- 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 = 44.1:
      O   HA    MET   11 - HN    MET   11   2.84 +/- 0.07  97.239% * 99.3074% (0.95  10.0   3.37  44.08) =  99.998%  kept
          HA    ALA   12 - HN    MET   11   5.29 +/- 0.45   2.723% *  0.0762% (0.73   1.0   0.02  12.01) =   0.002%
          HA    GLU-  14 - HN    MET   11  11.39 +/- 1.16   0.036% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  20.46 +/- 3.22   0.001% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  29.16 +/- 2.34   0.000% *  0.0969% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  31.56 +/- 2.83   0.000% *  0.0802% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  35.79 +/- 2.45   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  32.82 +/- 3.06   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  36.95 +/- 2.99   0.000% *  0.0721% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  38.98 +/- 2.81   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  33.20 +/- 2.91   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  39.60 +/- 3.41   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 2.81, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.66 +/- 0.26  42.586% * 68.6590% (0.71  10.0   2.38  12.45) =  62.146%  kept
      O   HA    MET   11 - HN    ALA   12   2.52 +/- 0.18  57.346% * 31.0568% (0.32  10.0   3.51  12.01) =  37.854%  kept
          HA    GLU-  14 - HN    ALA   12   8.20 +/- 0.65   0.068% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  26.15 +/- 1.99   0.000% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  30.39 +/- 2.77   0.000% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  34.64 +/- 2.48   0.000% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  28.81 +/- 2.73   0.000% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  33.20 +/- 1.77   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  36.54 +/- 2.23   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 1.72, residual support = 5.19:
      O   HA    ALA   12 - HN    SER   13   2.49 +/- 0.23  97.707% * 97.9904% (0.14  10.0   1.72   5.19) =  99.996%  kept
          HA    GLU-  14 - HN    SER   13   4.72 +/- 0.36   2.293% *  0.1668% (0.20   1.0   0.02   6.66) =   0.004%
          HA    PHE   59 - HN    SER   13  24.08 +/- 1.29   0.000% *  0.4434% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  28.79 +/- 1.88   0.000% *  0.4434% (0.53   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  32.15 +/- 1.62   0.000% *  0.8260% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  32.91 +/- 1.83   0.000% *  0.1300% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 7.24:
      O   QB    SER   13 - HN    SER   13   2.80 +/- 0.31  99.983% * 99.5044% (0.87  10.0   2.06   7.24) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  14.77 +/- 2.54   0.010% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  15.53 +/- 2.10   0.006% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  28.24 +/- 1.48   0.000% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  32.21 +/- 1.59   0.000% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  30.56 +/- 2.01   0.000% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.47, residual support = 50.1:
      O   HA    GLN   17 - HN    VAL   18   2.58 +/- 0.05  99.712% * 99.5491% (0.81  10.0   5.47  50.08) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.14 +/- 0.38   0.231% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  12.15 +/- 0.59   0.010% *  0.1100% (0.89   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18   9.96 +/- 0.82   0.034% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  14.01 +/- 1.17   0.004% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  13.20 +/- 0.74   0.006% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  17.63 +/- 2.11   0.002% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  18.94 +/- 1.39   0.001% *  0.0995% (0.81   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  20.70 +/- 1.93   0.000% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 77.1:
      O   HA    VAL   18 - HN    VAL   18   2.87 +/- 0.01  99.351% * 98.8751% (0.36  10.0   5.49  77.12) =  99.999%  kept
          HA1   GLY   16 - HN    VAL   18   6.72 +/- 0.08   0.606% *  0.1181% (0.43   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   18  11.20 +/- 0.97   0.033% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  16.29 +/- 1.42   0.004% *  0.2110% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  16.57 +/- 1.05   0.003% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  17.62 +/- 1.17   0.002% *  0.1492% (0.55   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  18.43 +/- 0.74   0.001% *  0.1083% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  23.08 +/- 0.73   0.000% *  0.0813% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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   2.42 +/- 0.12  98.687% * 99.4257% (0.67  10.0   2.10   6.66) =  99.999%  kept
          HA    GLU-  15 - HN    GLU-  14   5.17 +/- 0.51   1.283% *  0.0994% (0.67   1.0   0.02   0.88) =   0.001%
          HA    GLN   17 - HN    GLU-  14  10.01 +/- 0.62   0.023% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  14.05 +/- 2.30   0.004% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  16.74 +/- 1.90   0.001% *  0.0861% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  20.48 +/- 0.83   0.000% *  0.0975% (0.66   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  17.59 +/- 1.55   0.001% *  0.0204% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  24.06 +/- 1.33   0.000% *  0.0825% (0.56   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  21.65 +/- 2.60   0.000% *  0.0229% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  25.46 +/- 1.68   0.000% *  0.0159% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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   2.36 +/- 0.09  99.982% * 86.2129% (0.13   3.44  16.50) = 100.000%  kept
          HN    ALA   61 - HN    GLY   16  12.50 +/- 0.80   0.005% *  3.6729% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  12.04 +/- 1.97   0.012% *  0.5718% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  16.42 +/- 1.21   0.001% *  2.5454% (0.67   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  22.15 +/- 1.17   0.000% *  3.4208% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  25.66 +/- 0.91   0.000% *  3.5762% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.26 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   2.36 +/- 0.09 100.000% * 99.8536% (1.00 10.00   3.44  16.50) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  21.20 +/- 0.91   0.000% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  24.07 +/- 0.61   0.000% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 2.08, residual support = 6.13:
      O   HA    GLU-  15 - HN    GLY   16   2.68 +/- 0.12  97.080% * 76.7121% (0.47  10.0   2.07   6.05) =  99.163%  kept
          HA    GLN   17 - HN    GLY   16   4.87 +/- 0.09   2.774% * 22.6510% (0.97   1.0   2.90  16.50) =   0.837%  kept
          HA    SER   13 - HN    GLY   16   8.79 +/- 0.76   0.109% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  13.79 +/- 2.25   0.009% *  0.1562% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  12.33 +/- 1.07   0.011% *  0.1083% (0.67   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  12.55 +/- 1.40   0.012% *  0.0486% (0.30   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  15.09 +/- 0.95   0.003% *  0.0707% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  19.22 +/- 0.91   0.001% *  0.1521% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  23.05 +/- 1.83   0.000% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.795, support = 0.0199, residual support = 0.0199:
          HA    VAL   18 - HN    GLY   16   6.56 +/- 0.16  62.935% * 12.6997% (0.90   0.02   0.02) =  77.189%  kept
          HA    VAL   70 - HN    GLY   16   7.52 +/- 1.32  35.240% *  6.1679% (0.44   0.02   0.02) =  20.992%  kept
          HA    LYS+  33 - HN    GLY   16  13.98 +/- 2.28   1.124% * 10.5138% (0.75   0.02   0.02) =   1.141%  kept
          HA    GLU-  29 - HN    GLY   16  17.06 +/- 1.71   0.238% * 12.3380% (0.87   0.02   0.02) =   0.284%
          HA    GLN   32 - HN    GLY   16  17.09 +/- 2.11   0.256% *  9.4500% (0.67   0.02   0.02) =   0.233%
          HA    GLN  116 - HN    GLY   16  18.99 +/- 1.39   0.125% *  6.1679% (0.44   0.02   0.02) =   0.074%
          HA    SER   48 - HN    GLY   16  23.17 +/- 0.90   0.033% * 12.6997% (0.90   0.02   0.02) =   0.040%
          HB2   SER   82 - HN    GLY   16  25.73 +/- 1.19   0.017% * 13.2768% (0.94   0.02   0.02) =   0.022%
          HD2   PRO   52 - HN    GLY   16  25.05 +/- 0.84   0.020% *  6.6964% (0.47   0.02   0.02) =   0.013%
          HA    ALA   88 - HN    GLY   16  27.32 +/- 0.70   0.012% *  9.9899% (0.71   0.02   0.02) =   0.011%
    Distance limit 3.40 A violated in 20 structures by 2.60 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.978, support = 5.08, residual support = 82.2:
      O   HA    GLN   17 - HN    GLN   17   2.89 +/- 0.02  61.520% * 95.5848% (0.99  10.0   5.17  84.37) =  97.439%  kept
          HA    GLU-  15 - HN    GLN   17   3.16 +/- 0.29  38.400% *  4.0255% (0.49   1.0   1.72   0.02) =   2.561%  kept
          HA    SER   13 - HN    GLN   17   9.65 +/- 0.66   0.051% *  0.0469% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  12.36 +/- 0.81   0.011% *  0.0662% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  15.59 +/- 1.89   0.003% *  0.0956% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  13.44 +/- 0.84   0.007% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  13.71 +/- 1.11   0.006% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  17.60 +/- 0.94   0.001% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  21.40 +/- 1.97   0.001% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 84.4:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 99.1229% (0.70  10.0 10.00   1.00  84.37) = 100.000%  kept
        T HE21  GLN   17 - HE22  GLN   32  24.95 +/- 3.30   0.000% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  21.82 +/- 2.13   0.000% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  21.25 +/- 1.12   0.000% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  21.69 +/- 0.86   0.000% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  29.85 +/- 2.55   0.000% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  32.02 +/- 3.55   0.000% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  31.02 +/- 1.68   0.000% *  0.0078% (0.05   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 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.4:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 99.4952% (0.63  10.0   1.00  84.37) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  17.83 +/- 1.34   0.000% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  21.06 +/- 2.03   0.000% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  24.95 +/- 3.30   0.000% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  30.41 +/- 2.15   0.000% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 284 (4.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.243, support = 3.29, residual support = 18.1:
      O   HA1   GLY   16 - HN    GLN   17   3.22 +/- 0.03  91.480% * 63.1634% (0.22  10.0   3.26  16.50) =  95.218%  kept
          HA    VAL   18 - HN    GLN   17   4.82 +/- 0.11   8.179% * 35.4655% (0.65   1.0   3.86  50.08) =   4.780%  kept
          HA    VAL   70 - HN    GLN   17   8.84 +/- 1.14   0.289% *  0.2831% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   17  12.99 +/- 1.85   0.032% *  0.1493% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN   17  15.11 +/- 1.82   0.012% *  0.2370% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  17.34 +/- 1.29   0.004% *  0.1949% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  18.42 +/- 1.16   0.003% *  0.2831% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  21.23 +/- 0.99   0.001% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  24.82 +/- 0.90   0.000% *  0.1606% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 4.1:
          HA    LEU   73 - HN    ILE   19   2.66 +/- 0.60 100.000% *100.0000% (0.87   2.00   4.10) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.56, residual support = 21.2:
      O   HA    VAL   18 - HN    ILE   19   2.23 +/- 0.04  99.946% * 99.2246% (0.65  10.0   4.56  21.17) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19  10.14 +/- 0.77   0.014% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.49 +/- 0.46   0.034% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  14.20 +/- 0.87   0.002% *  0.1281% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  14.15 +/- 0.68   0.002% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  14.09 +/- 0.99   0.002% *  0.0807% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  17.83 +/- 1.15   0.000% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  16.48 +/- 0.82   0.001% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  19.24 +/- 0.78   0.000% *  0.0868% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 5.67, residual support = 123.9:
      O   HA    ILE   19 - HN    ILE   19   2.91 +/- 0.03  99.965% * 99.7071% (0.87  10.0   5.67 123.86) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  11.66 +/- 0.55   0.025% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  16.35 +/- 1.00   0.003% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  15.27 +/- 0.47   0.005% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  20.26 +/- 0.52   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  21.68 +/- 0.77   0.001% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 20.1:
      O   HA    ILE   19 - HN    ALA   20   2.28 +/- 0.05  99.985% * 99.7374% (0.97  10.0   5.10  20.07) = 100.000%  kept
          HA    THR   26 - HN    ALA   20  10.45 +/- 0.75   0.012% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  14.22 +/- 0.64   0.002% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  17.73 +/- 1.25   0.001% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  19.80 +/- 0.64   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  25.27 +/- 0.79   0.000% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 3.03, residual support = 14.9:
      O   HA    ALA   20 - HN    ALA   20   2.90 +/- 0.02  99.943% * 99.9455% (0.97  10.0   3.03  14.87) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20  10.22 +/- 0.62   0.057% *  0.0545% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 3.86, residual support = 10.1:
        T HN    LYS+  74 - HN    CYS   21   2.65 +/- 0.42  99.828% * 99.2410% (0.76 10.00   3.86  10.10) = 100.000%  kept
          HN    THR   46 - HN    CYS   21   8.82 +/- 0.62   0.115% *  0.1299% (1.00  1.00   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  17.35 +/- 0.77   0.002% *  0.3136% (0.24 10.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119  10.34 +/- 0.64   0.048% *  0.0102% (0.08  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  17.52 +/- 1.00   0.002% *  0.1228% (0.95  1.00   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  16.57 +/- 0.89   0.002% *  0.0410% (0.32  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  17.51 +/- 1.36   0.002% *  0.0388% (0.30  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  23.33 +/- 2.43   0.000% *  0.0534% (0.41  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  23.12 +/- 1.21   0.000% *  0.0324% (0.25  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  32.91 +/- 2.64   0.000% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 14.6:
      O   HA    ALA   20 - HN    CYS   21   2.22 +/- 0.01  99.991% * 99.8901% (0.95  10.0   2.96  14.63) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  10.90 +/- 0.60   0.008% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  15.65 +/- 1.29   0.001% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  19.77 +/- 0.87   0.000% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  20.76 +/- 1.00   0.000% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  17.87 +/- 1.49   0.000% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 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   2.79 +/- 0.03  99.990% * 99.8043% (0.83  10.0   3.84  41.03) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.39 +/- 0.99   0.009% *  0.0751% (0.63   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  21.11 +/- 0.79   0.001% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  25.75 +/- 0.58   0.000% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 6.52:
          HA    PHE   59 - HN    ASP-  62   3.55 +/- 0.23  99.018% * 92.4913% (0.52   1.50   6.52) =  99.987%  kept
          HA    ILE   56 - HN    ASP-  62   8.14 +/- 0.93   0.886% *  1.2332% (0.52   0.02   0.02) =   0.012%
          HA    ASP- 113 - HN    ASP-  62  14.21 +/- 1.05   0.030% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP-  62  12.72 +/- 0.78   0.057% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  18.74 +/- 0.94   0.005% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  23.48 +/- 0.86   0.001% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  21.98 +/- 0.80   0.002% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.39, residual support = 21.2:
          HN    THR   23 - HN    HIS   22   2.92 +/- 0.33  99.739% * 97.3202% (0.69   3.39  21.23) =  99.998%  kept
          HE3   TRP   27 - HN    HIS   22   8.68 +/- 0.81   0.202% *  0.8341% (1.00   0.02   0.02) =   0.002%
          HN    LYS+  81 - HN    HIS   22  10.77 +/- 0.54   0.047% *  0.1464% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    HIS   22  14.62 +/- 0.88   0.008% *  0.6071% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  20.62 +/- 2.38   0.003% *  0.8341% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  19.47 +/- 0.57   0.001% *  0.2580% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 5.24:
          HA    ALA   20 - HN    HIS   22   4.95 +/- 0.05  99.794% * 62.6587% (0.95   0.02   5.25) =  99.950%  kept
          HA    LEU   71 - HN    HIS   22  14.11 +/- 0.65   0.195% * 14.7469% (0.22   0.02   0.02) =   0.046%
          HA    LYS+ 102 - HN    HIS   22  22.91 +/- 1.16   0.011% * 22.5944% (0.34   0.02   0.02) =   0.004%
    Distance limit 3.79 A violated in 20 structures by 1.16 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.684, support = 3.81, residual support = 14.0:
        T HN    THR   26 - HN    THR   23   4.40 +/- 0.14  84.803% * 95.0384% (0.69 10.00   3.82  14.11) =  99.100%  kept
          HN    LEU   80 - HN    THR   23   6.09 +/- 0.74  15.096% *  4.8488% (0.34  1.00   2.05   7.56) =   0.900%  kept
          HN    ALA   34 - HN    THR   23  13.94 +/- 0.44   0.086% *  0.0345% (0.25  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  18.90 +/- 0.76   0.014% *  0.0783% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.06 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.39, residual support = 21.2:
        T HN    HIS   22 - HN    THR   23   2.92 +/- 0.33  97.000% * 99.9047% (0.99 10.00   3.39  21.23) =  99.997%  kept
          HN    ASP-  76 - HN    THR   23   5.90 +/- 0.64   3.000% *  0.0953% (0.95  1.00   0.02   0.02) =   0.003%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.49, residual support = 33.9:
        T HN    GLU-  25 - HN    VAL   24   2.73 +/- 0.15  98.951% * 99.8571% (0.98 10.00   7.49  33.87) = 100.000%  kept
          HN    ASN   28 - HN    VAL   24   5.89 +/- 0.13   1.035% *  0.0419% (0.41  1.00   0.02  11.41) =   0.000%
          HN    ASP-  44 - HN    VAL   24  12.21 +/- 0.60   0.014% *  0.1010% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 7.49, residual support = 33.9:
        T HN    VAL   24 - HN    GLU-  25   2.73 +/- 0.15 100.000% *100.0000% (1.00 10.00   7.49  33.87) = 100.000%  kept
    Distance limit 3.28 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 = 5.48, residual support = 28.7:
        T HN    THR   26 - HN    GLU-  25   2.92 +/- 0.04  99.998% * 99.9840% (0.97 10.00   5.48  28.65) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.07 +/- 0.71   0.002% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 5.47, residual support = 28.4:
        T HN    GLU-  25 - HN    THR   26   2.92 +/- 0.04  89.300% * 94.0918% (0.98 10.00   5.48  28.65) =  99.266%  kept
          HN    ASN   28 - HN    THR   26   4.17 +/- 0.11  10.685% *  5.8131% (0.41  1.00   2.95   0.02) =   0.734%  kept
          HN    ASP-  44 - HN    THR   26  12.57 +/- 0.52   0.015% *  0.0951% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 4.42, residual support = 22.1:
          HN    TRP   27 - HN    THR   26   2.63 +/- 0.08  99.985% * 98.4423% (0.99   4.42  22.09) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  13.23 +/- 0.62   0.007% *  0.2727% (0.61   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  17.07 +/- 0.39   0.001% *  0.2908% (0.65   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  15.95 +/- 0.65   0.002% *  0.1687% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  14.96 +/- 0.31   0.003% *  0.1121% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  20.02 +/- 0.68   0.001% *  0.3436% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  20.56 +/- 0.66   0.000% *  0.3088% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  20.66 +/- 1.67   0.001% *  0.0608% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.956, support = 3.81, residual support = 14.2:
          HN    THR   23 - HN    THR   26   4.40 +/- 0.14  94.271% * 69.5130% (0.97   3.82  14.11) =  98.194%  kept
          HE3   TRP   27 - HN    THR   26   7.44 +/- 0.10   4.129% * 29.1215% (0.49   3.18  22.09) =   1.802%  kept
          HD2   HIS   22 - HN    THR   26   8.79 +/- 0.30   1.502% *  0.1689% (0.45   0.02   0.02) =   0.004%
          QE    PHE   95 - HN    THR   26  17.61 +/- 0.78   0.024% *  0.3563% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  15.35 +/- 0.63   0.055% *  0.0510% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  21.99 +/- 0.76   0.006% *  0.3477% (0.92   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  21.38 +/- 1.62   0.008% *  0.2284% (0.61   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  24.71 +/- 1.93   0.004% *  0.2132% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.09 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.813, support = 4.04, residual support = 40.8:
          HN    THR   23 - HN    TRP   27   3.97 +/- 0.21  77.685% * 28.7861% (0.69   3.16   1.88) =  59.531%  kept
          HE3   TRP   27 - HN    TRP   27   4.93 +/- 0.12  21.562% * 70.5018% (1.00   5.34  97.98) =  40.469%  kept
          HN    LYS+  81 - HN    TRP   27  10.83 +/- 0.58   0.196% *  0.0464% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  10.33 +/- 1.10   0.315% *  0.0238% (0.09   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  15.49 +/- 0.75   0.023% *  0.1923% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  13.25 +/- 1.16   0.067% *  0.0327% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  22.90 +/- 1.72   0.003% *  0.2643% (1.00   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  16.15 +/- 0.98   0.019% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  12.09 +/- 0.75   0.109% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  19.99 +/- 0.79   0.005% *  0.0818% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  17.02 +/- 0.70   0.013% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  23.64 +/- 1.24   0.002% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.42, residual support = 22.1:
        T HN    THR   26 - HN    TRP   27   2.63 +/- 0.08  99.994% * 99.8587% (0.97 10.00   4.42  22.09) = 100.000%  kept
          HN    LEU   71 - HN    TRP   27  14.05 +/- 0.75   0.005% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
        T HN    THR   26 - HN    ALA   91  20.02 +/- 0.68   0.001% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  22.26 +/- 0.78   0.000% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.75, residual support = 32.1:
        T HN    GLN   90 - HN    ALA   91   2.24 +/- 0.42  99.837% * 91.0962% (0.12 10.00   6.75  32.06) = 100.000%  kept
        T HN    GLN   90 - HN    TRP   27  16.16 +/- 1.04   0.002% *  7.3725% (0.95 10.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    ALA   91   7.65 +/- 1.44   0.135% *  0.0507% (0.07  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  10.58 +/- 0.73   0.016% *  0.1735% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.15 +/- 1.42   0.001% *  0.7794% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.42 +/- 0.69   0.009% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.41 +/- 0.77   0.000% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  19.19 +/- 1.67   0.001% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.91, residual support = 46.6:
        T HN    ASN   28 - HN    TRP   27   2.76 +/- 0.08  91.521% * 99.7328% (0.99 10.00   4.91  46.61) =  99.996%  kept
          HN    GLU-  25 - HN    TRP   27   4.11 +/- 0.12   8.426% *  0.0378% (0.38  1.00   0.02   0.27) =   0.003%
          HN    ASP-  44 - HN    TRP   27  10.13 +/- 0.56   0.041% *  0.0414% (0.41  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  18.73 +/- 0.66   0.001% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.96 +/- 0.52   0.009% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  20.03 +/- 0.83   0.001% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  19.05 +/- 0.75   0.001% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  26.55 +/- 1.04   0.000% *  0.0061% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 2.0, residual support = 98.0:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.954% * 99.6426% (0.76  10.0   2.00  97.98) = 100.000%  kept
          HE21  GLN   30 - HE1   TRP   27   9.97 +/- 1.01   0.044% *  0.1295% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE1   TRP   27  17.48 +/- 1.35   0.001% *  0.0999% (0.76   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  22.15 +/- 2.26   0.000% *  0.1281% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 1.2, residual support = 98.0:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.997% * 99.8194% (0.45  10.0   1.20  97.98) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  17.04 +/- 1.42   0.003% *  0.1806% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.969, support = 4.82, residual support = 31.4:
          HN    GLU-  29 - HN    ASN   28   2.67 +/- 0.06  87.869% * 66.5233% (0.98   4.94  33.00) =  93.579%  kept
          HN    GLN   30 - HN    ASN   28   3.73 +/- 0.11  12.116% * 33.1028% (0.80   3.01   8.29) =   6.421%  kept
          HN    ASP-  86 - HN    ASN   28  11.83 +/- 0.61   0.013% *  0.2384% (0.87   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  16.97 +/- 0.51   0.001% *  0.0372% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  19.15 +/- 1.94   0.001% *  0.0612% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  20.52 +/- 1.75   0.000% *  0.0372% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.91, residual support = 46.6:
          HN    TRP   27 - HN    ASN   28   2.76 +/- 0.08  99.937% * 98.5963% (0.99   4.91  46.61) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28  10.88 +/- 0.64   0.029% *  0.2457% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  12.57 +/- 0.72   0.012% *  0.1521% (0.38   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  14.47 +/- 0.29   0.005% *  0.2621% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  12.43 +/- 0.28   0.012% *  0.1010% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  18.73 +/- 0.66   0.001% *  0.3096% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  20.12 +/- 0.62   0.001% *  0.2783% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  16.74 +/- 1.72   0.003% *  0.0548% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 315 (7.17, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.07, residual support = 46.6:
          HD1   TRP   27 - HN    ASN   28   3.61 +/- 0.38  98.463% * 98.0253% (0.41   5.07  46.61) =  99.989%  kept
          HE21  GLN   30 - HN    ASN   28   7.83 +/- 1.07   1.531% *  0.7192% (0.76   0.02   8.29) =   0.011%
          QD    PHE   59 - HN    ASN   28  19.64 +/- 1.41   0.005% *  0.3869% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  25.15 +/- 2.19   0.001% *  0.8687% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 2.31, residual support = 93.2:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.9543% (0.98  10.0   2.31  93.25) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  15.95 +/- 0.88   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 = 2.77:
          HA    GLU-  25 - HD21  ASN   28   4.55 +/- 0.11  98.815% * 96.5836% (1.00   1.27   2.77) =  99.989%  kept
          HA    SER   82 - HD21  ASN   28   9.96 +/- 1.11   1.083% *  0.8642% (0.57   0.02   0.02) =   0.010%
          HA    ILE   19 - HD21  ASN   28  14.79 +/- 0.69   0.092% *  1.4439% (0.95   0.02   0.02) =   0.001%
          HA    CYS   53 - HD21  ASN   28  21.29 +/- 0.79   0.010% *  1.1084% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.31 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.833, support = 5.68, residual support = 92.1:
      O   HA    ASN   28 - HN    ASN   28   2.79 +/- 0.03  92.754% * 86.0408% (0.84  10.0   5.70  93.25) =  98.791%  kept
          HA    THR   26 - HN    ASN   28   4.30 +/- 0.16   7.224% * 13.5155% (0.65   1.0   4.06   0.02) =   1.209%  kept
          HA    ALA   34 - HN    ASN   28  12.01 +/- 0.26   0.015% *  0.0994% (0.97   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  15.46 +/- 3.07   0.007% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  22.84 +/- 0.75   0.000% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  26.60 +/- 1.01   0.000% *  0.0974% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  23.61 +/- 2.15   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  29.57 +/- 2.73   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.906, support = 4.65, residual support = 92.2:
      O   HA    TRP   27 - HN    TRP   27   2.76 +/- 0.03  58.398% * 90.4766% (0.97  10.0   4.81  97.98) =  93.198%  kept
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.03  41.571% *  9.2758% (0.10  10.0   2.46  12.88) =   6.802%  kept
          HA    PRO   52 - HN    ALA   91  11.97 +/- 1.71   0.012% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  12.05 +/- 1.41   0.011% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  19.47 +/- 0.83   0.000% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.26 +/- 0.64   0.000% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  13.59 +/- 1.54   0.005% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  17.72 +/- 0.56   0.001% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.32 +/- 0.99   0.000% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.53 +/- 0.64   0.000% *  0.0186% (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 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.42, residual support = 22.1:
          HB    THR   26 - HN    TRP   27   3.16 +/- 0.20  99.924% * 98.9965% (0.99   4.42  22.09) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  12.35 +/- 0.78   0.034% *  0.0792% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  21.84 +/- 0.62   0.001% *  0.4363% (0.97   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.15 +/- 0.80   0.037% *  0.0098% (0.02   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  27.07 +/- 0.82   0.000% *  0.3283% (0.73   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  20.26 +/- 0.69   0.002% *  0.0554% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  20.58 +/- 1.77   0.002% *  0.0406% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  21.92 +/- 1.02   0.001% *  0.0539% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 322 (4.77, 8.12, 116.43 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    THR   26  23.64 +/- 0.52 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.26 A violated in 20 structures by 19.38 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.195, support = 4.27, residual support = 34.4:
      O   HB    THR   26 - HN    THR   26   2.01 +/- 0.08  97.125% * 21.3631% (0.15  10.0   4.16  35.04) =  90.215%  kept
      O   HA    GLU-  25 - HN    THR   26   3.63 +/- 0.01   2.871% * 78.3875% (0.57  10.0   5.26  28.65) =   9.785%  kept
          HA    SER   82 - HN    THR   26  13.09 +/- 0.80   0.001% *  0.1381% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    THR   26  12.09 +/- 0.52   0.002% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  23.79 +/- 0.61   0.000% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  22.44 +/- 0.82   0.000% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.743, support = 2.6, residual support = 5.98:
          HB    THR   23 - HN    GLU-  25   3.41 +/- 0.58  69.530% * 31.2844% (0.53   2.41   5.98) =  52.286%  kept
          HA    THR   23 - HN    GLU-  25   4.01 +/- 0.16  29.283% * 67.7743% (0.98   2.81   5.98) =  47.704%  kept
          HA    LEU   80 - HN    GLU-  25   7.03 +/- 0.63   1.170% *  0.3384% (0.69   0.02   0.02) =   0.010%
          HA    ASP-  78 - HN    GLU-  25  13.94 +/- 0.57   0.017% *  0.4660% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    GLU-  25  23.98 +/- 0.57   0.001% *  0.1370% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.81, residual support = 125.9:
      O   HA    GLU-  25 - HN    GLU-  25   2.71 +/- 0.02  99.965% * 99.7793% (0.87  10.0   5.81 125.88) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  10.71 +/- 0.84   0.030% *  0.1032% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  14.52 +/- 0.49   0.004% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  22.70 +/- 0.78   0.000% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.723, support = 4.44, residual support = 17.3:
      O   HA    THR   23 - HN    VAL   24   2.20 +/- 0.05  91.570% * 92.3410% (0.73  10.0   4.43  17.30) =  99.411%  kept
          HB    THR   23 - HN    VAL   24   3.56 +/- 0.36   6.690% *  7.4706% (0.22   1.0   5.28  17.30) =   0.588%  kept
          HA    LEU   80 - HN    VAL   24   4.55 +/- 0.61   1.730% *  0.0434% (0.34   1.0   0.02   9.65) =   0.001%
          HA    ASP-  78 - HN    VAL   24  11.26 +/- 0.60   0.005% *  0.1227% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  11.50 +/- 0.62   0.005% *  0.0223% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.719, support = 3.07, residual support = 18.7:
      O   HA    THR   23 - HN    THR   23   2.91 +/- 0.03  79.848% * 37.7551% (0.61  10.0   3.04  18.71) =  71.153%  kept
      O   HB    THR   23 - HN    THR   23   3.68 +/- 0.11  19.678% * 62.1094% (1.00  10.0   3.16  18.71) =  28.846%  kept
          HA    LEU   80 - HN    THR   23   6.99 +/- 0.46   0.453% *  0.0589% (0.95   1.0   0.02   7.56) =   0.001%
          HA    ASP-  78 - HN    THR   23  11.63 +/- 0.51   0.020% *  0.0192% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  22.42 +/- 0.62   0.000% *  0.0575% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.728, support = 0.02, residual support = 0.02:
          HA    ALA   20 - HN    THR   23   6.94 +/- 0.19  98.535% * 46.5057% (0.73   0.02   0.02) =  98.319%  kept
          HA    LEU   71 - HN    THR   23  14.22 +/- 0.72   1.465% * 53.4943% (0.84   0.02   0.02) =   1.681%  kept
    Distance limit 3.83 A violated in 20 structures by 3.09 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.25, residual support = 14.1:
          HB    THR   26 - HN    THR   23   3.72 +/- 0.09  99.911% * 98.3538% (0.99   2.25  14.11) = 100.000%  kept
          HA    SER   82 - HN    THR   23  12.24 +/- 0.62   0.085% *  0.1545% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  20.94 +/- 0.50   0.003% *  0.8513% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  27.30 +/- 1.03   0.001% *  0.6405% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.16 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.31, residual support = 93.2:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.859% * 99.7763% (0.98  10.0   2.31  93.25) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28   5.56 +/- 0.75   0.140% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  13.93 +/- 1.09   0.000% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  20.87 +/- 0.90   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  23.28 +/- 1.24   0.000% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.94, residual support = 33.0:
        T HN    ASN   28 - HN    GLU-  29   2.67 +/- 0.06  99.040% * 99.7796% (0.76 10.00   4.94  33.00) =  99.999%  kept
          HN    GLU-  25 - HN    GLU-  29   5.82 +/- 0.23   0.951% *  0.0948% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    GLU-  29  12.86 +/- 0.50   0.008% *  0.0998% (0.76  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  20.22 +/- 0.63   0.001% *  0.0258% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 7.07, residual support = 52.0:
        T HN    LEU   31 - HN    GLN   30   2.47 +/- 0.07  99.989% * 98.4622% (0.73 10.00   7.07  51.98) = 100.000%  kept
        T HN    PHE   55 - HN    GLN   30  25.69 +/- 1.58   0.000% *  1.3086% (0.97 10.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  17.09 +/- 0.50   0.001% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  12.09 +/- 0.77   0.008% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  20.65 +/- 0.71   0.000% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  24.74 +/- 1.35   0.000% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  17.40 +/- 1.06   0.001% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.48 +/- 1.02   0.000% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  25.38 +/- 0.93   0.000% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.72 +/- 1.00   0.000% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.83, residual support = 45.3:
        T HN    LEU   31 - HN    GLN   32   2.65 +/- 0.13  99.926% * 99.0995% (0.98 10.00   5.83  45.30) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   8.90 +/- 0.13   0.072% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  28.40 +/- 1.49   0.000% *  0.6945% (0.69 10.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  22.76 +/- 0.75   0.000% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  18.30 +/- 0.56   0.001% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.68 +/- 1.32   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 44.4:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00 100.000% * 99.4510% (0.87  10.0   1.00  44.38) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  24.95 +/- 2.90   0.000% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  28.16 +/- 3.30   0.000% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  24.77 +/- 1.97   0.000% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  33.65 +/- 2.25   0.000% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.58 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 = 44.4:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  99.955% * 98.9152% (0.83  10.0 10.00   1.00  44.38) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90   8.33 +/- 2.47   0.044% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  17.73 +/- 2.53   0.000% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  20.46 +/- 1.33   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  13.55 +/- 0.73   0.000% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  28.16 +/- 3.30   0.000% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  19.23 +/- 1.72   0.000% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  24.95 +/- 2.90   0.000% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  19.85 +/- 2.12   0.000% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  27.51 +/- 0.98   0.000% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  24.66 +/- 1.32   0.000% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  32.78 +/- 1.49   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  32.63 +/- 1.86   0.000% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  25.22 +/- 1.39   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  26.16 +/- 1.85   0.000% *  0.0141% (0.12   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 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.88, residual support = 51.9:
          HN    GLU-  36 - HN    ASN   35   2.31 +/- 0.03  98.974% * 98.7867% (0.90   5.88  51.92) =  99.996%  kept
          HN    THR   39 - HN    ASN   35   4.99 +/- 0.21   1.010% *  0.3618% (0.97   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HN    ASN   35  11.10 +/- 1.51   0.012% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.64 +/- 0.23   0.004% *  0.1541% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  17.56 +/- 0.57   0.001% *  0.3674% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  25.45 +/- 0.65   0.000% *  0.0578% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 55.5:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  55.46) = 100.000%  kept
    Distance limit 2.48 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 = 55.5:
      O   HA    ASN   35 - HN    ASN   35   2.85 +/- 0.01  99.681% * 99.5029% (0.98  10.0   4.55  55.46) = 100.000%  kept
          HA    LYS+  99 - HN    ASN   35   9.01 +/- 1.08   0.120% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ASN   35   8.13 +/- 0.29   0.189% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  14.86 +/- 1.69   0.006% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  17.40 +/- 2.50   0.003% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  22.47 +/- 3.24   0.001% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  27.41 +/- 1.90   0.000% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  25.31 +/- 0.97   0.000% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.79 +/- 0.88   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.44, residual support = 157.0:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  99.982% * 99.6989% (0.90  10.0   2.44 157.03) = 100.000%  kept
          HD1   TRP   27 - HE22  GLN   30   7.68 +/- 0.87   0.017% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  16.16 +/- 1.80   0.000% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  24.72 +/- 2.47   0.000% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 343 (6.64, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.44, residual support = 157.0:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00 100.000% * 99.8775% (0.92  10.0 10.00   2.44 157.03) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  14.87 +/- 2.03   0.000% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  21.13 +/- 1.87   0.000% *  0.0569% (0.53   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 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.264, support = 0.0198, residual support = 0.0198:
          HA    VAL   42 - HN    GLN   30  11.41 +/- 0.42  10.113% *  6.4793% (0.25   0.02   0.02) =  53.506%  kept
          HA    VAL   42 - HN    LYS+  99   7.84 +/- 0.67  85.736% *  0.4257% (0.02   0.02   0.02) =  29.802%  kept
          HA    GLN   90 - HN    GLN   30  19.30 +/- 1.00   0.436% * 25.0767% (0.97   0.02   0.02) =   8.938%  kept
          HA    ALA  110 - HN    GLN   30  24.68 +/- 1.51   0.100% * 25.9267% (1.00   0.02   0.02) =   2.120%  kept
          HA    VAL  107 - HN    GLN   30  21.63 +/- 0.59   0.215% *  8.8635% (0.34   0.02   0.02) =   1.558%  kept
          HA    PHE   55 - HN    GLN   30  27.15 +/- 2.35   0.073% * 21.7040% (0.84   0.02   0.02) =   1.286%  kept
          HA    VAL  107 - HN    LYS+  99  14.40 +/- 0.30   2.427% *  0.5823% (0.02   0.02   0.02) =   1.154%  kept
          HA    ALA   91 - HN    GLN   30  22.48 +/- 0.76   0.171% *  5.7850% (0.22   0.02   0.02) =   0.809%  kept
          HA    ALA  110 - HN    LYS+  99  20.58 +/- 0.96   0.290% *  1.7034% (0.07   0.02   0.02) =   0.403%
          HA    GLN   90 - HN    LYS+  99  21.48 +/- 0.70   0.223% *  1.6475% (0.06   0.02   0.02) =   0.299%
          HA    PHE   55 - HN    LYS+  99  26.17 +/- 1.27   0.067% *  1.4259% (0.05   0.02   0.02) =   0.078%
          HA    ALA   91 - HN    LYS+  99  22.96 +/- 0.55   0.149% *  0.3801% (0.01   0.02   0.02) =   0.046%
    Distance limit 4.16 A violated in 20 structures by 3.48 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.814, support = 4.73, residual support = 41.5:
          HN    ALA   34 - HN    LYS+  33   2.48 +/- 0.09  65.326% * 79.2995% (0.90   4.66  45.46) =  88.216%  kept
          HN    GLN   32 - HN    LYS+  33   2.75 +/- 0.05  34.674% * 19.9576% (0.20   5.31  11.65) =  11.784%  kept
          HN    LEU   80 - HN    LYS+  33  17.70 +/- 0.71   0.001% *  0.3665% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  27.42 +/- 0.97   0.000% *  0.3764% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 55.5:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 99.5403% (0.73  10.0   2.00  55.46) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  21.89 +/- 1.02   0.000% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  19.12 +/- 1.08   0.000% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  21.77 +/- 0.89   0.000% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  20.76 +/- 1.62   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  31.56 +/- 1.94   0.000% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 51.9:
        T HN    ASN   35 - HN    GLU-  36   2.31 +/- 0.03  99.995% * 99.7986% (0.99 10.00   5.88  51.92) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  12.31 +/- 0.59   0.005% *  0.1363% (0.14 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  18.47 +/- 3.31   0.001% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.336, support = 3.59, residual support = 15.3:
          HN    GLU-  36 - HN    SER   37   2.44 +/- 0.07  83.872% * 39.6663% (0.25   3.97  18.85) =  78.214%  kept
          HN    THR   39 - HN    SER   37   3.23 +/- 0.09  16.121% * 57.4832% (0.65   2.22   2.67) =  21.786%  kept
          HN    TRP   27 - HN    SER   37  15.22 +/- 0.23   0.001% *  0.7937% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  12.69 +/- 1.37   0.005% *  0.1084% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  20.62 +/- 0.46   0.000% *  0.4857% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  19.19 +/- 0.48   0.000% *  0.3006% (0.38   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  22.60 +/- 1.05   0.000% *  0.5501% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  28.13 +/- 0.55   0.000% *  0.6120% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.936, support = 5.22, residual support = 22.4:
          HN    THR   39 - HN    LYS+  38   2.57 +/- 0.07  87.801% * 83.2687% (0.95   5.31  22.95) =  97.443%  kept
          HN    GLU-  36 - HN    LYS+  38   3.58 +/- 0.05  12.181% * 15.7530% (0.57   1.68   0.63) =   2.557%  kept
          HN    LYS+ 102 - HN    LYS+  38  11.27 +/- 1.34   0.016% *  0.1245% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  16.17 +/- 0.25   0.001% *  0.2534% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  20.58 +/- 0.56   0.000% *  0.3061% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  18.74 +/- 0.55   0.001% *  0.0449% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  22.63 +/- 1.00   0.000% *  0.1131% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  27.99 +/- 0.62   0.000% *  0.1363% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 51.2:
      O   HA    ASN   35 - HN    GLU-  36   3.58 +/- 0.01  88.069% * 83.7590% (0.38  10.0   4.70  51.92) =  97.725%  kept
          HA    SER   37 - HN    GLU-  36   5.02 +/- 0.06  11.498% * 14.9316% (0.38   1.0   3.57  18.85) =   2.275%  kept
          HA    LEU   40 - HN    GLU-  36   9.58 +/- 0.20   0.241% *  0.2232% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  36  10.66 +/- 1.14   0.147% *  0.0556% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    GLU-  36  14.96 +/- 1.88   0.023% *  0.2111% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  16.66 +/- 2.64   0.014% *  0.2111% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  18.76 +/- 1.60   0.005% *  0.0838% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  23.50 +/- 3.43   0.002% *  0.1174% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  26.68 +/- 1.02   0.001% *  0.2154% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  25.01 +/- 0.55   0.001% *  0.1001% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  29.11 +/- 1.87   0.000% *  0.0917% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  21.91 +/- 0.96   0.000% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  24.55 +/- 0.63   0.000% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  24.91 +/- 3.94   0.000% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 26.9:
      O   HA    SER   37 - HN    SER   37   2.92 +/- 0.00  99.793% * 99.4774% (0.97  10.0   4.08  26.90) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.44 +/- 0.10   0.171% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  13.78 +/- 1.84   0.013% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  15.42 +/- 2.59   0.008% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.21 +/- 0.23   0.012% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  17.60 +/- 1.67   0.003% *  0.0995% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  25.10 +/- 0.48   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  25.75 +/- 1.07   0.000% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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  99.997% * 99.6452% (0.34  10.0   4.29  18.85) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  20.15 +/- 1.02   0.003% *  0.2819% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  25.68 +/- 0.54   0.001% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 +/- 0.02  98.954% * 99.2058% (0.73  10.0   4.82  13.65) =  99.999%  kept
          HA    LEU   40 - HN    LYS+  38   7.35 +/- 0.08   0.968% *  0.1141% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LYS+  38  14.63 +/- 1.73   0.021% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  16.56 +/- 2.55   0.012% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.79 +/- 0.16   0.035% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  18.05 +/- 1.60   0.005% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  20.77 +/- 3.52   0.004% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  25.76 +/- 1.02   0.001% *  0.1292% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  25.23 +/- 0.36   0.001% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  28.21 +/- 1.79   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 0.632, residual support = 0.632:
          HA    GLU-  36 - HN    LYS+  38   4.19 +/- 0.05  99.977% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    ALA  124 - HN    LYS+  38  21.84 +/- 4.08   0.012% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  66 - HN    LYS+  38  19.85 +/- 0.87   0.009% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  26.08 +/- 0.56   0.002% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  30.07 +/- 1.87   0.001% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 3.69, residual support = 37.2:
      O   HA    THR   39 - HN    THR   39   2.86 +/- 0.01  99.982% * 99.4345% (1.00  10.0   3.69  37.19) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  13.12 +/- 0.74   0.011% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  18.42 +/- 3.62   0.004% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  16.91 +/- 0.25   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  23.37 +/- 1.75   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  25.69 +/- 0.55   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  25.35 +/- 0.50   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  25.61 +/- 0.91   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  32.28 +/- 0.97   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 358 (4.27, 8.88, 128.13 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.03, residual support = 23.7:
      O   HA    THR   39 - HN    LEU   40   2.29 +/- 0.02  99.989% * 99.4345% (1.00  10.0   4.03  23.66) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.95 +/- 0.48   0.009% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.18 +/- 0.22   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  20.04 +/- 3.19   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  20.00 +/- 1.65   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  25.26 +/- 0.55   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  24.03 +/- 0.99   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  24.37 +/- 0.65   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  29.37 +/- 0.96   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 5.23, residual support = 102.5:
      O   HA    LEU   40 - HN    LEU   40   2.80 +/- 0.02  97.587% * 99.4414% (1.00  10.0   5.23 102.48) =  99.999%  kept
          HA    LYS+  99 - HN    LEU   40   5.56 +/- 0.91   2.066% *  0.0248% (0.25   1.0   0.02  12.23) =   0.001%
          HA    ASN   35 - HN    LEU   40   8.20 +/- 0.27   0.158% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    LEU   40   8.52 +/- 0.09   0.122% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  11.86 +/- 1.26   0.022% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  14.08 +/- 3.41   0.029% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  15.80 +/- 2.18   0.005% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  13.32 +/- 1.33   0.010% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  19.71 +/- 0.94   0.001% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  20.82 +/- 0.32   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  22.08 +/- 1.77   0.000% *  0.0409% (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 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.52, residual support = 73.9:
      O   HA    VAL   41 - HN    VAL   41   2.91 +/- 0.01  99.992% * 99.4222% (0.22  10.0   4.52  73.90) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.84 +/- 0.26   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  18.51 +/- 0.58   0.002% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  23.61 +/- 0.67   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.01, residual support = 19.8:
      O   HA    LEU   40 - HN    VAL   41   2.25 +/- 0.04  85.486% * 99.4414% (1.00  10.0   5.01  19.83) =  99.996%  kept
          HA    LYS+  99 - HN    VAL   41   3.23 +/- 0.76  14.454% *  0.0248% (0.25   1.0   0.02   0.02) =   0.004%
          HA    ASN   35 - HN    VAL   41   7.90 +/- 0.41   0.048% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  11.11 +/- 0.22   0.006% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  14.26 +/- 1.23   0.002% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  15.63 +/- 2.67   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  14.91 +/- 1.07   0.001% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  18.97 +/- 2.09   0.000% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  19.53 +/- 0.95   0.000% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  18.32 +/- 0.30   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  20.84 +/- 1.73   0.000% *  0.0409% (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 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.04, residual support = 28.7:
        T HN    LEU   98 - HN    VAL   41   3.58 +/- 0.96 100.000% *100.0000% (0.97 10.00   5.04  28.75) = 100.000%  kept
    Distance limit 4.04 A violated in 1 structures by 0.19 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.47, residual support = 5.48:
          HA    PHE   72 - HN    VAL   42   4.16 +/- 0.50 100.000% *100.0000% (0.22   1.47   5.48) = 100.000%  kept
    Distance limit 4.08 A violated in 1 structures by 0.23 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.01, residual support = 22.6:
      O   HA    VAL   41 - HN    VAL   42   2.19 +/- 0.00  99.994% * 99.4222% (0.22  10.0   5.01  22.61) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.34 +/- 0.17   0.005% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  15.31 +/- 0.47   0.001% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  20.25 +/- 0.51   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.42, residual support = 88.7:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.01  99.945% * 99.6568% (0.87  10.0   5.42  88.74) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  11.60 +/- 0.86   0.029% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  12.64 +/- 0.42   0.016% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.87 +/- 0.33   0.006% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  18.15 +/- 0.78   0.002% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  18.51 +/- 1.80   0.002% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  21.52 +/- 1.74   0.001% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 5.07, residual support = 41.3:
      O   HA    VAL   42 - HN    VAL   43   2.20 +/- 0.02  99.989% * 99.7026% (1.00  10.0   5.07  41.31) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.53 +/- 0.14   0.005% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  13.15 +/- 0.71   0.002% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  14.42 +/- 0.76   0.001% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  14.63 +/- 1.64   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.81 +/- 0.26   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  18.51 +/- 1.30   0.000% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 2.76, residual support = 6.15:
          HA    LYS+  74 - HN    ASP-  44   3.55 +/- 0.26  99.358% * 96.0108% (0.28   2.76   6.15) =  99.996%  kept
          HA    VAL   41 - HN    ASP-  44   8.50 +/- 0.26   0.574% *  0.4961% (0.20   0.02   0.02) =   0.003%
          HA    MET   92 - HN    ASP-  44  13.04 +/- 1.06   0.053% *  2.1744% (0.87   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    ASP-  44  15.81 +/- 1.45   0.015% *  1.3188% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.09 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.71, residual support = 15.2:
      O   HA    VAL   43 - HN    ASP-  44   2.19 +/- 0.02  99.963% * 99.8182% (0.87  10.0   3.71  15.15) = 100.000%  kept
          HA    HIS   22 - HN    ASP-  44   9.34 +/- 0.74   0.019% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ASP-  44   9.44 +/- 0.59   0.017% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  15.24 +/- 0.58   0.001% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 +/- 0.00  99.924% * 98.9185% (0.49  10.0   3.77  37.79) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.58 +/- 0.96   0.034% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  14.34 +/- 0.46   0.007% *  0.2028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  12.38 +/- 0.84   0.018% *  0.0627% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  14.79 +/- 0.70   0.006% *  0.1396% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  17.44 +/- 1.25   0.003% *  0.1992% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  14.68 +/- 0.54   0.006% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  23.24 +/- 1.85   0.000% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  25.41 +/- 2.26   0.000% *  0.1069% (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 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.0:
        T HN    THR   94 - HN    PHE   45   3.54 +/- 0.39  99.864% * 99.8815% (0.84 10.00   3.30  27.03) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  10.83 +/- 0.48   0.136% *  0.1185% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.62, residual support = 80.4:
          QD    PHE   45 - HN    PHE   45   2.06 +/- 0.35  99.997% * 98.5418% (0.53   5.62  80.43) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.47 +/- 1.07   0.003% *  0.6429% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  17.20 +/- 1.67   0.001% *  0.6301% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  18.56 +/- 1.26   0.000% *  0.1852% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   3.67 +/- 0.52 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.01, residual support = 80.4:
      O   HA    PHE   45 - HN    PHE   45   2.94 +/- 0.00  99.960% * 99.9134% (0.99  10.0   4.01  80.43) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  12.26 +/- 0.16   0.019% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  12.38 +/- 0.59   0.019% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.12 +/- 1.08   0.003% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 19.2:
      O   HA    ASP-  44 - HN    PHE   45   2.29 +/- 0.01  99.886% * 99.3093% (1.00  10.0   4.04  19.16) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   8.86 +/- 0.92   0.052% *  0.0984% (0.99   1.0   0.02   8.43) =   0.000%
          HA    ALA   57 - HN    PHE   45   8.99 +/- 1.45   0.049% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    PHE   45  12.72 +/- 0.67   0.004% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  13.57 +/- 0.81   0.002% *  0.0939% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  13.43 +/- 0.47   0.003% *  0.0602% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  13.69 +/- 0.56   0.002% *  0.0445% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.15 +/- 0.80   0.002% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.33 +/- 0.23   0.000% *  0.0522% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  21.17 +/- 1.25   0.000% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  29.45 +/- 2.16   0.000% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  27.13 +/- 1.78   0.000% *  0.0483% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.42, residual support = 12.5:
          QD    PHE   45 - HN    THR   46   4.49 +/- 0.11  99.682% * 94.4403% (0.22   4.42  12.49) =  99.998%  kept
          HE22  GLN   90 - HN    THR   46  12.83 +/- 1.63   0.241% *  0.2964% (0.15   0.02   0.02) =   0.001%
          HD2   HIS  122 - HN    THR   46  17.45 +/- 1.13   0.032% *  1.8170% (0.95   0.02   0.02) =   0.001%
          HE22  GLN  116 - HN    THR   46  20.14 +/- 2.03   0.016% *  1.8537% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    THR   46  18.47 +/- 1.53   0.024% *  1.1650% (0.61   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  23.93 +/- 0.97   0.005% *  0.4276% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.10 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.74, residual support = 3.94:
          HA    ASP-  76 - HN    THR   46   3.20 +/- 0.54  99.997% * 98.8090% (0.53   2.74   3.94) = 100.000%  kept
          HA    LEU   67 - HN    THR   46  19.41 +/- 0.93   0.003% *  1.1910% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.97, residual support = 12.5:
      O   HA    PHE   45 - HN    THR   46   2.29 +/- 0.05  99.947% * 99.9017% (0.76  10.0   3.97  12.49) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   8.53 +/- 0.62   0.045% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  11.66 +/- 0.64   0.006% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  15.25 +/- 0.31   0.001% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.321% * 99.4016% (0.57  10.0   3.25  34.51) = 100.000%  kept
          HA    GLN   90 - HN    THR   46   7.57 +/- 1.54   0.620% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    THR   46  12.40 +/- 0.17   0.018% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  13.56 +/- 1.46   0.015% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  12.57 +/- 1.90   0.022% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  15.59 +/- 0.91   0.005% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  25.34 +/- 0.51   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 3.61, residual support = 12.0:
          HN    THR   77 - HN    THR   46   3.44 +/- 0.47 100.000% *100.0000% (1.00   3.61  11.96) = 100.000%  kept
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.894, support = 2.34, residual support = 10.9:
      O   HA    ALA   47 - HN    ALA   47   2.93 +/- 0.01  62.869% * 96.8065% (0.90  10.0   2.36  11.01) =  98.255%  kept
          HA    CYS   50 - HN    ALA   47   3.95 +/- 1.84  36.766% *  2.9393% (0.73   1.0   0.75   6.76) =   1.745%  kept
          HA    TRP   49 - HN    ALA   47   6.97 +/- 0.33   0.338% *  0.0568% (0.53   1.0   0.02  16.09) =   0.000%
          HA    VAL  108 - HN    ALA   47  11.80 +/- 0.76   0.016% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ALA   47  13.55 +/- 1.02   0.007% *  0.0741% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  14.58 +/- 0.73   0.004% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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   2.57 +/- 0.08  99.711% * 99.4016% (0.57  10.0   3.07  12.67) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47   8.28 +/- 1.65   0.235% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  10.60 +/- 1.17   0.030% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47  11.42 +/- 1.96   0.022% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.91 +/- 0.14   0.002% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  17.49 +/- 1.15   0.001% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  29.28 +/- 0.60   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.23, residual support = 14.6:
        T HN    TRP   49 - HN    SER   48   2.66 +/- 0.14  90.788% * 94.4228% (0.84 10.00   4.24  14.64) =  99.412%  kept
          HN    CYS   50 - HN    SER   48   4.07 +/- 0.53   9.205% *  5.5084% (0.61  1.00   1.61   0.02) =   0.588%  kept
          HN    VAL   83 - HN    SER   48  13.40 +/- 0.95   0.006% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  19.08 +/- 1.31   0.001% *  0.0465% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 2.2, residual support = 6.28:
      O   HA    ALA   47 - HN    SER   48   2.34 +/- 0.07  98.642% * 99.6576% (0.90  10.0   2.20   6.28) =  99.999%  kept
          HA    TRP   49 - HN    SER   48   5.18 +/- 0.17   0.861% *  0.0585% (0.53   1.0   0.02  14.64) =   0.001%
          HA    CYS   50 - HN    SER   48   5.88 +/- 0.73   0.492% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    SER   48  14.59 +/- 1.01   0.002% *  0.0890% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  15.97 +/- 1.29   0.001% *  0.0763% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  15.25 +/- 1.08   0.001% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 4.59, residual support = 74.6:
          HD1   TRP   49 - HN    TRP   49   2.48 +/- 0.91  99.836% * 98.1746% (0.92   4.59  74.62) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  12.40 +/- 1.20   0.044% *  0.2999% (0.65   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  12.10 +/- 1.19   0.091% *  0.1156% (0.25   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  13.70 +/- 0.76   0.020% *  0.3712% (0.80   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  16.50 +/- 0.90   0.006% *  0.3185% (0.69   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  24.30 +/- 0.80   0.001% *  0.4544% (0.98   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  18.83 +/- 1.31   0.003% *  0.0917% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  30.86 +/- 1.10   0.000% *  0.1740% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 1 structures by 0.09 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.24, residual support = 14.6:
        T HN    SER   48 - HN    TRP   49   2.66 +/- 0.14 100.000% *100.0000% (0.84 10.00   4.24  14.64) = 100.000%  kept
    Distance limit 3.62 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 = 0.971, support = 1.89, residual support = 6.87:
      O   HA    CYS   50 - HN    CYS   50   2.33 +/- 0.24  89.373% * 50.5030% (0.98  10.0   1.81   7.24) =  91.612%  kept
      O   HA    TRP   49 - HN    CYS   50   3.54 +/- 0.07   8.377% * 49.3260% (0.87  10.0   2.70   2.84) =   8.386%  kept
          HA    ALA   47 - HN    CYS   50   4.40 +/- 0.64   2.246% *  0.0322% (0.57   1.0   0.02   6.76) =   0.001%
          HA1   GLY  109 - HN    CYS   50  14.93 +/- 1.06   0.002% *  0.0549% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  14.19 +/- 0.74   0.002% *  0.0255% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  17.43 +/- 0.92   0.001% *  0.0391% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  27.83 +/- 0.84   0.000% *  0.0194% (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 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 4.18, residual support = 73.1:
      O   HA    TRP   49 - HN    TRP   49   2.84 +/- 0.08  83.151% * 79.3737% (0.87  10.0   4.21  74.62) =  97.681%  kept
          HA    ALA   47 - HN    TRP   49   4.02 +/- 0.33  11.613% *  7.8312% (0.57   1.0   3.02  16.09) =   1.346%  kept
          HA    CYS   50 - HN    TRP   49   4.66 +/- 0.43   5.227% * 12.5717% (0.98   1.0   2.80   2.84) =   0.973%  kept
          HA1   GLY  109 - HN    TRP   49  15.95 +/- 1.04   0.003% *  0.0883% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  15.16 +/- 0.78   0.004% *  0.0410% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  17.34 +/- 0.85   0.002% *  0.0629% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  28.35 +/- 0.77   0.000% *  0.0312% (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 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.05, residual support = 74.6:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.954% * 99.6863% (0.92  10.0   2.05  74.62) = 100.000%  kept
          QE    PHE   95 - HE1   TRP   49  11.07 +/- 1.73   0.042% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  15.70 +/- 1.40   0.003% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  18.03 +/- 1.50   0.001% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  24.14 +/- 1.48   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  30.38 +/- 1.90   0.000% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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   2.94 +/- 0.34  87.316% * 99.4352% (0.98  10.0   1.39   1.39) =  99.982%  kept
          HA    TRP   49 - HN    GLY   51   4.97 +/- 1.23  12.038% *  0.1264% (0.87   1.0   0.02   0.02) =   0.018%
          HA    ALA   47 - HN    GLY   51   7.29 +/- 1.16   0.632% *  0.0825% (0.57   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    GLY   51  14.88 +/- 1.86   0.007% *  0.1407% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  14.81 +/- 1.45   0.007% *  0.0653% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  19.88 +/- 1.15   0.001% *  0.1001% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  29.42 +/- 1.28   0.000% *  0.0497% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 2.79, residual support = 10.1:
      O   HA1   GLY   51 - HN    GLY   51   2.40 +/- 0.27  99.954% * 99.5416% (0.92  10.0   2.79  10.11) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51  10.59 +/- 1.12   0.029% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  11.32 +/- 1.53   0.012% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  15.94 +/- 1.23   0.001% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.86 +/- 1.07   0.002% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  18.79 +/- 1.60   0.001% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.54 +/- 1.85   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  25.85 +/- 1.22   0.000% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  30.29 +/- 1.03   0.000% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  37.42 +/- 2.49   0.000% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.14, residual support = 32.3:
        T HN    ARG+  54 - HN    CYS   53   2.58 +/- 0.11  99.995% * 99.1159% (0.98 10.00   6.14  32.28) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  13.85 +/- 0.83   0.005% *  0.7343% (0.73 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  24.28 +/- 0.98   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  30.57 +/- 0.91   0.000% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 6.14, residual support = 32.3:
        T HN    CYS   53 - HN    ARG+  54   2.58 +/- 0.11  99.993% * 99.6035% (0.85 10.00   6.14  32.28) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  13.85 +/- 0.83   0.005% *  0.1864% (0.16 10.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  17.27 +/- 1.73   0.001% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.80 +/- 1.44   0.000% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  20.62 +/- 0.77   0.000% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  20.48 +/- 0.84   0.000% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  27.23 +/- 1.29   0.000% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  22.37 +/- 0.62   0.000% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.24, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.04 +/- 0.68  76.344% *  4.3392% (0.10   0.02   0.02) =  57.033%  kept
          HD21  ASN   69 - HN    ASP-  62  14.56 +/- 1.16  17.205% *  5.8573% (0.14   0.02   0.02) =  17.350%  kept
          HN    TRP   87 - HN    ARG+  54  19.13 +/- 0.94   2.934% * 29.7440% (0.69   0.02   0.02) =  15.026%  kept
          HN    GLN   17 - HN    ARG+  54  20.97 +/- 1.07   1.679% * 23.1904% (0.54   0.02   0.02) =   6.705%  kept
          HD21  ASN   69 - HN    ARG+  54  25.94 +/- 1.04   0.480% * 31.3037% (0.72   0.02   0.02) =   2.584%  kept
          HN    TRP   87 - HN    ASP-  62  21.74 +/- 0.71   1.358% *  5.5654% (0.13   0.02   0.02) =   1.301%  kept
    Distance limit 3.76 A violated in 20 structures by 6.77 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.93, residual support = 20.0:
          HN    PHE   55 - HN    ILE   56   2.66 +/- 0.17  99.724% * 99.1154% (0.95   3.93  19.97) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.78 +/- 0.59   0.045% *  0.1645% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   8.31 +/- 0.12   0.116% *  0.0201% (0.04   0.02   5.18) =   0.000%
          HN    LEU   31 - HZ2   TRP   87   8.40 +/- 0.48   0.113% *  0.0087% (0.02   0.02   2.05) =   0.000%
          HN    ALA   88 - HN    ILE   56  19.57 +/- 1.32   0.001% *  0.4623% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  24.18 +/- 1.56   0.000% *  0.2000% (0.38   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.87 +/- 1.18   0.000% *  0.0219% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  20.20 +/- 0.76   0.001% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 5.17, residual support = 33.4:
          HN    ALA   57 - HN    ILE   56   3.11 +/- 0.74  99.838% * 99.0111% (0.87   5.17  33.45) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  12.07 +/- 2.72   0.090% *  0.3538% (0.80   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  14.39 +/- 0.94   0.019% *  0.1817% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  18.19 +/- 1.87   0.007% *  0.3963% (0.90   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  13.97 +/- 1.55   0.038% *  0.0172% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  20.41 +/- 1.54   0.003% *  0.0166% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  23.75 +/- 1.71   0.001% *  0.0154% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  21.32 +/- 1.34   0.002% *  0.0079% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 3 structures by 0.31 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.04, residual support = 124.1:
      O   HA    ILE   56 - HN    ILE   56   2.85 +/- 0.15  99.253% * 95.8570% (0.15  10.0   5.04 124.14) =  99.996%  kept
          HA    PRO   58 - HN    ILE   56   7.55 +/- 0.42   0.318% *  0.5877% (0.95   1.0   0.02   0.02) =   0.002%
          HA    THR   46 - HN    ILE   56   8.09 +/- 1.01   0.313% *  0.4975% (0.80   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    ILE   56  16.82 +/- 1.17   0.003% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87   9.54 +/- 0.80   0.085% *  0.0053% (0.01   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  16.70 +/- 1.16   0.003% *  0.1229% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  22.00 +/- 1.15   0.001% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  13.18 +/- 0.88   0.012% *  0.0225% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  22.81 +/- 1.18   0.000% *  0.5189% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  14.24 +/- 0.60   0.007% *  0.0216% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  19.47 +/- 0.74   0.001% *  0.1383% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  28.18 +/- 1.71   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  30.56 +/- 1.39   0.000% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  19.74 +/- 1.27   0.001% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  18.88 +/- 0.52   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  19.65 +/- 0.84   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  21.62 +/- 1.30   0.001% *  0.0255% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  24.79 +/- 2.04   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  21.25 +/- 1.98   0.001% *  0.0042% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  23.99 +/- 2.38   0.000% *  0.0060% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 5.17, residual support = 33.4:
          HN    ILE   56 - HN    ALA   57   3.11 +/- 0.74  98.961% * 98.5646% (0.98   5.17  33.45) =  99.996%  kept
          HN    LEU   63 - HN    ALA   57   8.61 +/- 0.67   0.737% *  0.3594% (0.92   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HN    ALA   57  11.13 +/- 2.42   0.294% *  0.3491% (0.90   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   57  19.58 +/- 1.14   0.004% *  0.3491% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  20.41 +/- 1.54   0.003% *  0.0682% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  22.84 +/- 1.32   0.002% *  0.1202% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  30.78 +/- 1.81   0.000% *  0.1895% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 3 structures by 0.28 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.33, residual support = 20.5:
        T HN    PHE   60 - HN    PHE   59   2.78 +/- 0.16  99.801% * 97.7864% (0.47 10.00   4.33  20.52) = 100.000%  kept
        T HN    THR  118 - HN    PHE   59  10.53 +/- 0.83   0.041% *  0.6051% (0.29 10.00   0.02  11.65) =   0.000%
          HN    GLN  116 - HN    PHE   59   8.54 +/- 0.74   0.157% *  0.0282% (0.14  1.00   0.02   0.64) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  19.42 +/- 0.92   0.001% *  1.5803% (0.76 10.00   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.256, support = 4.82, residual support = 57.2:
      O   HA    PHE   59 - HN    PHE   59   2.76 +/- 0.06  78.056% * 86.5230% (0.24  10.0   4.97  58.70) =  96.128%  kept
          HA    ILE   56 - HN    PHE   59   3.80 +/- 0.99  21.921% * 12.4090% (0.69   1.0   0.99  20.70) =   3.872%  kept
          HA    ASP- 113 - HN    PHE   59  11.40 +/- 1.05   0.018% *  0.2514% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  14.52 +/- 0.67   0.004% *  0.2245% (0.62   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  20.52 +/- 1.16   0.000% *  0.2778% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  19.34 +/- 1.05   0.001% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  25.87 +/- 1.10   0.000% *  0.2588% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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   2.71 +/- 0.18  99.893% * 99.2309% (0.76  10.0   4.48  24.31) = 100.000%  kept
          HA1   GLY   51 - HN    ALA   57  10.42 +/- 1.56   0.070% *  0.1273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  10.76 +/- 1.27   0.032% *  0.0683% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  15.55 +/- 1.12   0.003% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  20.02 +/- 1.13   0.001% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.87 +/- 1.33   0.001% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  21.59 +/- 1.34   0.000% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  23.38 +/- 1.64   0.000% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  31.50 +/- 2.44   0.000% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.987, support = 4.65, residual support = 33.4:
      O   HA    ILE   56 - HN    ALA   57   2.99 +/- 0.33  93.747% * 90.8998% (0.99  10.0   4.64  33.45) =  99.370%  kept
          HA    PRO   58 - HN    ALA   57   4.84 +/- 0.23   6.224% *  8.6834% (0.34   1.0   5.55  24.56) =   0.630%  kept
          HA    ASP- 113 - HN    ALA   57  12.71 +/- 1.05   0.023% *  0.0519% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  17.58 +/- 1.06   0.003% *  0.0915% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.37 +/- 1.60   0.001% *  0.0822% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  19.52 +/- 1.09   0.001% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  21.25 +/- 1.59   0.001% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  27.40 +/- 1.59   0.000% *  0.0899% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  25.65 +/- 1.56   0.000% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 5.31, residual support = 41.8:
        T HN    PHE   60 - HN    ALA   61   2.71 +/- 0.16  99.969% * 97.7864% (0.61 10.00   5.31  41.84) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  12.68 +/- 0.76   0.011% *  0.6051% (0.38 10.00   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  15.30 +/- 0.91   0.004% *  1.5803% (0.98 10.00   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  11.76 +/- 0.80   0.016% *  0.0282% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.539, support = 4.42, residual support = 33.0:
          QD    PHE   60 - HN    ALA   61   3.82 +/- 0.67  63.844% * 49.1685% (0.57   4.77  41.84) =  78.640%  kept
          HN    PHE   59 - HN    ALA   61   4.38 +/- 0.29  32.827% * 24.1823% (0.41   3.23   0.64) =  19.887%  kept
          QE    PHE   59 - HN    ALA   61   7.27 +/- 1.00   2.228% * 26.2013% (0.80   1.80   0.64) =   1.463%  kept
          HN    LYS+  66 - HN    ALA   61   7.67 +/- 0.40   1.098% *  0.3571% (0.98   0.02   0.02) =   0.010%
          HN    LYS+  81 - HN    ALA   61  21.15 +/- 0.64   0.002% *  0.0908% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (4.40, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 1.07, residual support = 1.07:
          HA    PRO   58 - HN    ALA   61   3.42 +/- 0.24  97.756% * 90.1626% (0.97   1.07   1.07) =  99.982%  kept
          HA    ILE   56 - HN    ALA   61   7.52 +/- 1.05   1.472% *  0.7154% (0.41   0.02   0.02) =   0.012%
          HA    GLN   17 - HN    ALA   61   8.46 +/- 0.76   0.556% *  0.6531% (0.38   0.02   0.02) =   0.004%
          HA    THR   46 - HN    ALA   61  10.29 +/- 1.05   0.157% *  0.7802% (0.45   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ALA   61  13.90 +/- 0.67   0.025% *  1.6462% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   61  14.66 +/- 0.97   0.018% *  0.9156% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  17.18 +/- 0.85   0.007% *  1.7403% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  20.05 +/- 1.21   0.003% *  1.6462% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  18.82 +/- 0.98   0.004% *  0.4339% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  23.21 +/- 0.96   0.001% *  0.6531% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  23.62 +/- 1.19   0.001% *  0.6531% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 2.0, residual support = 1.94:
          HA    ALA   57 - HN    ALA   61   4.73 +/- 0.95  95.484% * 84.4574% (0.41   2.00   1.95) =  99.902%  kept
          HA    ASP-  44 - HN    ALA   61   9.33 +/- 0.66   4.072% *  1.7828% (0.87   0.02   0.02) =   0.090%
          HA1   GLY   51 - HN    ALA   61  15.19 +/- 1.08   0.137% *  1.4924% (0.73   0.02   0.02) =   0.003%
          HB    THR   77 - HN    ALA   61  17.01 +/- 0.88   0.082% *  1.8973% (0.92   0.02   0.02) =   0.002%
          HA    ILE  103 - HN    ALA   61  18.79 +/- 0.86   0.039% *  2.0146% (0.98   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ALA   61  18.61 +/- 0.99   0.042% *  1.7167% (0.84   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   61  19.99 +/- 0.53   0.030% *  1.8432% (0.90   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ALA   61  22.55 +/- 0.91   0.014% *  1.8973% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  16.82 +/- 0.89   0.072% *  0.3171% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  25.99 +/- 2.04   0.006% *  1.7167% (0.84   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  23.07 +/- 1.54   0.011% *  0.4576% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  23.40 +/- 0.73   0.012% *  0.4067% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 5 structures by 0.57 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 42.4:
        T HN    ASP-  62 - HN    LEU   63   2.61 +/- 0.05  99.989% * 99.7221% (0.98 10.00   5.85  42.45) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  14.28 +/- 0.74   0.004% *  0.0939% (0.92  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  13.43 +/- 0.71   0.006% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  19.38 +/- 0.86   0.001% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  20.90 +/- 0.91   0.000% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 6.78, residual support = 53.4:
        T HN    ALA   64 - HN    LEU   63   2.65 +/- 0.14 100.000% *100.0000% (0.97 10.00   6.78  53.41) = 100.000%  kept
    Distance limit 3.30 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 = 4.28, residual support = 26.6:
        T HN    LYS+  65 - HN    ALA   64   2.60 +/- 0.14 100.000% *100.0000% (0.97 10.00   4.28  26.62) = 100.000%  kept
    Distance limit 3.48 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 = 6.78, residual support = 53.4:
          HN    LEU   63 - HN    ALA   64   2.65 +/- 0.14  99.986% * 98.9981% (0.99   6.78  53.41) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  12.63 +/- 0.84   0.009% *  0.2788% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  16.09 +/- 1.41   0.002% *  0.1788% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  18.19 +/- 0.72   0.001% *  0.1212% (0.41   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  20.06 +/- 0.87   0.001% *  0.1788% (0.61   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  20.91 +/- 0.60   0.000% *  0.1788% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  24.55 +/- 0.92   0.000% *  0.0656% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 4.28, residual support = 26.6:
        T HN    ALA   64 - HN    LYS+  65   2.60 +/- 0.14 100.000% *100.0000% (0.67 10.00   4.28  26.62) = 100.000%  kept
    Distance limit 3.36 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 = 6.16, residual support = 25.2:
          HN    LYS+  66 - HN    LYS+  65   2.55 +/- 0.12  99.536% * 99.3333% (0.68   6.16  25.18) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   7.03 +/- 0.89   0.354% *  0.1862% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   9.25 +/- 0.70   0.052% *  0.2633% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.91 +/- 0.34   0.058% *  0.1352% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  24.68 +/- 0.70   0.000% *  0.0820% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.667, support = 0.75, residual support = 3.17:
          HA    ASP-  62 - HN    LYS+  65   3.42 +/- 0.28  99.981% * 95.0307% (0.67   0.75   3.17) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.14 +/- 0.89   0.016% *  1.9068% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  20.15 +/- 1.00   0.003% *  2.6026% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  26.97 +/- 0.57   0.000% *  0.4599% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 6.16, residual support = 25.2:
        T HN    LYS+  65 - HN    LYS+  66   2.55 +/- 0.12 100.000% *100.0000% (0.97 10.00   6.16  25.18) = 100.000%  kept
    Distance limit 3.14 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 = 5.02, residual support = 112.9:
      O   HA    LYS+  66 - HN    LYS+  66   2.88 +/- 0.04  99.999% * 99.9389% (0.97  10.0   5.02 112.86) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  22.88 +/- 0.92   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  25.71 +/- 0.67   0.000% *  0.0258% (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 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0762, support = 2.62, residual support = 46.6:
          HD22  ASN   28 - HE3   TRP   27   4.86 +/- 0.24  99.983% * 94.2732% (0.08   2.62  46.61) =  99.999%  kept
          HD22  ASN   28 - HN    LEU   67  20.92 +/- 0.71   0.017% *  5.7268% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 3 structures by 0.52 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.8, residual support = 57.7:
      O   HA    LEU   67 - HN    LEU   67   2.81 +/- 0.21  99.943% * 99.9623% (1.00  10.0   5.80  57.67) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27  10.95 +/- 1.31   0.054% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  16.98 +/- 1.28   0.002% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.59 +/- 0.50   0.001% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 4.45, residual support = 10.3:
      O   HA    LYS+  66 - HN    LEU   67   3.47 +/- 0.10  99.910% * 99.9186% (0.97  10.0   4.45  10.29) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  12.61 +/- 1.50   0.069% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  20.69 +/- 0.92   0.002% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.43 +/- 1.43   0.015% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  19.84 +/- 0.87   0.003% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  25.62 +/- 0.64   0.001% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 4.26, residual support = 27.6:
        T HN    VAL   70 - HN    ASN   69   2.59 +/- 0.59  99.996% * 99.9644% (0.87 10.00   4.26  27.63) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  15.70 +/- 0.84   0.004% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.07 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.49, residual support = 61.2:
      O   HA    ASN   69 - HN    ASN   69   2.84 +/- 0.07  99.992% * 99.8231% (0.76  10.0   5.49  61.21) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  14.09 +/- 0.69   0.007% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  21.49 +/- 0.94   0.001% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.2, residual support = 61.2:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00 100.000% * 99.9103% (0.52  10.0 10.00   3.20  61.21) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.79 +/- 1.71   0.000% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  29.36 +/- 1.04   0.000% *  0.0241% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.2, residual support = 61.2:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.998% * 99.7566% (0.52  10.0   3.20  61.21) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  11.52 +/- 1.42   0.001% *  0.1078% (0.56   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  24.88 +/- 0.89   0.000% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  21.51 +/- 0.89   0.000% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.12, residual support = 42.3:
          QE    PHE   72 - HN    VAL   70   3.58 +/- 0.79  99.988% * 97.9824% (0.45   2.12  42.34) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  18.14 +/- 0.50   0.012% *  2.0176% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.10 A, kept.
 
    Peak 429 (8.81, 7.98, 124.64 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.26, residual support = 27.6:
        T HN    ASN   69 - HN    VAL   70   2.59 +/- 0.59  99.981% * 99.8277% (0.76 10.00   4.26  27.63) = 100.000%  kept
          HN    ASP-  44 - HN    VAL   70  12.58 +/- 0.54   0.017% *  0.0259% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  17.89 +/- 0.60   0.002% *  0.1236% (0.95  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    VAL   70  21.70 +/- 0.70   0.001% *  0.0229% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.08 A, kept.
 
    Peak 430 (4.69, 7.99, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.73, residual support = 27.6:
      O   HA    ASN   69 - HN    VAL   70   3.02 +/- 0.36  99.964% * 99.8197% (0.87  10.0   3.73  27.63) = 100.000%  kept
          HA    VAL   43 - HN    VAL   70  11.88 +/- 0.60   0.034% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    VAL   70  19.22 +/- 0.89   0.002% *  0.1060% (0.93   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (4.03, 7.98, 124.64 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 4.21, residual support = 83.1:
      O   HA    VAL   70 - HN    VAL   70   2.92 +/- 0.02  87.065% * 99.5350% (0.72  10.0   4.21  83.10) =  99.988%  kept
          HA1   GLY   16 - HN    VAL   70   5.64 +/- 2.01  12.698% *  0.0831% (0.60   1.0   0.02   0.02) =   0.012%
          HB2   SER   37 - HN    VAL   70   9.43 +/- 1.00   0.099% *  0.1265% (0.91   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   70   8.95 +/- 0.91   0.123% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  13.65 +/- 0.85   0.009% *  0.0564% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  16.03 +/- 1.76   0.005% *  0.0995% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  17.55 +/- 0.64   0.002% *  0.0381% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  26.10 +/- 0.81   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 138.6:
      O   HA    LEU   71 - HN    LEU   71   2.89 +/- 0.01  99.843% * 99.9402% (1.00  10.0   6.64 138.62) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   8.71 +/- 0.56   0.146% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  13.15 +/- 0.51   0.012% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 5.17, residual support = 32.8:
      O   HA    VAL   70 - HN    LEU   71   2.28 +/- 0.03  99.718% * 99.5202% (1.00  10.0   5.17  32.79) = 100.000%  kept
          HB2   SER   37 - HN    LEU   71   7.88 +/- 1.02   0.077% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   71   8.40 +/- 0.78   0.048% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LEU   71   8.11 +/- 1.82   0.143% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71  10.69 +/- 0.98   0.011% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  13.84 +/- 0.73   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  16.79 +/- 1.77   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  22.38 +/- 0.87   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  23.09 +/- 0.67   0.000% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 2.28, residual support = 4.34:
          HA    VAL   41 - HN    LEU   71   4.62 +/- 0.60  98.305% * 98.7842% (1.00   2.28   4.34) =  99.988%  kept
          HA    HIS  122 - HN    LEU   71  11.47 +/- 2.60   1.574% *  0.7247% (0.84   0.02   0.02) =   0.012%
          HA    PHE   45 - HN    LEU   71  14.69 +/- 0.43   0.120% *  0.4912% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 9 structures by 0.72 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 3.01, residual support = 5.29:
          HN    VAL   42 - HN    LEU   71   4.36 +/- 0.38  92.442% * 69.9580% (0.61   3.06   5.43) =  97.536%  kept
          HN    LEU   73 - HN    LEU   71   7.07 +/- 0.20   5.525% * 29.3019% (0.61   1.28   0.02) =   2.442%  kept
          HN    ILE   19 - HN    LEU   71   8.61 +/- 0.65   2.034% *  0.7401% (0.98   0.02   0.02) =   0.023%
    Distance limit 4.43 A violated in 0 structures by 0.11 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.55, residual support = 90.1:
          QD    PHE   72 - HN    PHE   72   2.81 +/- 0.34  99.909% * 98.9085% (0.45   5.55  90.06) =  99.999%  kept
          HD22  ASN   69 - HN    PHE   72  10.26 +/- 0.80   0.056% *  0.5772% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  11.07 +/- 0.39   0.036% *  0.5142% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 90.1:
      O   HA    PHE   72 - HN    PHE   72   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   5.14  90.06) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (4.65, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 19.7:
      O   HA    LEU   71 - HN    PHE   72   2.22 +/- 0.04  99.897% * 99.9402% (1.00  10.0   5.28  19.72) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   7.43 +/- 0.63   0.081% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   9.10 +/- 0.45   0.022% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.459, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    PHE   72  12.25 +/- 0.53  61.726% *  7.2068% (0.18   0.02   0.02) =  36.784%  kept
          HA    THR   23 - HN    PHE   72  15.57 +/- 0.59  14.720% * 29.8815% (0.73   0.02   0.02) =  36.372%  kept
          HB    THR   23 - HN    PHE   72  15.62 +/- 0.78  14.755% *  9.1616% (0.22   0.02   0.02) =  11.178%  kept
          HA    ASP-  78 - HN    PHE   72  20.83 +/- 0.22   2.568% * 39.7133% (0.97   0.02   0.02) =   8.434%  kept
          HA    LEU   80 - HN    PHE   72  18.02 +/- 0.78   6.231% * 14.0368% (0.34   0.02   0.02) =   7.232%  kept
    Distance limit 4.31 A violated in 20 structures by 6.97 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.485, support = 0.879, residual support = 1.31:
          QE    PHE   60 - HN    LEU   73   5.13 +/- 1.62  90.805% * 80.9806% (0.49   0.89   1.32) =  99.094%  kept
          HN    LEU   63 - HN    LEU   73  10.02 +/- 0.89   5.020% * 10.4614% (0.41   0.14   0.02) =   0.708%  kept
          HZ2   TRP   87 - HN    LEU   73  10.92 +/- 0.77   2.398% *  3.7203% (0.99   0.02   0.02) =   0.120%
          HD21  ASN   28 - HN    LEU   73  11.90 +/- 0.80   1.492% *  3.6792% (0.98   0.02   0.32) =   0.074%
          HN    ILE   56 - HN    LEU   73  15.24 +/- 1.23   0.286% *  1.1585% (0.31   0.02   0.02) =   0.004%
    Distance limit 4.42 A violated in 7 structures by 1.01 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.32, residual support = 171.7:
      O   HA    LEU   73 - HN    LEU   73   2.92 +/- 0.02 100.000% *100.0000% (0.95  10.0   6.32 171.70) = 100.000%  kept
    Distance limit 3.74 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 = 39.4:
      O   HA    PHE   72 - HN    LEU   73   2.23 +/- 0.04 100.000% *100.0000% (0.53  10.0   5.16  39.44) = 100.000%  kept
    Distance limit 2.98 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 = 0.535, support = 3.67, residual support = 7.65:
          HA    VAL   43 - HN    LEU   73   3.64 +/- 0.64  91.301% * 69.4312% (0.53   3.75   7.87) =  97.164%  kept
          HA    LEU   71 - HN    LEU   73   6.06 +/- 0.20   6.130% * 30.1384% (0.84   1.02   0.02) =   2.832%  kept
          HA    ALA   20 - HN    LEU   73   7.29 +/- 0.45   2.187% *  0.0953% (0.14   0.02   0.02) =   0.003%
          HA    HIS   22 - HN    LEU   73  10.20 +/- 0.87   0.292% *  0.1394% (0.20   0.02   0.02) =   0.001%
          HA    ASN   69 - HN    LEU   73  12.08 +/- 0.32   0.091% *  0.1958% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.04 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.124, support = 3.86, residual support = 10.1:
        T HN    CYS   21 - HN    LYS+  74   2.65 +/- 0.42  99.989% * 95.8247% (0.12 10.00   3.86  10.10) = 100.000%  kept
        T HN    ILE  119 - HN    LYS+  74  17.35 +/- 0.77   0.002% *  3.0978% (0.40 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  14.90 +/- 0.63   0.005% *  0.4381% (0.57  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  16.92 +/- 0.80   0.003% *  0.5176% (0.67  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  17.55 +/- 0.77   0.002% *  0.1218% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.562, support = 3.93, residual support = 15.4:
        T HN    ILE   19 - HN    LYS+  74   4.20 +/- 0.52  56.784% * 72.7179% (0.54 10.00   3.25   8.41) =  78.133%  kept
          HN    LEU   73 - HN    LYS+  74   4.41 +/- 0.07  42.520% * 27.1780% (0.64  1.00   6.37  40.49) =  21.866%  kept
          HN    VAL   42 - HN    LYS+  74   8.90 +/- 0.68   0.685% *  0.0853% (0.64  1.00   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HN    LYS+  74  17.59 +/- 0.41   0.011% *  0.0188% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 5.57, residual support = 40.5:
      O   HA    LEU   73 - HN    LYS+  74   2.38 +/- 0.10 100.000% *100.0000% (0.68  10.0   5.57  40.49) = 100.000%  kept
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.1, residual support = 187.0:
      O   HA    LYS+  74 - HN    LYS+  74   2.93 +/- 0.00  99.939% * 99.4309% (0.20  10.0   6.10 187.01) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74  10.56 +/- 0.87   0.055% *  0.0708% (0.14   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  15.91 +/- 1.37   0.005% *  0.3102% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  18.99 +/- 1.70   0.002% *  0.1882% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 3.74, residual support = 8.19:
          HA    ALA   20 - HN    LYS+  74   3.21 +/- 0.45  99.745% * 99.7090% (0.68   3.74   8.19) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   9.18 +/- 0.18   0.255% *  0.2910% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.63 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 = 6.04, residual support = 32.0:
      O   HA    LYS+  74 - HN    VAL   75   2.23 +/- 0.04  99.992% * 99.7992% (0.61  10.0   6.04  31.96) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  11.76 +/- 1.38   0.007% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  19.51 +/- 1.47   0.000% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.74, residual support = 36.0:
      O   HA    ASP-  76 - HN    ASP-  76   2.88 +/- 0.03  99.999% * 99.5538% (0.22  10.0   3.74  36.04) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  20.94 +/- 1.08   0.001% *  0.4462% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 19.5:
      O   HA    VAL  107 - HN    VAL  108   2.20 +/- 0.01  99.936% * 99.5919% (0.65  10.0   3.97  19.45) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   7.79 +/- 0.55   0.056% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  11.76 +/- 1.48   0.007% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  14.36 +/- 1.45   0.002% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  19.84 +/- 0.58   0.000% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 5.37, residual support = 28.5:
        T HN    ASP-  78 - HN    THR   77   2.75 +/- 0.07  98.995% * 99.9203% (0.98 10.00   5.37  28.48) =  99.999%  kept
          HN    VAL   75 - HN    THR   77   5.97 +/- 0.27   1.004% *  0.0618% (0.61  1.00   0.02   0.34) =   0.001%
          HN    LYS+ 112 - HN    THR   77  18.68 +/- 1.20   0.001% *  0.0179% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 5.37, residual support = 28.5:
        T HN    THR   77 - HN    ASP-  78   2.75 +/- 0.07 100.000% *100.0000% (1.00 10.00   5.37  28.48) = 100.000%  kept
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 454 (8.02, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.76, residual support = 16.4:
        T HN    GLU-  79 - HN    ASP-  78   2.49 +/- 0.11  99.985% * 99.9158% (0.99 10.00   3.76  16.38) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  11.03 +/- 0.91   0.015% *  0.0842% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.76, residual support = 16.4:
        T HN    ASP-  78 - HN    GLU-  79   2.49 +/- 0.11  99.914% * 99.9001% (0.56 10.00   3.76  16.38) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   8.10 +/- 0.22   0.086% *  0.0999% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 4.26, residual support = 54.9:
      O   HA    GLU-  79 - HN    GLU-  79   2.88 +/- 0.05  97.616% * 99.4285% (0.60  10.0   4.26  54.87) =  99.999%  kept
          HB    THR   77 - HN    GLU-  79   5.45 +/- 0.33   2.336% *  0.0608% (0.37   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  11.67 +/- 0.27   0.022% *  0.0608% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  12.35 +/- 0.45   0.016% *  0.0528% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  15.25 +/- 0.95   0.005% *  0.0983% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  15.77 +/- 1.30   0.004% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  21.71 +/- 1.35   0.001% *  0.0728% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  25.02 +/- 0.49   0.000% *  0.1003% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  31.63 +/- 2.29   0.000% *  0.0488% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 3.78, residual support = 16.4:
      O   HA    ASP-  78 - HN    GLU-  79   3.51 +/- 0.08  99.270% * 98.7485% (0.08  10.0   3.78  16.38) =  99.995%  kept
          HA    PHE   45 - HN    GLU-  79   8.05 +/- 0.46   0.726% *  0.7232% (0.60   1.0   0.02   0.02) =   0.005%
          HA    VAL   41 - HN    GLU-  79  18.76 +/- 0.55   0.004% *  0.3839% (0.32   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  27.26 +/- 1.45   0.000% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 10.9:
      O   HA    ASP-  76 - HN    THR   77   2.27 +/- 0.02 100.000% * 99.8354% (0.53  10.0   4.53  10.85) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  22.54 +/- 1.02   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (4.58, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 1.22, residual support = 3.82:
          HA    ALA   47 - HN    THR   77   4.07 +/- 0.87  96.395% * 88.9567% (0.57   1.22   3.83) =  99.903%  kept
          HA    CYS   50 - HN    THR   77   8.79 +/- 1.44   2.037% *  2.5238% (0.98   0.02   0.02) =   0.060%
          HA    TRP   49 - HN    THR   77   9.75 +/- 0.66   0.987% *  2.2334% (0.87   0.02   0.02) =   0.026%
          HA    CYS   21 - HN    THR   77  11.42 +/- 0.51   0.410% *  1.7686% (0.69   0.02   0.02) =   0.008%
          HA    VAL  108 - HN    THR   77  13.03 +/- 1.01   0.120% *  1.1544% (0.45   0.02   0.02) =   0.002%
          HA1   GLY  109 - HN    THR   77  15.61 +/- 1.25   0.045% *  2.4848% (0.97   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HN    THR   77  22.33 +/- 1.06   0.006% *  0.8783% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 3 structures by 0.29 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 1.19, residual support = 11.6:
          HA    THR   46 - HN    THR   77   5.33 +/- 0.53  57.644% * 80.8926% (0.25   1.22  11.96) =  96.798%  kept
          HA    GLN   90 - HN    THR   77   6.13 +/- 1.53  41.913% *  3.6406% (0.69   0.02   0.02) =   3.168%  kept
          HA    VAL   42 - HN    THR   77  14.91 +/- 0.62   0.121% *  4.5973% (0.87   0.02   0.02) =   0.012%
          HA    PHE   55 - HN    THR   77  15.65 +/- 1.48   0.113% *  4.5973% (0.87   0.02   0.02) =   0.011%
          HA    ALA  110 - HN    THR   77  14.56 +/- 2.04   0.171% *  3.0006% (0.57   0.02   0.02) =   0.011%
          HA    GLN   17 - HN    THR   77  18.31 +/- 0.67   0.034% *  1.6358% (0.31   0.02   0.02) =   0.001%
          HA    SER   37 - HN    THR   77  27.17 +/- 0.64   0.003% *  1.6358% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 2 structures by 0.58 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.02, residual support = 37.8:
      O   HB    THR   77 - HN    THR   77   3.41 +/- 0.33  98.164% * 99.1602% (0.76  10.0   4.02  37.76) =  99.999%  kept
          HA    GLU-  79 - HN    THR   77   7.05 +/- 0.13   1.379% *  0.0361% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   77   9.21 +/- 0.55   0.271% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   77  11.07 +/- 0.74   0.099% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  13.50 +/- 0.61   0.028% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  12.36 +/- 0.78   0.052% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  19.52 +/- 1.10   0.003% *  0.0839% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  23.77 +/- 1.18   0.001% *  0.0942% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  22.16 +/- 0.78   0.001% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  29.45 +/- 1.91   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  23.70 +/- 0.60   0.001% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  31.80 +/- 1.91   0.000% *  0.1126% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 5.0, residual support = 31.5:
        T HN    LEU   80 - HN    LYS+  81   3.64 +/- 0.35  96.252% * 98.5772% (0.65 10.00   5.00  31.45) =  99.997%  kept
          HN    SER   85 - HN    LYS+  81   6.46 +/- 0.18   3.726% *  0.0683% (0.45  1.00   0.02   0.02) =   0.003%
        T HN    ALA   34 - HN    LYS+  81  20.58 +/- 0.60   0.003% *  1.1646% (0.76 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    LYS+  81  18.06 +/- 0.54   0.007% *  0.1273% (0.84  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  17.21 +/- 0.83   0.010% *  0.0626% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 12.6:
        T HN    SER   82 - HN    LYS+  81   2.63 +/- 0.14  99.972% * 99.8569% (1.00 10.00   4.08  12.65) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81  10.64 +/- 0.96   0.027% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  24.60 +/- 0.74   0.000% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  22.09 +/- 1.77   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  27.21 +/- 1.14   0.000% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 5.44, residual support = 31.5:
      O   HA    LEU   80 - HN    LYS+  81   2.56 +/- 0.17  98.620% * 99.6041% (0.69  10.0   5.44  31.45) =  99.998%  kept
          HA    ASP-  78 - HN    LYS+  81   5.71 +/- 0.56   1.128% *  0.1372% (0.95   1.0   0.02   0.80) =   0.002%
          HA    THR   23 - HN    LYS+  81   7.37 +/- 0.54   0.213% *  0.1421% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+  81   9.69 +/- 0.65   0.039% *  0.0763% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  23.38 +/- 0.77   0.000% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 101.7:
      O   HA    LYS+  81 - HN    LYS+  81   2.79 +/- 0.05  99.991% * 99.7055% (0.99  10.0   5.29 101.65) = 100.000%  kept
          HA    ASN   28 - HN    LYS+  81  13.61 +/- 0.53   0.008% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  19.58 +/- 2.04   0.001% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  26.60 +/- 0.68   0.000% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  22.85 +/- 1.12   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  34.97 +/- 1.81   0.000% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 3.92, residual support = 33.4:
      O   HA    SER   82 - HN    SER   82   2.78 +/- 0.03  99.956% * 98.7108% (0.25  10.0   3.92  33.40) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  10.69 +/- 0.80   0.035% *  0.3170% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  13.65 +/- 0.73   0.008% *  0.1486% (0.38   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  18.92 +/- 0.82   0.001% *  0.3880% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  18.91 +/- 0.62   0.001% *  0.3820% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  26.62 +/- 1.21   0.000% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.202, support = 0.02, residual support = 0.02:
          HB    THR   23 - HN    SER   82  10.07 +/- 0.58  99.151% * 32.4951% (0.20   0.02   0.02) =  98.252%  kept
          HA    ASP- 105 - HN    SER   82  22.63 +/- 0.74   0.849% * 67.5049% (0.41   0.02   0.02) =   1.748%  kept
    Distance limit 4.19 A violated in 20 structures by 5.87 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 = 20.0:
        T HN    VAL   83 - HN    SER   82   2.69 +/- 0.09  99.998% * 99.9274% (1.00 10.00   5.62  19.99) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  16.31 +/- 0.75   0.002% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 4.08, residual support = 12.6:
          HN    LYS+  81 - HN    SER   82   2.63 +/- 0.14  99.981% * 99.2645% (1.00   4.08  12.65) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  11.90 +/- 1.47   0.017% *  0.1086% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  17.01 +/- 0.66   0.001% *  0.3908% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  21.94 +/- 1.18   0.000% *  0.0855% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  26.97 +/- 0.72   0.000% *  0.1506% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 7.59, residual support = 43.7:
        T HN    ALA   84 - HN    VAL   83   2.65 +/- 0.04  99.998% * 99.6823% (0.75 10.00   7.59  43.73) = 100.000%  kept
          HE21  GLN   32 - HN    VAL   83  18.56 +/- 1.66   0.001% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  21.16 +/- 1.46   0.000% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  20.88 +/- 1.10   0.000% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  22.42 +/- 0.96   0.000% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 20.0:
        T HN    SER   82 - HN    VAL   83   2.69 +/- 0.09  99.956% * 99.8569% (0.75 10.00   5.62  19.99) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83  10.06 +/- 0.71   0.042% *  0.0375% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  18.09 +/- 2.02   0.001% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  23.21 +/- 0.94   0.000% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  25.48 +/- 1.03   0.000% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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   2.75 +/- 0.09  99.977% * 99.8725% (0.99 10.00   3.77  20.74) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  11.52 +/- 0.60   0.020% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  16.48 +/- 0.57   0.002% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  18.69 +/- 0.57   0.001% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 7.59, residual support = 43.7:
        T HN    VAL   83 - HN    ALA   84   2.65 +/- 0.04  99.996% * 99.9274% (1.00 10.00   7.59  43.73) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  14.53 +/- 0.72   0.004% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 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   3.25 +/- 0.17  99.944% * 95.6974% (0.80   2.26   5.56) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  11.94 +/- 0.52   0.044% *  0.5147% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  18.83 +/- 1.90   0.004% *  1.0206% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  19.49 +/- 0.93   0.002% *  0.4741% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  20.15 +/- 2.84   0.003% *  0.1852% (0.18   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  20.55 +/- 0.55   0.002% *  0.3264% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  24.73 +/- 0.65   0.001% *  0.7264% (0.69   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  31.68 +/- 1.80   0.000% *  1.0552% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.405, support = 0.02, residual support = 0.02:
          HA    GLU-  25 - HN    VAL   83   9.60 +/- 0.71  76.805% * 13.1508% (0.34   0.02   0.02) =  68.031%  kept
          HA    THR   26 - HN    VAL   83  12.34 +/- 0.64  17.078% * 21.2999% (0.55   0.02   0.02) =  24.501%  kept
          HA    CYS   53 - HN    VAL   83  18.12 +/- 0.69   1.881% * 27.0775% (0.70   0.02   0.02) =   3.431%  kept
          HA    ILE   19 - HN    VAL   83  17.54 +/- 0.67   2.172% * 20.1488% (0.52   0.02   0.02) =   2.947%  kept
          HA1   GLY  101 - HN    VAL   83  19.67 +/- 3.06   1.771% *  7.3142% (0.19   0.02   0.02) =   0.872%  kept
          HA    GLU- 114 - HN    VAL   83  24.74 +/- 1.21   0.293% * 11.0089% (0.28   0.02   0.02) =   0.217%
    Distance limit 4.18 A violated in 20 structures by 5.00 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   4.29 +/- 0.08  82.142% * 99.5391% (0.58 10.00   2.60   5.20) =  99.990%  kept
          HN    LEU   80 - HN    VAL   83   5.57 +/- 0.25  17.775% *  0.0444% (0.26  1.00   0.02   0.02) =   0.010%
          HN    GLN   32 - HN    VAL   83  14.85 +/- 0.68   0.050% *  0.1300% (0.75  1.00   0.02   0.02) =   0.000%
        T HN    CYS   53 - HN    VAL   83  18.30 +/- 0.69   0.014% *  0.2281% (0.13 10.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  17.49 +/- 0.69   0.019% *  0.0584% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.33, residual support = 10.9:
          HN    SER   82 - HN    ALA   84   3.87 +/- 0.07  97.666% * 99.2474% (0.87   4.33  10.91) =  99.991%  kept
          HN    GLN   90 - HN    ALA   84   7.50 +/- 0.72   2.320% *  0.3633% (0.69   0.02   0.02) =   0.009%
          HN    ILE  103 - HN    ALA   84  17.83 +/- 1.89   0.013% *  0.2574% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  23.50 +/- 0.79   0.002% *  0.1319% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - HN    SER   85   2.45 +/- 0.09  99.996% * 97.4563% (0.80   3.33  13.43) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  16.08 +/- 0.59   0.001% *  0.6335% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  15.44 +/- 0.58   0.002% *  0.2741% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  19.75 +/- 1.13   0.000% *  0.4724% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  23.85 +/- 2.34   0.000% *  0.5303% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  29.46 +/- 1.48   0.000% *  0.6335% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.29 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   2.75 +/- 0.09  99.872% * 97.8189% (0.90   3.77  20.74) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85   8.89 +/- 0.34   0.089% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  10.54 +/- 0.91   0.037% *  0.1785% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  19.33 +/- 1.55   0.001% *  0.5188% (0.90   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  20.39 +/- 1.21   0.001% *  0.5670% (0.98   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  23.26 +/- 0.87   0.000% *  0.5340% (0.92   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  21.69 +/- 1.75   0.000% *  0.2816% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.28 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   4.29 +/- 0.08  99.959% * 99.9526% (0.87 10.00   2.60   5.20) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  15.94 +/- 0.84   0.041% *  0.0474% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.24 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   2.82 +/- 0.03  96.215% * 99.3023% (0.99  10.0   3.65  18.15) =  99.998%  kept
          HA    ASP-  86 - HN    SER   85   4.93 +/- 0.08   3.400% *  0.0449% (0.45   1.0   0.02  13.43) =   0.002%
          HB    THR   77 - HN    SER   85   7.58 +/- 0.82   0.326% *  0.0993% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    SER   85  10.14 +/- 0.36   0.046% *  0.0608% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  13.32 +/- 0.61   0.009% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  17.60 +/- 1.90   0.002% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  19.85 +/- 1.24   0.001% *  0.0412% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.08 +/- 1.60   0.001% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  24.71 +/- 0.59   0.000% *  0.0527% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  29.10 +/- 1.37   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  35.78 +/- 2.60   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  34.14 +/- 2.23   0.000% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.54, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  16.38 +/- 0.58  10.635% * 23.1039% (0.98   0.02   0.02) =  30.212%  kept
          HA    ASN   28 - HN    SER   85  13.41 +/- 0.57  35.440% *  5.2476% (0.22   0.02   0.02) =  22.867%  kept
          HA    GLU-  25 - HN    SER   85  13.59 +/- 0.73  33.098% *  4.1279% (0.18   0.02   0.02) =  16.799%  kept
          HA    CYS   53 - HN    SER   85  17.39 +/- 0.93   8.038% * 14.2963% (0.61   0.02   0.02) =  14.129%  kept
          HA1   GLY  101 - HN    SER   85  20.57 +/- 2.81   3.740% * 13.3446% (0.57   0.02   0.02) =   6.136%  kept
          HA    GLU- 114 - HN    SER   85  23.31 +/- 1.20   1.400% * 17.1158% (0.73   0.02   0.02) =   2.946%  kept
          HA    ILE   19 - HN    SER   85  20.56 +/- 0.71   2.783% *  8.0401% (0.34   0.02   0.02) =   2.751%  kept
          HA    LEU  115 - HN    SER   85  20.34 +/- 0.90   3.110% *  5.8774% (0.25   0.02   0.02) =   2.248%  kept
          HA    ALA   34 - HN    SER   85  22.14 +/- 0.52   1.758% *  8.8463% (0.38   0.02   0.02) =   1.912%  kept
    Distance limit 3.75 A violated in 20 structures by 7.51 A, eliminated.
    Peak unassigned.
 
    Peak 486 (8.05, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 13.4:
        T HN    SER   85 - HN    ASP-  86   2.45 +/- 0.09  99.993% * 99.7141% (0.99 10.00   3.33  13.43) = 100.000%  kept
          HN    THR   94 - HN    ASP-  86  12.86 +/- 0.63   0.005% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  16.27 +/- 0.66   0.001% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  18.65 +/- 0.57   0.001% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.69, residual support = 22.5:
          HN    TRP   87 - HN    ASP-  86   2.73 +/- 0.04  99.664% * 98.7385% (0.95   3.69  22.48) =  99.999%  kept
          HE3   TRP   87 - HN    ASP-  86   7.07 +/- 0.24   0.336% *  0.1746% (0.31   0.02  22.48) =   0.001%
          HN    GLN   17 - HN    ASP-  86  24.33 +/- 0.62   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  26.37 +/- 1.12   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.842, support = 4.02, residual support = 40.6:
      O   HA    ASP-  86 - HN    ASP-  86   2.73 +/- 0.01  81.280% * 84.6024% (0.87  10.0   4.05  41.61) =  96.396%  kept
      O   HA    SER   85 - HN    ASP-  86   3.54 +/- 0.01  17.083% * 15.0488% (0.15  10.0   3.27  13.43) =   3.604%  kept
          HA    TRP   87 - HN    ASP-  86   5.27 +/- 0.03   1.569% *  0.0271% (0.28   1.0   0.02  22.48) =   0.001%
          HB    THR   77 - HN    ASP-  86   9.33 +/- 0.80   0.060% *  0.0150% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  12.91 +/- 0.59   0.008% *  0.0193% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  18.96 +/- 1.11   0.001% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  28.53 +/- 1.35   0.000% *  0.0900% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  33.44 +/- 2.22   0.000% *  0.0815% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  34.93 +/- 2.69   0.000% *  0.0217% (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 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.69, residual support = 22.5:
          HN    ASP-  86 - HN    TRP   87   2.73 +/- 0.04  99.989% * 98.4310% (1.00   3.69  22.48) = 100.000%  kept
          HN    GLN   30 - HN    TRP   87  15.02 +/- 0.50   0.004% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    TRP   87  14.93 +/- 0.59   0.004% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  15.93 +/- 1.07   0.003% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  20.53 +/- 2.37   0.001% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  28.08 +/- 1.50   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 3.98, residual support = 66.7:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.00  77.523% * 78.1363% (0.90  10.0   4.03  70.26) =  92.541%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.61 +/- 0.01  22.474% * 21.7248% (0.25  10.0   3.39  22.48) =   7.459%  kept
          HA    LEU  104 - HN    TRP   87  16.65 +/- 1.04   0.003% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  21.32 +/- 1.02   0.001% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  27.87 +/- 1.25   0.000% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  32.97 +/- 2.09   0.000% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 1.88, residual support = 70.3:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.682% * 98.5320% (0.28  10.0   1.88  70.26) =  99.996%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.227% *  0.2742% (0.73   1.0   0.02  70.26) =   0.003%
          HN    TRP   27 - HE1   TRP   87   8.91 +/- 0.53   0.072% *  0.3386% (0.90   1.0   0.02   6.22) =   0.000%
          HN    ALA   91 - HE1   TRP   87  11.24 +/- 0.45   0.017% *  0.3742% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  17.90 +/- 0.83   0.001% *  0.3644% (0.97   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  17.63 +/- 0.57   0.001% *  0.1165% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 6.22:
          HZ2   TRP   27 - HE1   TRP   87   4.28 +/- 0.82  99.962% * 99.7535% (0.80   2.00   6.22) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   87  17.14 +/- 0.82   0.038% *  0.2465% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 2 structures by 0.42 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.284, support = 2.95, residual support = 5.12:
      O   HA    TRP   87 - HN    ALA   88   3.28 +/- 0.07  24.384% * 95.2913% (0.28  10.0   2.98   5.18) =  98.842%  kept
          HA    ASP-  86 - HN    ALA   88   4.06 +/- 0.09   6.689% *  3.5255% (0.87   1.0   0.24   0.02) =   1.003%  kept
          HA    SER   85 - HN    ALA   88   2.75 +/- 0.07  68.866% *  0.0529% (0.15   1.0   0.02   0.02) =   0.155%
          HB    THR   77 - HN    ALA   88   9.32 +/- 0.76   0.051% *  0.0529% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  12.33 +/- 0.64   0.009% *  0.0678% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  17.62 +/- 1.07   0.001% *  0.3308% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  29.76 +/- 1.27   0.000% *  0.3164% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  34.94 +/- 2.08   0.000% *  0.2863% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  36.57 +/- 2.57   0.000% *  0.0763% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.605, support = 0.893, residual support = 17.1:
          HA    TRP   87 - HN    ILE   89   4.22 +/- 0.20  91.655% * 76.6615% (0.61   0.91  17.49) =  98.003%  kept
          HA    ASP-  86 - HN    ILE   89   6.38 +/- 0.31   8.311% * 17.2221% (0.53   0.23   0.02) =   1.996%  kept
          HA    LEU  104 - HN    ILE   89  17.02 +/- 1.03   0.023% *  2.6377% (0.95   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    ILE   89  19.77 +/- 0.99   0.009% *  0.4302% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  28.40 +/- 1.24   0.001% *  1.6912% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  33.79 +/- 2.00   0.000% *  1.3572% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.06 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.1:
          HN    ALA   91 - HN    GLN   90   2.24 +/- 0.42  99.977% * 99.1370% (0.92   6.75  32.06) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90  10.27 +/- 0.21   0.019% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  16.81 +/- 1.43   0.001% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  16.16 +/- 1.04   0.002% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  22.97 +/- 1.20   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.354, support = 5.44, residual support = 88.6:
      O   HA    GLN   90 - HN    GLN   90   2.60 +/- 0.24  94.655% * 68.5368% (0.34  10.0   5.49  90.02) =  97.530%  kept
          HA    ALA   91 - HN    GLN   90   4.43 +/- 0.37   5.298% * 31.0095% (0.87   1.0   3.56  32.06) =   2.470%  kept
          HA    ALA  110 - HN    GLN   90  11.22 +/- 1.61   0.030% *  0.0901% (0.45   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    GLN   90  12.04 +/- 1.03   0.014% *  0.1939% (0.97   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  15.74 +/- 0.98   0.002% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  16.13 +/- 1.05   0.002% *  0.0398% (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 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 90.0:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 99.0596% (0.92  10.0 10.00   1.00  90.02) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  27.53 +/- 2.74   0.000% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  29.47 +/- 2.36   0.000% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 90.0:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.965% * 99.4024% (0.76  10.0   1.00  90.02) = 100.000%  kept
          HD21  ASN   35 - HE22  GLN   32   8.02 +/- 1.13   0.017% *  0.0646% (0.25   1.0   0.02   6.43) =   0.000%
          HD1   TRP   49 - HE22  GLN   90  12.15 +/- 2.70   0.019% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  18.11 +/- 2.48   0.000% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  20.82 +/- 1.77   0.000% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  27.01 +/- 2.22   0.000% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  19.75 +/- 0.82   0.000% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  27.53 +/- 2.74   0.000% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  26.90 +/- 2.36   0.000% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  31.47 +/- 1.83   0.000% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  31.77 +/- 1.87   0.000% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  33.97 +/- 2.26   0.000% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.1:
        T HN    GLN   90 - HN    ALA   91   2.24 +/- 0.42  99.837% * 99.6698% (0.95 10.00   6.75  32.06) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91   7.65 +/- 1.44   0.135% *  0.0554% (0.53  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  16.16 +/- 1.04   0.002% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.42 +/- 0.69   0.009% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  19.19 +/- 1.67   0.001% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  10.58 +/- 0.73   0.016% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.15 +/- 1.42   0.001% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.41 +/- 0.77   0.000% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.154, support = 0.02, residual support = 12.4:
          HA    LEU   73 - HN    TRP   27   8.94 +/- 0.61  98.165% * 10.9973% (0.08   0.02  14.30) =  86.860%  kept
          HA    LEU   73 - HN    ALA   91  17.56 +/- 0.71   1.835% * 89.0027% (0.65   0.02   0.02) =  13.140%  kept
    Distance limit 4.30 A violated in 20 structures by 4.61 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.873, support = 2.79, residual support = 24.9:
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.03  41.551% * 89.2967% (1.00  10.0   2.46  12.88) =  85.869%  kept
      O   HA    TRP   27 - HN    TRP   27   2.76 +/- 0.03  58.372% * 10.4606% (0.12  10.0   4.81  97.98) =  14.131%  kept
          HA    VAL  107 - HN    ALA   91  12.05 +/- 1.41   0.011% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  10.45 +/- 1.96   0.053% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  11.97 +/- 1.71   0.012% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  17.72 +/- 0.56   0.001% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  19.47 +/- 0.83   0.000% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.26 +/- 0.64   0.000% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.32 +/- 0.99   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  23.19 +/- 1.56   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.21, residual support = 62.2:
      O   HA    MET   92 - HN    MET   92   2.29 +/- 0.19  99.979% * 99.1845% (0.25  10.0   4.21  62.17) = 100.000%  kept
          HA    PHE   45 - HN    MET   92   9.88 +/- 0.71   0.021% *  0.0992% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    MET   92  21.45 +/- 0.58   0.000% *  0.3185% (0.80   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  24.08 +/- 1.15   0.000% *  0.3978% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 2.89, residual support = 8.97:
      O   HA    ALA   91 - HN    MET   92   2.30 +/- 0.09  99.865% * 99.6892% (0.80  10.0   2.89   8.97) = 100.000%  kept
          HA    PRO   52 - HN    MET   92   7.92 +/- 1.80   0.122% *  0.0855% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  12.38 +/- 1.07   0.005% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  11.52 +/- 1.53   0.009% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  19.65 +/- 0.63   0.000% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 27.0:
        T HN    PHE   45 - HN    THR   94   3.54 +/- 0.39  97.383% * 99.8946% (0.95 10.00   3.30  27.03) =  99.997%  kept
          HN    ALA  110 - HN    THR   94   6.99 +/- 1.47   2.617% *  0.1054% (1.00  1.00   0.02   0.02) =   0.003%
    Distance limit 4.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   8.39 +/- 0.49 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.22 A violated in 20 structures by 4.17 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.09, residual support = 15.6:
      O   HA    PRO   93 - HN    THR   94   2.17 +/- 0.04  99.974% * 99.9112% (0.22  10.0   4.09  15.59) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   9.08 +/- 0.94   0.026% *  0.0888% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (4.91, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.973, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   5.99 +/- 0.24  90.035% * 54.6147% (1.00   0.02   0.02) =  93.748%  kept
          HA    LYS+  74 - HN    THR   94   8.84 +/- 0.60   9.827% * 33.1992% (0.61   0.02   0.02) =   6.220%  kept
          HA    HIS  122 - HN    THR   94  17.77 +/- 1.04   0.138% * 12.1862% (0.22   0.02   0.02) =   0.032%
    Distance limit 3.66 A violated in 20 structures by 2.23 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 45.8:
          HN    VAL  107 - HN    PHE   95   2.73 +/- 0.52  99.993% * 99.0525% (0.97   2.00  45.83) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  15.45 +/- 1.16   0.007% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 73.5:
          QD    PHE   95 - HN    PHE   95   3.24 +/- 0.46  99.799% * 99.3376% (0.87   3.86  73.50) =  99.999%  kept
          HN    ALA   47 - HN    PHE   95  11.20 +/- 0.43   0.075% *  0.5145% (0.87   0.02   0.02) =   0.000%
          QE    PHE   72 - HN    PHE   95  10.68 +/- 1.59   0.126% *  0.1479% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.00 100.000% *100.0000% (1.00  10.0   4.33  73.50) = 100.000%  kept
    Distance limit 4.17 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 = 14.4:
      O   HA    THR   94 - HN    PHE   95   2.17 +/- 0.03  99.975% * 99.8515% (0.65  10.0   3.16  14.41) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95  10.46 +/- 0.47   0.008% *  0.1180% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.26 +/- 0.16   0.017% *  0.0305% (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 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 +/- 0.02 100.000% *100.0000% (0.95  10.0   4.00  11.99) = 100.000%  kept
    Distance limit 3.04 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 = 115.6:
      O   HA    MET   96 - HN    MET   96   2.91 +/- 0.01  99.771% * 99.9800% (0.94  10.0   4.09 115.57) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   8.19 +/- 0.61   0.229% *  0.0200% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 4.41, residual support = 56.7:
        T HN    ASP- 105 - HN    PHE   97   3.66 +/- 0.36  99.917% * 99.9802% (1.00 10.00   4.41  56.69) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  12.85 +/- 0.76   0.083% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.11, residual support = 62.7:
          QD    PHE   97 - HN    PHE   97   3.01 +/- 0.65  99.312% * 98.9954% (0.80   4.11  62.70) =  99.996%  kept
          HZ3   TRP   87 - HN    PHE   97   7.76 +/- 0.83   0.687% *  0.5224% (0.87   0.02   0.02) =   0.004%
          HE3   TRP   49 - HN    PHE   97  22.85 +/- 1.44   0.001% *  0.4822% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.08 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 2.92, residual support = 10.2:
          HA    LYS+ 106 - HN    PHE   97   3.59 +/- 0.35 100.000% *100.0000% (0.98   2.92  10.18) = 100.000%  kept
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 46.5:
      O   HA    MET   96 - HN    PHE   97   2.23 +/- 0.06  99.988% * 99.9800% (0.99  10.0   6.07  46.48) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97  10.19 +/- 0.66   0.012% *  0.0200% (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 519 (9.01, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 5.04, residual support = 28.7:
        T HN    VAL   41 - HN    LEU   98   3.58 +/- 0.96 100.000% *100.0000% (0.69 10.00   5.04  28.75) = 100.000%  kept
    Distance limit 3.84 A violated in 2 structures by 0.23 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.21, residual support = 82.0:
      O   HA    LEU   98 - HN    LEU   98   2.93 +/- 0.02 100.000% *100.0000% (0.80  10.0   5.21  81.96) = 100.000%  kept
    Distance limit 4.06 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 = 3.47, residual support = 11.0:
      O   HA    PHE   97 - HN    LEU   98   2.21 +/- 0.05 100.000% *100.0000% (0.98  10.0   3.47  11.03) = 100.000%  kept
    Distance limit 3.04 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 = 1.45, residual support = 3.74:
          HA    VAL   42 - HN    LEU   98   3.76 +/- 0.76  85.577% * 23.2263% (0.45   0.94   0.63) =  66.120%  kept
          HA    LEU   40 - HN    LEU   98   5.42 +/- 0.82  14.304% * 71.1948% (0.53   2.45   9.81) =  33.876%  kept
          HA    SER   37 - HN    LEU   98  14.59 +/- 0.98   0.032% *  1.0639% (0.97   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   98  15.75 +/- 0.88   0.027% *  1.0639% (0.97   0.02   0.02) =   0.001%
          HA    THR   46 - HN    LEU   98  16.19 +/- 0.48   0.022% *  1.0927% (0.99   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LEU   98  16.23 +/- 1.21   0.020% *  0.8005% (0.73   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   98  18.33 +/- 0.99   0.013% *  0.7573% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  21.46 +/- 2.02   0.004% *  0.8005% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 1 structures by 0.09 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.932, support = 0.804, residual support = 1.48:
          HN    LYS+ 102 - HN    LYS+  99   3.03 +/- 0.83  97.113% * 55.0367% (0.95   0.76   1.51) =  98.220%  kept
          HN    ASP- 105 - HN    LYS+  99   6.45 +/- 0.49   2.287% * 42.2649% (0.18   3.16   0.02) =   1.777%  kept
          HN    THR   39 - HN    LYS+  99   9.84 +/- 0.40   0.175% *  0.5738% (0.38   0.02   0.02) =   0.002%
          HN    GLU-  36 - HN    LYS+  99  12.31 +/- 0.59   0.047% *  1.2241% (0.80   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    GLN   30   9.32 +/- 0.27   0.245% *  0.0804% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  14.88 +/- 0.98   0.016% *  0.6285% (0.41   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.27 +/- 0.37   0.074% *  0.0377% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  13.21 +/- 0.52   0.030% *  0.0413% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  15.64 +/- 1.73   0.007% *  0.0950% (0.06   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  17.59 +/- 0.69   0.005% *  0.0176% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.19 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.17, residual support = 17.0:
      O   HA    LEU   98 - HN    LYS+  99   2.32 +/- 0.08  99.998% * 99.9934% (0.99  10.0   4.17  17.04) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  13.98 +/- 0.76   0.002% *  0.0066% (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 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.19, residual support = 171.8:
      O   HA    LYS+  99 - HN    LYS+  99   2.92 +/- 0.02  99.818% * 99.5300% (0.80  10.0   5.19 171.80) = 100.000%  kept
          HA    ASN   35 - HN    LYS+  99   9.29 +/- 0.71   0.111% *  0.0804% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  16.71 +/- 2.00   0.004% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.77 +/- 0.32   0.041% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  14.41 +/- 1.12   0.008% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  19.39 +/- 1.33   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.66 +/- 1.10   0.011% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  21.95 +/- 0.51   0.001% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  22.59 +/- 1.87   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  16.13 +/- 0.52   0.004% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  22.36 +/- 0.89   0.001% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.48 +/- 1.86   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  24.86 +/- 2.81   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  29.24 +/- 0.82   0.000% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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   3.12 +/- 0.53  96.205% * 99.9864% (1.00 10.00   3.61  14.94) =  99.999%  kept
          HN    LEU   40 - HN    GLU- 100   5.90 +/- 1.05   3.795% *  0.0136% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.83, residual support = 39.4:
      O   HA    LYS+  99 - HN    GLU- 100   2.20 +/- 0.05  89.194% * 99.5956% (0.99  10.0   6.83  39.37) =  99.997%  kept
          HA    LEU   40 - HN    GLU- 100   3.73 +/- 1.08  10.346% *  0.0199% (0.20   1.0   0.02   0.02) =   0.002%
          HA    ASN   35 - HN    GLU- 100   5.91 +/- 1.37   0.459% *  0.0928% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 100  17.40 +/- 2.74   0.001% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.61 +/- 1.92   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  24.72 +/- 0.80   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.89 +/- 1.34   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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   2.77 +/- 0.78  99.595% * 98.8236% (0.95   3.13  12.52) =  99.999%  kept
          HN    GLU-  36 - HN    GLY  101  10.27 +/- 1.41   0.101% *  0.5345% (0.80   0.02   0.02) =   0.001%
          HN    THR   39 - HN    GLY  101   8.81 +/- 1.14   0.183% *  0.2505% (0.38   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.65 +/- 0.56   0.115% *  0.1169% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  15.99 +/- 1.43   0.006% *  0.2744% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.761, residual support = 1.51:
          HN    LYS+  99 - HN    LYS+ 102   3.03 +/- 0.83  99.797% * 93.9961% (0.98   0.76   1.51) =  99.996%  kept
          HE1   HIS  122 - HN    LYS+ 102  13.65 +/- 3.18   0.134% *  2.3836% (0.95   0.02   0.02) =   0.003%
          HN    ASN   35 - HN    LYS+ 102  11.10 +/- 1.51   0.057% *  0.3888% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  15.64 +/- 1.73   0.008% *  0.6283% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  23.79 +/- 2.75   0.001% *  2.1047% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  18.49 +/- 1.72   0.004% *  0.4987% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.13 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   2.77 +/- 0.78  99.943% * 99.9864% (1.00 10.00   3.13  12.52) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102  10.08 +/- 1.38   0.057% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.06 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   3.12 +/- 0.53 100.000% *100.0000% (0.80 10.00   3.61  14.94) = 100.000%  kept
    Distance limit 4.03 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   3.97 +/- 0.62  87.123% * 89.3014% (0.99   1.43   1.42) =  99.340%  kept
          HA    LEU   40 - HN    GLY  101   6.20 +/- 1.08   7.786% *  5.8755% (0.20   0.47   0.02) =   0.584%  kept
          HA    ASN   35 - HN    GLY  101   7.05 +/- 1.39   5.071% *  1.1636% (0.92   0.02   0.02) =   0.075%
          HA    LEU  123 - HN    GLY  101  19.15 +/- 2.58   0.012% *  1.0094% (0.80   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  25.06 +/- 0.82   0.002% *  1.1305% (0.90   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  25.32 +/- 2.03   0.002% *  1.1305% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  22.08 +/- 1.71   0.003% *  0.3891% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.56 +/- 0.18  99.919% * 99.5220% (1.00  10.0   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   8.98 +/- 1.30   0.068% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  12.38 +/- 1.81   0.010% *  0.0833% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  17.50 +/- 1.76   0.001% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.44 +/- 1.14   0.001% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.20 +/- 0.80   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  20.10 +/- 2.96   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  27.73 +/- 2.18   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.56, residual support = 36.5:
          HN    LEU  104 - HN    ILE  103   4.61 +/- 0.06  99.945% * 99.3898% (0.49   6.56  36.49) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  16.60 +/- 1.24   0.055% *  0.6102% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.27 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   2.34 +/- 0.13  99.999% * 99.7796% (0.97  10.0   5.97  22.38) = 100.000%  kept
          HA1   GLY  109 - HN    ILE  103  18.63 +/- 1.14   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ILE  103  21.22 +/- 1.04   0.000% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  21.63 +/- 0.95   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  25.84 +/- 1.96   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  29.12 +/- 0.78   0.000% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 6.99, residual support = 138.1:
      O   HA    ILE  103 - HN    ILE  103   2.76 +/- 0.06  99.977% * 99.2916% (0.98  10.0   6.99 138.15) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  13.72 +/- 0.81   0.007% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  14.13 +/- 0.79   0.006% *  0.0879% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  17.58 +/- 2.13   0.002% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  14.52 +/- 2.47   0.007% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  21.11 +/- 1.19   0.001% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  24.43 +/- 1.49   0.000% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.29 +/- 1.72   0.000% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.53 +/- 1.29   0.000% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  31.43 +/- 3.61   0.000% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  26.10 +/- 2.11   0.000% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  30.33 +/- 2.85   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 6.48, residual support = 38.8:
        T HN    ASP- 105 - HN    LEU  104   2.49 +/- 0.44  99.997% * 99.9802% (1.00 10.00   6.48  38.83) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  15.66 +/- 1.40   0.003% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.67, residual support = 8.33:
          HA    LEU   98 - HN    LEU  104   3.10 +/- 1.08 100.000% *100.0000% (0.80   3.67   8.33) = 100.000%  kept
    Distance limit 3.78 A violated in 1 structures by 0.20 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.01, residual support = 36.5:
      O   HA    ILE  103 - HN    LEU  104   2.31 +/- 0.14  99.987% * 99.2645% (0.95  10.0   6.01  36.49) = 100.000%  kept
          HA    ASP-  44 - HN    LEU  104  11.72 +/- 0.68   0.007% *  0.1049% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  12.53 +/- 0.89   0.004% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  18.33 +/- 1.38   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  16.16 +/- 1.55   0.001% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  20.28 +/- 1.03   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.10 +/- 1.37   0.000% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  24.17 +/- 1.00   0.000% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  24.19 +/- 1.53   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  30.19 +/- 2.86   0.000% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  26.16 +/- 0.91   0.000% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  28.83 +/- 2.19   0.000% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.41, residual support = 56.7:
        T HN    PHE   97 - HN    ASP- 105   3.66 +/- 0.36  99.899% * 99.7623% (0.73 10.00   4.41  56.69) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  12.58 +/- 0.59   0.083% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  15.84 +/- 0.85   0.018% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  29.11 +/- 2.39   0.001% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.09 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 6.48, residual support = 38.8:
        T HN    LEU  104 - HN    ASP- 105   2.49 +/- 0.44  99.995% * 99.9822% (0.87 10.00   6.48  38.83) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  14.09 +/- 0.68   0.005% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.18, residual support = 136.2:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.88 +/- 0.04 100.000% *100.0000% (0.95  10.0   5.18 136.15) = 100.000%  kept
    Distance limit 3.74 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 = 22.0:
      O   HA    ASP- 105 - HN    LYS+ 106   2.44 +/- 0.07  99.999% * 99.6913% (0.92  10.0   3.49  21.98) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  21.51 +/- 0.91   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  24.50 +/- 0.57   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  23.06 +/- 0.57   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  22.58 +/- 0.78   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 4.38, residual support = 42.6:
      O   HA    ASP- 105 - HN    ASP- 105   2.89 +/- 0.03  99.998% * 99.6913% (0.92  10.0   4.38  42.61) = 100.000%  kept
          HA    LEU   80 - HN    ASP- 105  21.46 +/- 0.79   0.001% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  23.25 +/- 0.70   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  22.19 +/- 0.54   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  23.72 +/- 0.56   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.365, support = 6.11, residual support = 36.0:
      O   HA    LEU  104 - HN    ASP- 105   3.54 +/- 0.29  76.994% * 76.6358% (0.34  10.0   6.37  38.83) =  92.163%  kept
          HA    ILE  103 - HN    ASP- 105   4.54 +/- 0.56  22.847% * 21.9604% (0.65   1.0   3.02   2.54) =   7.837%  kept
          HA    ASP-  44 - HN    ASP- 105  10.75 +/- 0.60   0.110% *  0.1877% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP- 105  13.26 +/- 0.81   0.032% *  0.0500% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  16.90 +/- 0.85   0.007% *  0.1799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  18.51 +/- 0.74   0.004% *  0.1717% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  19.74 +/- 0.83   0.003% *  0.1717% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  24.01 +/- 1.34   0.001% *  0.1631% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  28.95 +/- 1.96   0.000% *  0.1877% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  24.08 +/- 0.49   0.001% *  0.0625% (0.28   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  30.48 +/- 2.63   0.000% *  0.1949% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.63 +/- 0.75   0.001% *  0.0347% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 1.5, residual support = 2.39:
          QD    PHE   97 - HN    VAL  107   5.25 +/- 1.04  97.642% * 98.5222% (0.87   1.50   2.39) =  99.971%  kept
          HZ3   TRP   87 - HN    VAL  107  11.16 +/- 0.78   2.245% *  1.2126% (0.80   0.02   0.02) =   0.028%
          HE3   TRP   49 - HN    VAL  107  18.99 +/- 1.62   0.113% *  0.2652% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 9 structures by 1.00 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.8:
      O   HA    LYS+ 106 - HN    VAL  107   2.23 +/- 0.05 100.000% *100.0000% (0.98  10.0   4.58  26.80) = 100.000%  kept
    Distance limit 3.05 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 = 60.2:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  99.767% * 99.7406% (0.95  10.0   3.66  60.18) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   8.52 +/- 0.97   0.206% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  12.85 +/- 1.26   0.018% *  0.1052% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  16.49 +/- 0.53   0.003% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  15.25 +/- 0.97   0.005% *  0.0360% (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 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.82, residual support = 56.7:
          QD    PHE   97 - HN    ASP- 105   3.50 +/- 0.64  99.695% * 99.6152% (0.87   5.82  56.69) =  99.999%  kept
          HZ3   TRP   87 - HN    ASP- 105  10.35 +/- 1.01   0.304% *  0.3158% (0.80   0.02   0.02) =   0.001%
          HE3   TRP   49 - HN    ASP- 105  25.41 +/- 1.71   0.001% *  0.0691% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.269, support = 0.0199, residual support = 0.0199:
          HA    THR   94 - HN    GLY  109   4.68 +/- 0.71  87.566% * 19.2756% (0.26   0.02   0.02) =  84.150%  kept
          HA    MET   92 - HN    GLY  109   6.80 +/- 1.01  12.336% * 25.3346% (0.34   0.02   0.02) =  15.581%  kept
          HA    LYS+  74 - HN    GLY  109  14.81 +/- 1.00   0.097% * 55.3898% (0.74   0.02   0.02) =   0.269%
    Distance limit 4.28 A violated in 5 structures by 0.44 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 = 0.493, support = 2.23, residual support = 8.24:
      O   HA    VAL  108 - HN    GLY  109   2.23 +/- 0.03  76.569% * 31.6430% (0.34  10.0   2.33   7.59) =  60.294%  kept
      O   HA1   GLY  109 - HN    GLY  109   2.76 +/- 0.25  23.424% * 68.1141% (0.73  10.0   2.07   9.23) =  39.706%  kept
          HA    CYS   50 - HN    GLY  109  12.91 +/- 1.71   0.003% *  0.0692% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  12.23 +/- 1.14   0.003% *  0.0400% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  16.33 +/- 1.02   0.001% *  0.0612% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  21.60 +/- 0.89   0.000% *  0.0485% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.39 +/- 0.93   0.000% *  0.0241% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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   3.31 +/- 0.58  99.517% * 97.3110% (0.90   3.04   9.13) =  99.997%  kept
          HN    ILE   56 - HN    ALA  110   9.63 +/- 3.32   0.451% *  0.6990% (0.98   0.02   3.59) =   0.003%
          HN    LEU   63 - HN    ALA  110  15.17 +/- 2.18   0.014% *  0.6583% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  16.41 +/- 1.24   0.010% *  0.6396% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  17.42 +/- 1.00   0.006% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  21.83 +/- 0.93   0.002% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  30.86 +/- 1.58   0.000% *  0.3471% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.42 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   3.38 +/- 0.36  57.879% * 93.8842% (0.69  10.0   2.07   6.39) =  95.722%  kept
          HA    VAL  108 - HN    ALA  110   3.97 +/- 1.03  42.048% *  5.7754% (0.80   1.0   1.06   0.02) =   4.278%  kept
          HA    ALA   47 - HN    ALA  110  12.59 +/- 1.35   0.030% *  0.1226% (0.90   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ALA  110  12.46 +/- 1.89   0.035% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  16.09 +/- 1.59   0.007% *  0.0719% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  22.36 +/- 1.82   0.001% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 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   2.36 +/- 0.24  99.256% * 98.1886% (0.18  10.0   2.74   9.59) =  99.996%  kept
          HA    ALA   91 - HN    ALA  110   8.90 +/- 2.04   0.414% *  0.5594% (1.00   1.0   0.02   0.02) =   0.002%
          HA    VAL  107 - HN    ALA  110   6.56 +/- 0.90   0.298% *  0.5304% (0.95   1.0   0.02   0.02) =   0.002%
          HA    PRO   52 - HN    ALA  110  10.00 +/- 2.34   0.032% *  0.1912% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA  110  21.21 +/- 1.25   0.000% *  0.5304% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 28.0:
        T HN    LYS+ 112 - HN    LYS+ 111   4.31 +/- 0.11  99.878% * 99.8172% (0.99 10.00   5.34  27.98) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  14.21 +/- 1.38   0.090% *  0.0199% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  19.26 +/- 1.49   0.014% *  0.0570% (0.57  1.00   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  18.68 +/- 1.71   0.018% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  39.44 +/- 2.85   0.000% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.32 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   3.31 +/- 0.58  99.936% * 99.9053% (1.00 10.00   3.04   9.13) = 100.000%  kept
          HN    PHE   45 - HN    LYS+ 111  11.63 +/- 1.32   0.064% *  0.0947% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 0.835, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.83 +/- 1.22  50.777% * 58.2608% (1.00   0.02   0.02) =  74.569%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.77 +/- 1.11  33.814% * 19.8732% (0.34   0.02   0.02) =  16.938%  kept
          HD2   HIS  122 - HN    LYS+ 111  14.64 +/- 1.43  15.409% * 21.8659% (0.38   0.02   0.02) =   8.493%  kept
    Distance limit 4.35 A violated in 20 structures by 6.05 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   2.72 +/- 0.19  98.623% * 99.3312% (0.45  10.0   3.04   9.13) =  99.997%  kept
          HA    VAL  107 - HN    LYS+ 111   5.97 +/- 0.86   1.291% *  0.2138% (0.97   1.0   0.02   0.02) =   0.003%
          HA    ALA   91 - HN    LYS+ 111  11.62 +/- 2.14   0.036% *  0.1922% (0.87   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LYS+ 111  10.95 +/- 1.91   0.044% *  0.0438% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  14.53 +/- 1.82   0.005% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  22.67 +/- 1.26   0.000% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.09, residual support = 28.0:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.26 +/- 0.17  99.981% * 99.8075% (0.53  10.0   7.09  27.98) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.52 +/- 0.71   0.018% *  0.1074% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  16.68 +/- 1.38   0.001% *  0.0851% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 4.65, residual support = 23.3:
        T HN    GLU- 114 - HN    ASP- 113   2.62 +/- 0.18  96.919% * 99.7300% (0.81 10.00   4.65  23.30) =  99.997%  kept
          HN    GLN  116 - HN    ASP- 113   4.79 +/- 0.20   2.915% *  0.0946% (0.76  1.00   0.02   1.50) =   0.003%
          HN    THR  118 - HN    ASP- 113   7.79 +/- 0.31   0.155% *  0.0682% (0.55  1.00   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  12.60 +/- 1.19   0.010% *  0.0433% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  22.71 +/- 1.35   0.000% *  0.0639% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 4.65, residual support = 23.3:
        T HN    ASP- 113 - HN    GLU- 114   2.62 +/- 0.18 100.000% *100.0000% (1.00 10.00   4.65  23.30) = 100.000%  kept
    Distance limit 2.98 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 = 3.65, residual support = 44.2:
      O   HA    GLU- 114 - HN    GLU- 114   2.82 +/- 0.04  96.998% * 99.6055% (0.97  10.0   3.65  44.18) =  99.998%  kept
          HA    LEU  115 - HN    GLU- 114   5.05 +/- 0.14   2.988% *  0.0543% (0.53   1.0   0.02  16.00) =   0.002%
          HA    CYS   53 - HN    GLU- 114  12.57 +/- 0.95   0.014% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  24.23 +/- 1.02   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.30 +/- 0.77   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  26.35 +/- 0.78   0.000% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  29.58 +/- 0.65   0.000% *  0.0976% (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 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.18, residual support = 4.52:
          HA    LYS+ 111 - HN    ASP- 113   3.63 +/- 0.29  99.718% * 99.1956% (0.74   2.18   4.52) =  99.999%  kept
          HA    VAL  108 - HN    ASP- 113  10.41 +/- 0.62   0.186% *  0.2620% (0.21   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASP- 113  12.74 +/- 1.08   0.089% *  0.3584% (0.29   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ASP- 113  18.76 +/- 1.45   0.007% *  0.1840% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.42, residual support = 14.2:
      O   HA    ASP- 113 - HN    ASP- 113   2.78 +/- 0.05  99.876% * 99.6702% (0.85  10.0   3.42  14.25) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   9.91 +/- 1.78   0.089% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  11.31 +/- 1.50   0.031% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  16.86 +/- 0.46   0.002% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.10 +/- 0.79   0.000% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  20.77 +/- 1.33   0.001% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  30.05 +/- 0.92   0.000% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.907, support = 7.26, residual support = 78.4:
        T HN    GLN  116 - HN    LEU  115   2.80 +/- 0.07  33.732% * 85.3181% (0.99 10.00   7.93  98.74) =  75.421%  kept
          HN    GLU- 114 - HN    LEU  115   2.51 +/- 0.15  64.686% * 14.4975% (0.65  1.00   5.21  16.00) =  24.576%  kept
          HN    THR  118 - HN    LEU  115   4.71 +/- 0.23   1.564% *  0.0814% (0.95  1.00   0.02   0.02) =   0.003%
          HN    PHE   60 - HN    LEU  115  10.16 +/- 0.82   0.018% *  0.0658% (0.76  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  19.16 +/- 1.20   0.000% *  0.0239% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  25.96 +/- 0.93   0.000% *  0.0133% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 7.93, residual support = 98.7:
        T HN    LEU  115 - HN    GLN  116   2.80 +/- 0.07  99.991% * 99.8619% (0.98 10.00   7.93  98.74) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.57 +/- 0.77   0.009% *  0.0999% (0.98  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  33.00 +/- 2.25   0.000% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.49, residual support = 27.1:
        T HN    SER  117 - HN    GLN  116   2.72 +/- 0.12  99.999% * 99.8966% (0.97 10.00   5.49  27.11) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  21.11 +/- 1.30   0.001% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  26.36 +/- 1.02   0.000% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.97, support = 4.22, residual support = 16.7:
        T HN    GLN  116 - HN    SER  117   2.72 +/- 0.12  50.090% * 50.9371% (0.99 10.00   5.49  27.11) =  52.216%  kept
        T HN    THR  118 - HN    SER  117   2.74 +/- 0.15  48.026% * 48.6147% (0.95 10.00   2.83   5.25) =  47.782%  kept
          HN    GLU- 114 - HN    SER  117   4.71 +/- 0.23   1.873% *  0.0332% (0.65  1.00   0.02   0.10) =   0.001%
        T HN    PHE   60 - HN    SER  117  11.32 +/- 0.68   0.010% *  0.3928% (0.76 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  18.45 +/- 1.32   0.001% *  0.0143% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  25.48 +/- 1.13   0.000% *  0.0079% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 1.91, residual support = 114.0:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.991% * 99.8050% (0.95  10.0   1.91 114.04) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   9.84 +/- 2.41   0.009% *  0.1064% (0.96   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  16.38 +/- 1.58   0.000% *  0.0580% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  21.61 +/- 1.87   0.000% *  0.0306% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 1.91, residual support = 114.0:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.784% * 99.7477% (0.90  10.0 10.00   1.91 114.04) = 100.000%  kept
          HN    ALA  120 - HE22  GLN  116   5.60 +/- 1.16   0.211% *  0.1090% (0.98   1.0  1.00   0.02   0.26) =   0.000%
          HN    ALA   57 - HE22  GLN  116  11.95 +/- 2.54   0.002% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  10.78 +/- 1.77   0.003% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  27.06 +/- 2.22   0.000% *  0.0309% (0.28   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 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HN    GLN  116   3.87 +/- 0.22  96.950% * 91.8913% (1.00   0.75   1.50) =  99.949%  kept
          HA    PHE   59 - HN    GLN  116   7.77 +/- 0.82   1.938% *  1.4896% (0.61   0.02   0.64) =   0.032%
          HA    ILE   56 - HN    GLN  116   8.60 +/- 0.84   1.002% *  1.4896% (0.61   0.02   0.02) =   0.017%
          HA    LEU  123 - HN    GLN  116  12.55 +/- 0.67   0.097% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  19.53 +/- 1.24   0.007% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  19.95 +/- 1.00   0.006% *  0.3789% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  26.43 +/- 1.31   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 114.0:
      O   HA    GLN  116 - HN    GLN  116   2.76 +/- 0.04  99.995% * 99.5202% (1.00  10.0   6.98 114.04) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  18.51 +/- 1.58   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  17.84 +/- 0.99   0.001% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  20.71 +/- 2.04   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  19.91 +/- 1.44   0.001% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  25.96 +/- 1.78   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  28.34 +/- 1.25   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  27.74 +/- 0.99   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  28.86 +/- 0.88   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (4.13, 8.40, 122.87 ppm):
    9 chemical-shift based assignments, quality = 0.953, support = 7.34, residual support = 200.2:
      O   HA    LEU  115 - HN    LEU  115   2.78 +/- 0.03  81.536% * 60.5049% (1.00  10.0   7.69 227.29) =  87.203%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.56 +/- 0.04  18.455% * 39.2280% (0.65  10.0   4.97  16.00) =  12.797%  kept
          HA    ARG+  54 - HN    LEU  115  13.52 +/- 0.75   0.007% *  0.0392% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.44 +/- 0.65   0.001% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  23.02 +/- 1.22   0.000% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  24.51 +/- 0.72   0.000% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.38 +/- 0.96   0.000% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  22.38 +/- 1.09   0.000% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  27.49 +/- 0.68   0.000% *  0.0187% (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 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.53, residual support = 15.0:
      O   HA    SER  117 - HN    SER  117   2.74 +/- 0.04  99.993% * 99.4282% (0.38  10.0   3.53  15.01) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  13.64 +/- 0.85   0.007% *  0.2506% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  28.21 +/- 1.00   0.000% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  27.57 +/- 0.94   0.000% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.6, residual support = 55.7:
        T HN    ILE  119 - HN    ALA  120   2.56 +/- 0.04  99.999% * 99.2864% (0.83 10.00   5.60  55.67) = 100.000%  kept
        T HN    CYS   21 - HN    ALA  120  21.67 +/- 0.95   0.000% *  0.4963% (0.41 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  21.22 +/- 0.85   0.000% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  23.77 +/- 2.02   0.000% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 6.79, residual support = 50.0:
          HN    HIS  122 - HN    LYS+ 121   2.74 +/- 0.02  99.452% * 99.4585% (0.80   6.79  50.05) = 100.000%  kept
          QE    PHE   59 - HN    LYS+ 121   6.77 +/- 0.68   0.535% *  0.0731% (0.20   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+ 121  12.49 +/- 0.87   0.012% *  0.1778% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  19.52 +/- 1.48   0.001% *  0.2906% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 5.3, residual support = 31.1:
          HN    LEU  123 - HN    HIS  122   2.11 +/- 0.09  99.889% * 99.5346% (0.26   5.30  31.06) = 100.000%  kept
          HN    ALA  124 - HN    HIS  122   6.58 +/- 0.07   0.111% *  0.1291% (0.09   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  19.52 +/- 1.02   0.000% *  0.1766% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  24.02 +/- 1.84   0.000% *  0.1598% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 5.3, residual support = 31.1:
          HN    HIS  122 - HN    LEU  123   2.11 +/- 0.09  99.969% * 99.0412% (0.87   5.30  31.06) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   8.86 +/- 0.90   0.030% *  0.2268% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  13.62 +/- 0.75   0.001% *  0.3867% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  21.50 +/- 2.07   0.000% *  0.3452% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 4.11, residual support = 12.4:
      O   HA    LEU  123 - HN    ALA  124   2.29 +/- 0.01  99.995% * 99.5133% (1.00  10.0   4.11  12.38) = 100.000%  kept
          HA    LEU   40 - HN    ALA  124  16.23 +/- 3.23   0.002% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  17.04 +/- 2.72   0.001% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.15 +/- 0.71   0.001% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  19.09 +/- 0.99   0.000% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  17.45 +/- 0.98   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  23.04 +/- 3.63   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  19.85 +/- 2.81   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  23.88 +/- 3.63   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 1.82, residual support = 9.25:
      O   HA    ALA  124 - HN    ALA  124   2.70 +/- 0.25  99.994% * 99.5743% (1.00  10.0   1.82   9.25) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  15.26 +/- 0.77   0.004% *  0.0493% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  20.86 +/- 3.77   0.001% *  0.0339% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  23.98 +/- 1.01   0.000% *  0.1061% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  25.87 +/- 4.11   0.000% *  0.0755% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  22.13 +/- 2.80   0.001% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  27.34 +/- 2.88   0.000% *  0.0535% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  32.64 +/- 1.81   0.000% *  0.0880% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 4.25, residual support = 31.1:
      O   HA    HIS  122 - HN    LEU  123   3.42 +/- 0.05  99.979% * 99.8702% (1.00  10.0   4.25  31.06) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  15.68 +/- 2.29   0.017% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.02 +/- 0.85   0.003% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.18 +/- 1.11   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.95, residual support = 199.4:
      O   HA    LEU  123 - HN    LEU  123   2.86 +/- 0.04  99.948% * 99.5133% (1.00  10.0   5.95 199.43) = 100.000%  kept
          HA    LYS+  99 - HN    LEU  123  14.42 +/- 2.26   0.011% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  13.91 +/- 2.63   0.018% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LEU  123  12.91 +/- 0.59   0.013% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  15.98 +/- 0.93   0.004% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  15.21 +/- 0.92   0.005% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  21.20 +/- 2.71   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  19.15 +/- 1.76   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  24.09 +/- 2.41   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.51, residual support = 67.1:
          HD2   HIS  122 - HN    HIS  122   3.22 +/- 0.58  99.645% * 97.1448% (0.11   6.51  67.14) =  99.999%  kept
          HE22  GLN  116 - HN    HIS  122   9.01 +/- 1.45   0.352% *  0.3298% (0.12   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    HIS  122  20.78 +/- 0.95   0.002% *  0.9478% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  28.33 +/- 2.23   0.000% *  0.8387% (0.31   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  27.48 +/- 1.63   0.000% *  0.7389% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 585 (4.88, 7.24, 114.00 ppm):
    3 chemical-shift based assignments, quality = 0.295, support = 5.13, residual support = 67.1:
      O   HA    HIS  122 - HN    HIS  122   2.92 +/- 0.01  99.985% * 99.8131% (0.30  10.0   5.13  67.14) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  14.05 +/- 2.06   0.013% *  0.1192% (0.35   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.24 +/- 0.89   0.002% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.562, support = 5.61, residual support = 233.4:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.75 +/- 0.01  80.321% * 38.4533% (0.49  10.0   6.31 315.59) =  73.795%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.53 +/- 0.02  17.925% * 61.1842% (0.77  10.0   3.65   1.78) =  26.204%  kept
          QB    SER  117 - HN    LYS+ 121   5.32 +/- 0.45   1.746% *  0.0176% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  14.64 +/- 1.04   0.004% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.13 +/- 0.74   0.002% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  18.12 +/- 1.29   0.001% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  24.05 +/- 0.82   0.000% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  23.81 +/- 1.31   0.000% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  23.64 +/- 1.08   0.000% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  22.05 +/- 1.53   0.000% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  24.22 +/- 1.63   0.000% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  23.43 +/- 0.88   0.000% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 14.1:
      O   HA    ALA  120 - HN    ALA  120   2.74 +/- 0.03  95.505% * 99.2369% (0.74  10.0   3.61  14.09) =  99.999%  kept
          HA    LYS+ 121 - HN    ALA  120   5.21 +/- 0.06   2.049% *  0.0465% (0.35   1.0   0.02   1.78) =   0.001%
          QB    SER  117 - HN    ALA  120   5.08 +/- 0.15   2.434% *  0.0168% (0.12   1.0   0.02   6.25) =   0.000%
          HA    LYS+  65 - HN    ALA  120  13.91 +/- 0.83   0.006% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  17.95 +/- 1.31   0.001% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.11 +/- 0.64   0.002% *  0.0556% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.62 +/- 1.53   0.001% *  0.0652% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  24.53 +/- 0.78   0.000% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  22.94 +/- 1.33   0.000% *  0.0702% (0.52   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  21.91 +/- 1.10   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  23.93 +/- 0.88   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  25.81 +/- 1.63   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  24.04 +/- 1.46   0.000% *  0.0191% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 4.21, residual support = 12.4:
          HB2   LEU  123 - HN    ALA  124   3.96 +/- 0.37  99.332% * 96.2115% (0.76   4.21  12.38) =  99.997%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.60 +/- 0.14   0.549% *  0.4348% (0.73   0.02   0.02) =   0.002%
          QD    LYS+  65 - HN    ALA  124  13.97 +/- 1.10   0.064% *  0.4576% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA  124  18.45 +/- 3.52   0.024% *  0.5664% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  20.27 +/- 2.44   0.010% *  0.5664% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  22.33 +/- 1.27   0.004% *  0.4794% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  21.46 +/- 0.72   0.004% *  0.2914% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  22.16 +/- 2.71   0.005% *  0.1493% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  21.81 +/- 1.87   0.005% *  0.1185% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  25.19 +/- 1.06   0.002% *  0.2247% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  29.25 +/- 2.32   0.001% *  0.5001% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.13 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.82, residual support = 9.25:
      O   QB    ALA  124 - HN    ALA  124   2.32 +/- 0.34  99.982% * 98.5559% (0.65  10.0   1.82   9.25) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  12.64 +/- 1.65   0.009% *  0.0630% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  16.14 +/- 2.61   0.003% *  0.0950% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  15.21 +/- 1.27   0.002% *  0.0950% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  18.71 +/- 0.72   0.001% *  0.1456% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  19.60 +/- 2.24   0.001% *  0.1283% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  18.91 +/- 1.38   0.001% *  0.1283% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  21.70 +/- 2.99   0.000% *  0.1153% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.05 +/- 1.01   0.000% *  0.1505% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  19.46 +/- 1.38   0.000% *  0.0817% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  22.25 +/- 2.78   0.000% *  0.1086% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  23.85 +/- 3.96   0.000% *  0.0817% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  25.58 +/- 1.44   0.000% *  0.1456% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  22.90 +/- 3.03   0.000% *  0.0294% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  25.76 +/- 3.20   0.000% *  0.0294% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  30.39 +/- 2.18   0.000% *  0.0467% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.985, support = 3.57, residual support = 24.4:
          HA    ALA  120 - HN    LEU  123   2.62 +/- 0.11  92.139% * 67.4677% (0.99   3.63  25.22) =  96.333%  kept
          HA    LYS+ 121 - HN    LEU  123   4.00 +/- 0.11   7.763% * 30.4753% (0.84   1.94   2.18) =   3.666%  kept
          QB    SER  117 - HN    LEU  123   8.38 +/- 0.42   0.088% *  0.1826% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.10 +/- 0.94   0.006% *  0.2577% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  16.37 +/- 1.53   0.002% *  0.2867% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  18.95 +/- 0.68   0.001% *  0.3365% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  25.61 +/- 1.24   0.000% *  0.3621% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  25.67 +/- 0.92   0.000% *  0.2867% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  26.47 +/- 1.19   0.000% *  0.2867% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  24.41 +/- 1.20   0.000% *  0.0579% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 595 (2.76, 7.46, 121.46 ppm):
    5 chemical-shift based assignments, quality = 0.988, support = 4.68, residual support = 30.6:
          HB3   HIS  122 - HN    LEU  123   3.73 +/- 0.43  91.989% * 84.5786% (0.99   4.73  31.06) =  98.470%  kept
          QE    LYS+ 121 - HN    LEU  123   6.37 +/- 1.03   8.006% * 15.0967% (0.76   1.10   2.18) =   1.530%  kept
          HG2   GLN   30 - HN    LEU  123  22.94 +/- 2.10   0.003% *  0.1003% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  29.81 +/- 1.32   0.000% *  0.1756% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  26.55 +/- 2.12   0.001% *  0.0488% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 5.51, residual support = 199.4:
          HG    LEU  123 - HN    LEU  123   3.51 +/- 0.22  94.902% * 96.6340% (0.76   5.52 199.43) =  99.989%  kept
          HG3   PRO   68 - HN    LEU  123  10.75 +/- 3.38   1.572% *  0.3977% (0.87   0.02   0.02) =   0.007%
          QB    LYS+  66 - HN    LEU  123   6.99 +/- 1.16   3.026% *  0.0907% (0.20   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    LEU  123   9.51 +/- 0.79   0.296% *  0.3504% (0.76   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU  123  16.51 +/- 2.65   0.101% *  0.2232% (0.49   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  16.79 +/- 2.25   0.035% *  0.3830% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU  123  13.46 +/- 0.67   0.033% *  0.2056% (0.45   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  16.25 +/- 2.03   0.015% *  0.1564% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  20.56 +/- 2.40   0.003% *  0.2966% (0.65   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  15.77 +/- 1.50   0.013% *  0.0621% (0.14   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  22.63 +/- 1.26   0.001% *  0.3672% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  23.04 +/- 1.77   0.001% *  0.3504% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  26.56 +/- 1.00   0.001% *  0.2596% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  27.85 +/- 1.24   0.000% *  0.2232% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.11 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 5.84, residual support = 199.4:
      O   HB2   LEU  123 - HN    LEU  123   2.50 +/- 0.43  97.878% * 99.1788% (0.76  10.0   5.84 199.43) =  99.998%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.11 +/- 0.13   2.107% *  0.0942% (0.73   1.0   0.02   2.18) =   0.002%
          QD    LYS+  65 - HN    LEU  123  13.65 +/- 0.96   0.006% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  17.58 +/- 2.67   0.003% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  17.47 +/- 2.19   0.002% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  18.37 +/- 1.35   0.001% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.64 +/- 0.69   0.001% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.36 +/- 2.01   0.001% *  0.0324% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  18.72 +/- 1.37   0.001% *  0.0257% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.02 +/- 1.12   0.000% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  25.45 +/- 1.91   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.07 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.893, support = 6.38, residual support = 199.4:
          QD1   LEU  123 - HN    LEU  123   2.32 +/- 0.35  96.036% * 85.1307% (0.90   6.38 199.43) =  99.446%  kept
          QD2   LEU  123 - HN    LEU  123   4.21 +/- 0.12   3.269% * 13.8892% (0.15   6.05 199.43) =   0.552%  kept
          QG1   VAL   70 - HN    LEU  123   8.38 +/- 2.38   0.564% *  0.2043% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    LEU  123  10.78 +/- 1.41   0.019% *  0.2948% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   8.55 +/- 1.52   0.104% *  0.0459% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  14.24 +/- 2.78   0.006% *  0.2667% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  15.14 +/- 1.14   0.002% *  0.1684% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.248, support = 6.42, residual support = 33.1:
      O   HA    LYS+ 121 - HN    HIS  122   3.51 +/- 0.03  47.621% * 66.0690% (0.20  10.0   6.64  50.05) =  64.571%  kept
          HA    ALA  120 - HN    HIS  122   3.46 +/- 0.17  51.895% * 33.2642% (0.33   1.0   6.03   2.12) =  35.428%  kept
          QB    SER  117 - HN    HIS  122   7.69 +/- 0.38   0.450% *  0.0291% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    HIS  122  12.85 +/- 1.02   0.022% *  0.1077% (0.33   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  16.02 +/- 1.29   0.006% *  0.1126% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  17.06 +/- 0.76   0.004% *  0.0755% (0.23   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  24.69 +/- 1.26   0.000% *  0.1126% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  24.26 +/- 1.21   0.000% *  0.0892% (0.27   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  23.10 +/- 1.16   0.001% *  0.0398% (0.12   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  24.57 +/- 0.86   0.000% *  0.0568% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  23.00 +/- 2.19   0.001% *  0.0231% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  24.49 +/- 1.21   0.000% *  0.0204% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.268, support = 5.17, residual support = 13.0:
          HA    ILE  119 - HN    HIS  122   3.73 +/- 0.19  92.467% * 61.8465% (0.27   5.23  13.61) =  95.322%  kept
          HA    THR  118 - HN    HIS  122   5.72 +/- 0.24   7.495% * 37.4457% (0.21   3.99   0.35) =   4.678%  kept
          HD3   PRO   58 - HN    HIS  122  14.85 +/- 0.69   0.026% *  0.0861% (0.10   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  18.45 +/- 0.75   0.007% *  0.0955% (0.11   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  21.04 +/- 1.33   0.003% *  0.1629% (0.19   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  22.69 +/- 1.41   0.002% *  0.1507% (0.17   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  27.80 +/- 1.26   0.001% *  0.2126% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 5.25, residual support = 67.1:
      O   HB2   HIS  122 - HN    HIS  122   3.37 +/- 0.54  98.493% * 99.5910% (0.11  10.0   5.25  67.14) =  99.999%  kept
          HA    LEU   63 - HN    HIS  122   7.70 +/- 1.30   1.470% *  0.0565% (0.06   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    HIS  122  13.21 +/- 0.87   0.037% *  0.1827% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  25.99 +/- 1.54   0.001% *  0.1698% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.324, support = 5.87, residual support = 66.9:
      O   HB3   HIS  122 - HN    HIS  122   2.87 +/- 0.35  92.312% * 82.7090% (0.33  10.0   5.86  67.14) =  98.296%  kept
          QE    LYS+ 121 - HN    HIS  122   5.42 +/- 0.97   7.687% * 17.2174% (0.21   1.0   6.34  50.05) =   1.704%  kept
          HG2   GLN   30 - HN    HIS  122  21.37 +/- 1.87   0.001% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    HIS  122  28.15 +/- 1.28   0.000% *  0.0580% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.319, support = 7.22, residual support = 48.3:
          HB2   LYS+ 121 - HN    HIS  122   3.43 +/- 0.19  77.909% * 72.2572% (0.33   7.41  50.05) =  90.570%  kept
          HB2   LEU  123 - HN    HIS  122   4.35 +/- 0.49  22.003% * 26.6375% (0.17   5.31  31.06) =   9.430%  kept
          QD    LYS+  65 - HN    HIS  122  13.56 +/- 1.05   0.023% *  0.1988% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  16.81 +/- 2.25   0.010% *  0.2042% (0.35   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  16.04 +/- 2.13   0.012% *  0.1496% (0.26   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  16.97 +/- 1.26   0.006% *  0.1084% (0.19   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.47 +/- 0.94   0.016% *  0.0361% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  17.22 +/- 1.33   0.006% *  0.0847% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.68 +/- 0.73   0.006% *  0.0514% (0.09   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  23.50 +/- 1.91   0.001% *  0.2042% (0.35   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  17.24 +/- 0.86   0.005% *  0.0318% (0.05   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.44 +/- 1.07   0.003% *  0.0361% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.31, support = 6.48, residual support = 50.0:
          HB3   LYS+ 121 - HN    HIS  122   3.81 +/- 0.38  65.961% * 67.2804% (0.35   6.34  50.05) =  82.130%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.68 +/- 0.92  30.397% * 31.7452% (0.15   7.13  50.05) =  17.858%  kept
          QD    LYS+  66 - HN    HIS  122   7.99 +/- 2.26   3.429% *  0.1735% (0.28   0.02   0.02) =   0.011%
          HG    LEU  104 - HN    HIS  122  10.99 +/- 1.55   0.153% *  0.2123% (0.35   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    HIS  122  14.61 +/- 0.82   0.018% *  0.2000% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  13.86 +/- 1.28   0.030% *  0.0739% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  17.59 +/- 0.93   0.006% *  0.1943% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  19.63 +/- 1.31   0.003% *  0.0602% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  20.63 +/- 2.58   0.003% *  0.0602% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.05 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.307, support = 6.33, residual support = 31.1:
          QD1   LEU  123 - HN    HIS  122   3.11 +/- 0.58  95.593% * 98.4908% (0.31   6.33  31.06) =  99.986%  kept
          QG1   VAL   70 - HN    HIS  122   7.63 +/- 1.86   2.812% *  0.3558% (0.35   0.02   0.02) =   0.011%
          HB3   LEU   63 - HN    HIS  122   7.48 +/- 1.34   1.108% *  0.2322% (0.23   0.02   0.02) =   0.003%
          HB3   LEU  104 - HN    HIS  122   9.13 +/- 1.40   0.409% *  0.1888% (0.19   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    HIS  122  13.20 +/- 2.48   0.049% *  0.3114% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    HIS  122  14.10 +/- 1.13   0.017% *  0.3581% (0.35   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  15.11 +/- 0.53   0.012% *  0.0629% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.56, support = 3.3, residual support = 6.08:
          HA    ILE  119 - HN    LYS+ 121   3.77 +/- 0.10  42.945% * 64.1484% (0.61   3.80   5.93) =  58.096%  kept
          HA    THR  118 - HN    LYS+ 121   3.59 +/- 0.20  57.032% * 34.8412% (0.49   2.60   6.30) =  41.904%  kept
          HD3   PRO   58 - HN    LYS+ 121  14.39 +/- 0.86   0.015% *  0.1229% (0.22   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    LYS+ 121  16.44 +/- 0.62   0.006% *  0.1364% (0.25   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  21.28 +/- 0.90   0.001% *  0.2325% (0.42   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  22.09 +/- 0.94   0.001% *  0.2151% (0.39   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  26.91 +/- 1.59   0.000% *  0.3035% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 6.83, residual support = 315.6:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.15 +/- 0.26  99.034% * 99.3852% (0.76  10.0   6.83 315.59) =  99.999%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.17 +/- 0.60   0.957% *  0.0511% (0.39   1.0   0.02   2.18) =   0.000%
          QD    LYS+  65 - HN    LYS+ 121  14.92 +/- 1.03   0.001% *  0.1014% (0.77   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  15.50 +/- 1.69   0.001% *  0.0553% (0.42   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  16.10 +/- 1.82   0.001% *  0.0763% (0.58   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  18.29 +/- 2.00   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.28 +/- 1.08   0.002% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  14.30 +/- 0.76   0.001% *  0.0262% (0.20   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  17.59 +/- 1.19   0.001% *  0.0432% (0.33   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  14.80 +/- 0.91   0.001% *  0.0162% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  23.39 +/- 1.57   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  17.94 +/- 1.42   0.000% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.542, support = 5.34, residual support = 240.4:
          HD2   LYS+ 121 - HN    LYS+ 121   3.25 +/- 0.64  40.005% * 81.4672% (0.64   5.89 315.59) =  76.052%  kept
          QB    ALA  120 - HN    LYS+ 121   2.93 +/- 0.04  59.790% * 17.1641% (0.22   3.58   1.78) =  23.948%  kept
          QD    LYS+  66 - HN    LYS+ 121   9.55 +/- 2.00   0.121% *  0.1419% (0.33   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+ 121   9.76 +/- 0.93   0.059% *  0.0960% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  12.32 +/- 1.93   0.019% *  0.1681% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  15.33 +/- 1.36   0.004% *  0.2995% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  18.91 +/- 0.98   0.001% *  0.3445% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  20.46 +/- 0.89   0.001% *  0.3187% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 5.86, residual support = 315.6:
          HG2   LYS+ 121 - HN    LYS+ 121   3.97 +/- 0.26  90.842% * 99.0691% (0.77   5.86 315.59) =  99.989%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.14 +/- 0.29   7.500% *  0.0693% (0.16   0.02   5.93) =   0.006%
          QG2   VAL  107 - HN    LYS+ 121   8.49 +/- 0.41   1.087% *  0.3471% (0.79   0.02   0.02) =   0.004%
          HG13  ILE  103 - HN    LYS+ 121  13.51 +/- 2.13   0.559% *  0.2266% (0.52   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    LYS+ 121  19.81 +/- 0.83   0.007% *  0.2266% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  20.71 +/- 1.69   0.005% *  0.0613% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.14 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.714, support = 2.19, residual support = 2.18:
          QD1   LEU  123 - HN    LYS+ 121   4.39 +/- 0.11  85.037% * 90.0571% (0.72   2.20   2.18) =  99.232%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.51 +/- 0.14   8.068% *  6.9400% (0.12   0.99   2.18) =   0.726%  kept
          HB3   LEU  104 - HN    LYS+ 121   9.11 +/- 1.29   1.701% *  0.9032% (0.79   0.02   0.02) =   0.020%
          QG1   VAL   70 - HN    LYS+ 121   9.37 +/- 1.55   1.751% *  0.6260% (0.55   0.02   0.02) =   0.014%
          HB3   LEU   63 - HN    LYS+ 121   8.33 +/- 1.47   3.224% *  0.1406% (0.12   0.02   0.02) =   0.006%
          QD1   LEU   71 - HN    LYS+ 121  14.57 +/- 2.07   0.154% *  0.8173% (0.72   0.02   0.02) =   0.002%
          QG1   VAL   18 - HN    LYS+ 121  14.87 +/- 1.09   0.063% *  0.5159% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.26 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.03, residual support = 55.7:
          HB    ILE  119 - HN    ALA  120   2.55 +/- 0.10  99.967% * 97.4767% (0.90   5.03  55.67) = 100.000%  kept
          HB3   PRO   68 - HN    ALA  120  14.70 +/- 2.50   0.007% *  0.2397% (0.56   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ALA  120  11.51 +/- 0.82   0.013% *  0.1220% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  13.58 +/- 1.92   0.006% *  0.1772% (0.41   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA  120  14.76 +/- 0.53   0.003% *  0.3301% (0.77   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  19.26 +/- 1.06   0.001% *  0.3020% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  20.95 +/- 1.78   0.000% *  0.3943% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  21.59 +/- 1.59   0.000% *  0.3873% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  18.27 +/- 1.49   0.001% *  0.0985% (0.23   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  23.30 +/- 1.78   0.000% *  0.3738% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  18.81 +/- 0.97   0.001% *  0.0985% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 4.02, residual support = 14.1:
      O   QB    ALA  120 - HN    ALA  120   2.12 +/- 0.04  99.235% * 99.1734% (0.49  10.0   4.02  14.09) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.30 +/- 0.83   0.651% *  0.0992% (0.49   1.0   0.02   1.78) =   0.001%
          HG    LEU  115 - HN    ALA  120   8.07 +/- 1.17   0.052% *  0.0992% (0.49   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   8.70 +/- 1.74   0.048% *  0.0373% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  11.45 +/- 2.22   0.011% *  0.0291% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  13.87 +/- 2.03   0.002% *  0.1441% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  14.26 +/- 1.21   0.001% *  0.1143% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  18.45 +/- 0.98   0.000% *  0.1740% (0.85   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  20.81 +/- 0.89   0.000% *  0.1295% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 5.63, residual support = 55.7:
          QG2   ILE  119 - HN    ALA  120   3.39 +/- 0.21  98.885% * 96.6193% (0.49   5.63  55.67) =  99.994%  kept
          QD1   LEU   67 - HN    ALA  120   9.21 +/- 2.31   0.836% *  0.5220% (0.74   0.02   0.02) =   0.005%
          QD2   LEU   40 - HN    ALA  120  11.00 +/- 1.60   0.116% *  0.4982% (0.71   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    ALA  120  12.03 +/- 1.31   0.081% *  0.5846% (0.83   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  14.29 +/- 1.90   0.053% *  0.4734% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  15.58 +/- 1.99   0.022% *  0.5445% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  18.53 +/- 1.21   0.005% *  0.6291% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  19.89 +/- 1.47   0.003% *  0.1290% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.249, support = 2.79, residual support = 15.0:
      O   QB    SER  117 - HN    SER  117   2.15 +/- 0.08  99.882% * 97.2780% (0.25  10.0   2.79  15.01) = 100.000%  kept
          HA    ALA  120 - HN    SER  117   7.22 +/- 0.33   0.075% *  0.3690% (0.95   1.0   0.02   6.25) =   0.000%
          HA    LYS+ 121 - HN    SER  117   8.13 +/- 0.64   0.040% *  0.2209% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER  117  14.68 +/- 1.06   0.001% *  0.2524% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.27 +/- 0.69   0.000% *  0.3601% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  18.43 +/- 1.99   0.000% *  0.1331% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  21.52 +/- 1.20   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  19.92 +/- 1.48   0.000% *  0.1899% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  21.75 +/- 1.75   0.000% *  0.2981% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  23.29 +/- 0.87   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  22.08 +/- 1.14   0.000% *  0.0683% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  27.85 +/- 0.98   0.000% *  0.0772% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.385, support = 5.12, residual support = 27.1:
          HG3   GLN  116 - HN    SER  117   5.04 +/- 0.65  44.012% * 69.0033% (0.49   5.00  27.11) =  64.704%  kept
          HG2   GLN  116 - HN    SER  117   4.82 +/- 0.46  55.259% * 29.9777% (0.20   5.34  27.11) =  35.294%  kept
          HB3   PHE   95 - HN    SER  117  10.19 +/- 0.45   0.708% *  0.1415% (0.25   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    SER  117  18.49 +/- 0.91   0.020% *  0.3213% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  31.89 +/- 0.88   0.001% *  0.5562% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.41 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.84, residual support = 27.1:
          HB2   GLN  116 - HN    SER  117   3.15 +/- 0.22  99.939% * 98.7613% (0.97   4.84  27.11) = 100.000%  kept
          HB3   PHE   97 - HN    SER  117  12.44 +/- 1.05   0.032% *  0.4225% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    SER  117  12.90 +/- 1.18   0.028% *  0.3068% (0.73   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  22.60 +/- 1.28   0.001% *  0.3790% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  24.81 +/- 1.31   0.000% *  0.1304% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.05 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 6.98, residual support = 114.0:
          HG2   GLN  116 - HN    GLN  116   3.50 +/- 0.37  99.727% * 99.4009% (0.73   6.98 114.04) =  99.999%  kept
          HB3   PHE   95 - HN    GLN  116   9.75 +/- 0.53   0.273% *  0.3142% (0.80   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HN    GLN  116  31.23 +/- 0.97   0.000% *  0.2849% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.09 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.57, residual support = 114.0:
      O   HB2   GLN  116 - HN    GLN  116   2.08 +/- 0.06  99.991% * 99.6757% (0.98  10.0   7.57 114.04) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116  10.84 +/- 1.22   0.007% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.26 +/- 1.19   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  23.80 +/- 1.43   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  23.45 +/- 1.38   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  26.86 +/- 1.11   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 0.798, support = 7.32, residual support = 96.1:
          HB2   LEU  115 - HN    GLN  116   3.07 +/- 0.49  92.378% * 68.1711% (0.80   7.41  98.74) =  97.352%  kept
          QB    GLU- 114 - HN    GLN  116   5.25 +/- 0.26   5.537% * 30.9248% (0.69   3.92   0.21) =   2.647%  kept
          HB2   LYS+ 111 - HN    GLN  116   6.47 +/- 0.71   1.985% *  0.0355% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    GLN  116  11.20 +/- 1.08   0.077% *  0.1919% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  18.16 +/- 2.85   0.005% *  0.1919% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLN  116  15.04 +/- 1.29   0.009% *  0.0945% (0.41   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  21.15 +/- 1.17   0.001% *  0.1756% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  17.01 +/- 1.15   0.004% *  0.0455% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  20.25 +/- 1.01   0.001% *  0.0455% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  21.08 +/- 1.38   0.001% *  0.0455% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  30.55 +/- 0.90   0.000% *  0.0784% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.857, support = 8.23, residual support = 98.7:
          HB3   LEU  115 - HN    GLN  116   3.72 +/- 0.52  43.725% * 56.3017% (0.98   8.11  98.74) =  51.515%  kept
          HG    LEU  115 - HN    GLN  116   3.52 +/- 1.18  53.898% * 42.9837% (0.73   8.36  98.74) =  48.480%  kept
          QB    ALA  120 - HN    GLN  116   6.03 +/- 0.65   2.279% *  0.1029% (0.73   0.02   0.26) =   0.005%
          QG    LYS+  66 - HN    GLN  116  11.06 +/- 1.25   0.068% *  0.0532% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  15.48 +/- 2.02   0.010% *  0.1417% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  16.45 +/- 1.60   0.005% *  0.1389% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  17.63 +/- 1.67   0.004% *  0.0690% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  15.97 +/- 1.60   0.008% *  0.0315% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  19.25 +/- 0.97   0.002% *  0.0802% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  22.09 +/- 1.97   0.001% *  0.0973% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 7.59, residual support = 98.7:
          QD1   LEU  115 - HN    GLN  116   3.86 +/- 0.80  99.976% * 99.6294% (0.49   7.59  98.74) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  16.52 +/- 0.98   0.024% *  0.3706% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.07 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 9.97, residual support = 98.7:
          QD2   LEU  115 - HN    GLN  116   3.06 +/- 0.81  90.239% * 98.5855% (0.57   9.97  98.74) =  99.966%  kept
          QD1   LEU   63 - HN    GLN  116   7.22 +/- 1.44   7.548% *  0.3132% (0.90   0.02   0.02) =   0.027%
          QD2   LEU   63 - HN    GLN  116   8.18 +/- 1.52   2.155% *  0.2917% (0.84   0.02   0.02) =   0.007%
          QD1   LEU  104 - HN    GLN  116  13.88 +/- 1.24   0.027% *  0.1078% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  17.26 +/- 0.84   0.006% *  0.3132% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  14.98 +/- 1.52   0.015% *  0.0539% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  16.74 +/- 0.67   0.007% *  0.0971% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  20.19 +/- 1.15   0.002% *  0.1837% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  19.94 +/- 1.50   0.002% *  0.0539% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.712, support = 1.42, residual support = 13.8:
          QD1   ILE  119 - HN    GLN  116   5.05 +/- 0.64  66.816% * 89.2403% (0.73   1.47  14.35) =  96.122%  kept
          HG3   LYS+ 112 - HN    GLN  116   5.97 +/- 0.83  31.960% *  7.4637% (0.38   0.24   0.02) =   3.845%  kept
          QG2   VAL  108 - HN    GLN  116  10.12 +/- 0.63   1.108% *  1.6773% (1.00   0.02   0.02) =   0.030%
          HB2   LEU  104 - HN    GLN  116  14.69 +/- 0.95   0.116% *  1.6187% (0.97   0.02   0.02) =   0.003%
    Distance limit 4.73 A violated in 0 structures by 0.10 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 2.24:
          HA    LYS+ 112 - HN    LEU  115   3.29 +/- 0.24  99.959% * 94.6610% (0.90   0.75   2.24) =  99.999%  kept
          HB2   HIS  122 - HN    LEU  115  13.86 +/- 0.96   0.022% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  14.85 +/- 1.55   0.020% *  2.5243% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.223, support = 5.18, residual support = 98.7:
          HB2   GLN  116 - HN    LEU  115   4.63 +/- 0.11  99.071% * 95.7711% (0.22   5.18  98.74) =  99.991%  kept
          HB2   PRO   58 - HN    LEU  115  12.25 +/- 1.47   0.411% *  1.3302% (0.80   0.02   0.02) =   0.006%
          HG2   PRO   52 - HN    LEU  115  13.72 +/- 1.98   0.266% *  0.7448% (0.45   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    LEU  115  12.98 +/- 1.02   0.238% *  0.5667% (0.34   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    LEU  115  23.39 +/- 1.42   0.007% *  0.2563% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    LEU  115  23.77 +/- 1.19   0.006% *  0.2563% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU  115  31.45 +/- 0.87   0.001% *  1.0746% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.45 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.797, support = 7.31, residual support = 221.0:
      O   HB2   LEU  115 - HN    LEU  115   2.19 +/- 0.20  84.424% * 82.3626% (0.80  10.0   7.38 227.29) =  97.010%  kept
          QB    GLU- 114 - HN    LEU  115   3.25 +/- 0.40  12.434% * 17.2327% (0.69   1.0   4.88  16.00) =   2.989%  kept
          HB2   LYS+ 111 - HN    LEU  115   4.17 +/- 0.91   3.137% *  0.0159% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    LEU  115  12.28 +/- 1.40   0.003% *  0.0859% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.36 +/- 1.29   0.001% *  0.0423% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  19.94 +/- 2.65   0.000% *  0.0859% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.47 +/- 1.06   0.000% *  0.0786% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  17.69 +/- 1.00   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  21.29 +/- 0.83   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  22.08 +/- 1.19   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  29.75 +/- 0.82   0.000% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 0.952, support = 7.49, residual support = 227.3:
      O   HB3   LEU  115 - HN    LEU  115   2.99 +/- 0.43  68.646% * 77.9643% (0.98  10.0   7.49 227.29) =  88.837%  kept
          HG    LEU  115 - HN    LEU  115   3.81 +/- 0.69  31.086% * 21.6345% (0.73   1.0   7.49 227.29) =  11.163%  kept
          QB    ALA  120 - HN    LEU  115   7.77 +/- 0.49   0.246% *  0.0578% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  12.95 +/- 1.31   0.011% *  0.0299% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  16.86 +/- 2.05   0.003% *  0.0795% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  16.79 +/- 1.32   0.003% *  0.0780% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  18.20 +/- 1.32   0.001% *  0.0387% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  19.17 +/- 0.78   0.001% *  0.0450% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  17.28 +/- 1.50   0.002% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  21.43 +/- 1.90   0.001% *  0.0546% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.525, support = 1.48, residual support = 8.05:
          QG2   VAL  107 - HN    LEU  115   3.35 +/- 0.72  91.960% * 57.1816% (0.53   1.50   8.09) =  98.341%  kept
          HG13  ILE  119 - HN    LEU  115   7.38 +/- 1.29   1.532% * 33.1196% (0.73   0.63   8.14) =   0.949%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.61 +/- 0.87   6.391% *  5.9264% (0.15   0.53   2.24) =   0.708%  kept
          HG2   LYS+ 121 - HN    LEU  115  11.74 +/- 0.85   0.099% *  1.1075% (0.76   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    LEU  115  19.31 +/- 0.93   0.004% *  1.4459% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  15.37 +/- 1.06   0.013% *  0.2236% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  23.51 +/- 0.98   0.001% *  0.9954% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.10 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 8.99, residual support = 227.3:
          QD2   LEU  115 - HN    LEU  115   3.88 +/- 0.39  97.788% * 98.8152% (0.65   8.99 227.29) =  99.997%  kept
          QD1   LEU   63 - HN    LEU  115   7.98 +/- 1.07   2.021% *  0.1048% (0.31   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU  115  13.91 +/- 0.91   0.055% *  0.3046% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  12.78 +/- 1.06   0.102% *  0.1159% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  18.51 +/- 1.05   0.010% *  0.3213% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  19.30 +/- 1.03   0.008% *  0.2333% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  17.02 +/- 0.59   0.016% *  0.1048% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 7.39, residual support = 227.3:
          QD1   LEU  115 - HN    LEU  115   3.81 +/- 0.46  99.973% * 99.6812% (0.80   7.39 227.29) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  15.54 +/- 0.96   0.027% *  0.3188% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.544, support = 6.73, residual support = 138.1:
      O   HB    ILE  103 - HN    ILE  103   2.10 +/- 0.06  88.360% * 65.0365% (0.53  10.0   6.72 138.15) =  93.560%  kept
          HG12  ILE  103 - HN    ILE  103   3.06 +/- 0.31  11.552% * 34.2441% (0.80   1.0   6.92 138.15) =   6.440%  kept
          HB    VAL   41 - HN    ILE  103   8.18 +/- 1.27   0.035% *  0.0800% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   7.99 +/- 0.96   0.037% *  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   2.54) =   0.000%
          QB    LYS+  66 - HN    ILE  103  17.73 +/- 2.54   0.001% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  19.95 +/- 2.33   0.000% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.48 +/- 0.69   0.001% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  20.59 +/- 2.38   0.000% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  20.11 +/- 1.98   0.000% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  25.19 +/- 1.30   0.000% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  19.81 +/- 1.16   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  20.41 +/- 1.68   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  27.50 +/- 1.43   0.000% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 6.21, residual support = 138.1:
          HG13  ILE  103 - HN    ILE  103   4.08 +/- 0.10  99.411% * 98.5408% (0.65   6.21 138.15) =  99.999%  kept
          HG2   LYS+ 121 - HN    ILE  103  13.39 +/- 1.40   0.108% *  0.4732% (0.97   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    ILE  103  13.10 +/- 0.56   0.094% *  0.4860% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  11.07 +/- 1.64   0.346% *  0.0859% (0.18   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  17.08 +/- 2.10   0.034% *  0.0970% (0.20   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  19.97 +/- 0.82   0.007% *  0.3172% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.22 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 6.03, residual support = 138.1:
          QG2   ILE  103 - HN    ILE  103   3.52 +/- 0.09  36.074% * 70.5956% (1.00   6.29 138.15) =  58.824%  kept
          QD1   ILE  103 - HN    ILE  103   3.14 +/- 0.61  62.614% * 28.4658% (0.45   5.66 138.15) =  41.169%  kept
          QD2   LEU   40 - HN    ILE  103   7.21 +/- 0.62   0.688% *  0.2167% (0.97   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    ILE  103  13.42 +/- 3.25   0.598% *  0.2201% (0.98   0.02   0.02) =   0.003%
          QD2   LEU   71 - HN    ILE  103  14.38 +/- 1.25   0.009% *  0.1271% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  15.06 +/- 1.74   0.013% *  0.0624% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  16.78 +/- 1.25   0.003% *  0.0923% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  21.02 +/- 0.98   0.001% *  0.2201% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (1.55, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 7.44, residual support = 217.5:
          HG    LEU  104 - HN    LEU  104   3.25 +/- 0.30  95.708% * 97.6223% (0.45   7.44 217.53) =  99.984%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.10 +/- 0.84   2.836% *  0.4020% (0.69   0.02   0.02) =   0.012%
          HB3   LYS+ 121 - HN    LEU  104   8.63 +/- 1.54   1.435% *  0.2624% (0.45   0.02   0.02) =   0.004%
          HG2   LYS+  33 - HN    LEU  104  16.74 +/- 1.63   0.007% *  0.5800% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LEU  104  16.01 +/- 1.88   0.008% *  0.3313% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  17.89 +/- 0.86   0.004% *  0.3549% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  20.96 +/- 1.09   0.002% *  0.4472% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.267, support = 7.11, residual support = 149.6:
      O   HB2   LEU  104 - HN    LEU  104   2.57 +/- 0.34  45.429% * 65.7830% (0.22  10.0   7.39 217.53) =  62.502%  kept
          QG2   ILE  103 - HN    LEU  104   2.44 +/- 0.47  53.626% * 33.4304% (0.34   1.0   6.63  36.49) =  37.495%  kept
          QD2   LEU   40 - HN    LEU  104   5.01 +/- 0.72   0.920% *  0.1438% (0.49   1.0   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    LEU  104  10.69 +/- 2.95   0.019% *  0.1325% (0.45   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  11.63 +/- 1.55   0.005% *  0.1438% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  15.70 +/- 1.28   0.001% *  0.2929% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  18.84 +/- 0.73   0.000% *  0.0737% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.779, support = 7.36, residual support = 177.5:
          QD2   LEU  104 - HN    LEU  104   3.43 +/- 0.71  69.917% * 64.3152% (0.80   7.90 217.53) =  80.848%  kept
          QD1   LEU   98 - HN    LEU  104   4.15 +/- 0.66  30.053% * 35.4452% (0.69   5.07   8.33) =  19.152%  kept
          QD1   ILE   19 - HN    LEU  104  16.91 +/- 1.38   0.007% *  0.1316% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  14.63 +/- 0.77   0.015% *  0.0453% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  15.94 +/- 0.87   0.009% *  0.0628% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 7.65, residual support = 56.7:
          HB2   PHE   97 - HN    ASP- 105   2.08 +/- 0.29  98.434% * 98.8465% (0.69   7.65  56.69) =  99.998%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.11 +/- 1.14   1.476% *  0.0938% (0.25   0.02  21.98) =   0.001%
          QE    LYS+  99 - HN    ASP- 105   8.04 +/- 0.85   0.061% *  0.3374% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   8.88 +/- 0.97   0.027% *  0.1547% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  15.72 +/- 1.09   0.001% *  0.2434% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  16.48 +/- 0.54   0.001% *  0.2732% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  14.25 +/- 1.22   0.001% *  0.0509% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 5.49, residual support = 56.7:
          HB3   PHE   97 - HN    ASP- 105   3.02 +/- 0.62  99.918% * 98.6871% (0.90   5.49  56.69) = 100.000%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.68 +/- 0.90   0.059% *  0.4012% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  14.55 +/- 0.84   0.014% *  0.3932% (0.98   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  17.53 +/- 0.93   0.005% *  0.1115% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  19.13 +/- 1.25   0.003% *  0.1799% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  21.23 +/- 0.68   0.001% *  0.2271% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 4.75, residual support = 42.6:
      O   HB2   ASP- 105 - HN    ASP- 105   3.74 +/- 0.14  99.428% * 99.3924% (0.80  10.0   4.75  42.61) = 100.000%  kept
          HG12  ILE  119 - HN    ASP- 105  10.13 +/- 1.30   0.349% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP- 105  12.75 +/- 0.79   0.071% *  0.0604% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.62 +/- 0.58   0.072% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  14.01 +/- 0.69   0.040% *  0.0345% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  18.65 +/- 0.99   0.007% *  0.1241% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  17.08 +/- 1.17   0.013% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  20.90 +/- 0.73   0.003% *  0.1217% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  21.53 +/- 0.75   0.003% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  17.58 +/- 1.86   0.011% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.81 +/- 1.67   0.003% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.766, support = 4.61, residual support = 42.4:
      O   HB3   ASP- 105 - HN    ASP- 105   2.79 +/- 0.21  95.560% * 76.8288% (0.76  10.0   4.61  42.61) =  99.007%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.02 +/- 0.25   3.282% * 22.4139% (0.98   1.0   4.55  21.98) =   0.992%  kept
          HB    ILE  103 - HN    ASP- 105   6.02 +/- 0.46   1.139% *  0.0691% (0.69   1.0   0.02   2.54) =   0.001%
          HB3   LYS+  38 - HN    ASP- 105  15.06 +/- 1.02   0.004% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  16.30 +/- 1.29   0.003% *  0.0872% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  16.46 +/- 0.58   0.002% *  0.0872% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP- 105  16.60 +/- 1.96   0.003% *  0.0650% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  15.97 +/- 0.84   0.003% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  19.07 +/- 0.88   0.001% *  0.0928% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.48 +/- 0.96   0.002% *  0.0377% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  20.81 +/- 0.69   0.001% *  0.0970% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  22.97 +/- 1.02   0.000% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  19.79 +/- 0.94   0.001% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.502, support = 5.85, residual support = 35.0:
          HG    LEU  104 - HN    ASP- 105   4.44 +/- 0.26  68.891% * 50.8973% (0.45   6.42  38.83) =  77.266%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.48 +/- 0.43  21.502% * 47.9084% (0.69   3.94  21.98) =  22.700%  kept
          HB3   LYS+ 121 - HN    ASP- 105   6.86 +/- 1.19   9.470% *  0.1586% (0.45   0.02   0.02) =   0.033%
          HB3   LYS+ 111 - HN    ASP- 105  13.98 +/- 1.67   0.085% *  0.2003% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    ASP- 105  17.64 +/- 1.52   0.021% *  0.3506% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  16.88 +/- 0.77   0.024% *  0.2145% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  20.89 +/- 0.71   0.007% *  0.2703% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.239, support = 5.79, residual support = 33.8:
          HB2   LEU  104 - HN    ASP- 105   2.47 +/- 0.50  75.395% * 64.3243% (0.22   6.38  38.83) =  86.123%  kept
          QG2   ILE  103 - HN    ASP- 105   3.24 +/- 0.40  23.477% * 33.2643% (0.34   2.15   2.54) =  13.868%  kept
          QD2   LEU   40 - HN    ASP- 105   5.30 +/- 0.67   1.041% *  0.4409% (0.49   0.02   0.02) =   0.008%
          QD1   LEU   67 - HN    ASP- 105   9.92 +/- 3.02   0.061% *  0.4061% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    ASP- 105   9.96 +/- 1.47   0.024% *  0.4409% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  15.44 +/- 0.82   0.001% *  0.8977% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  17.97 +/- 0.81   0.000% *  0.2259% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 3.85, residual support = 22.0:
          HB2   ASP- 105 - HN    LYS+ 106   2.84 +/- 0.30  99.707% * 97.8353% (0.98   3.85  21.98) =  99.999%  kept
          HB2   MET   96 - HN    LYS+ 106   8.46 +/- 0.35   0.171% *  0.1602% (0.31   0.02   2.14) =   0.000%
          HG12  ILE  119 - HN    LYS+ 106   9.30 +/- 1.05   0.106% *  0.2134% (0.41   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  15.39 +/- 1.18   0.006% *  0.4654% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  17.00 +/- 0.79   0.003% *  0.3966% (0.76   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  15.27 +/- 1.52   0.007% *  0.0801% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  21.08 +/- 0.73   0.001% *  0.4335% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  23.40 +/- 0.66   0.000% *  0.4156% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.967, support = 5.3, residual support = 129.4:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.28 +/- 0.11  70.045% * 86.4180% (0.98  10.0   5.40 136.15) =  94.072%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.83 +/- 0.28  29.527% * 12.9178% (0.76   1.0   3.83  21.98) =   5.928%  kept
          HB    ILE  103 - HN    LYS+ 106   7.91 +/- 0.41   0.386% *  0.0606% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+ 106  14.05 +/- 1.42   0.013% *  0.0765% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.34 +/- 1.24   0.012% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  16.79 +/- 1.15   0.004% *  0.0814% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  19.18 +/- 2.24   0.003% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  19.51 +/- 0.54   0.002% *  0.0765% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  20.04 +/- 0.81   0.001% *  0.0851% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  19.37 +/- 1.00   0.002% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.49 +/- 0.74   0.002% *  0.0464% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  20.90 +/- 0.87   0.001% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  18.85 +/- 1.02   0.002% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 2.57, residual support = 2.8:
          QG2   THR  118 - HN    LYS+ 106   4.38 +/- 1.13 100.000% *100.0000% (0.53   2.57   2.80) = 100.000%  kept
    Distance limit 4.55 A violated in 5 structures by 0.44 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 45.8:
          HB2   PHE   95 - HN    VAL  107   2.36 +/- 0.40 100.000% *100.0000% (1.00   2.31  45.83) = 100.000%  kept
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 60.2:
      O   HB    VAL  107 - HN    VAL  107   2.34 +/- 0.14  99.971% * 99.7350% (0.99  10.0   3.33  60.18) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107  10.10 +/- 0.89   0.020% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  11.70 +/- 1.11   0.008% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  18.35 +/- 0.79   0.000% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  20.31 +/- 0.94   0.000% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.20 +/- 0.71   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.14, residual support = 26.8:
          QB    LYS+ 106 - HN    VAL  107   3.14 +/- 0.15  97.645% * 95.3483% (0.53   5.14  26.80) =  99.995%  kept
          HB3   ASP- 105 - HN    VAL  107   6.09 +/- 0.35   2.039% *  0.1757% (0.25   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    VAL  107  10.68 +/- 1.80   0.098% *  0.6505% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  10.98 +/- 1.15   0.075% *  0.6320% (0.90   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    VAL  107  10.12 +/- 0.70   0.101% *  0.1394% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  13.95 +/- 1.19   0.014% *  0.2897% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  15.82 +/- 1.27   0.007% *  0.5117% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  16.96 +/- 0.68   0.004% *  0.6907% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  17.48 +/- 0.71   0.003% *  0.3430% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  20.61 +/- 0.84   0.001% *  0.6984% (0.99   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  17.05 +/- 0.97   0.004% *  0.1569% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  18.84 +/- 0.54   0.002% *  0.2404% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  18.89 +/- 2.30   0.003% *  0.1234% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 4.13, residual support = 60.2:
          QG1   VAL  107 - HN    VAL  107   3.07 +/- 0.35  99.621% * 91.2028% (0.20   4.13  60.18) =  99.992%  kept
          HG13  ILE  119 - HN    VAL  107   8.71 +/- 1.33   0.279% *  2.2141% (0.99   0.02   0.11) =   0.007%
          HG2   LYS+ 121 - HN    VAL  107  11.02 +/- 0.63   0.064% *  0.5570% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  107  13.16 +/- 1.11   0.020% *  1.3549% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  16.40 +/- 0.84   0.006% *  2.2289% (1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  16.42 +/- 0.60   0.005% *  1.3549% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  16.48 +/- 1.26   0.005% *  1.0873% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.67, residual support = 65.0:
      O   HB    VAL  108 - HN    VAL  108   2.95 +/- 0.47  99.431% * 99.4150% (0.95  10.0   4.67  65.00) =  99.999%  kept
          HB2   PRO   93 - HN    VAL  108   7.78 +/- 1.55   0.490% *  0.0994% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    VAL  108  12.08 +/- 1.17   0.043% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  17.15 +/- 1.28   0.005% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  14.14 +/- 2.06   0.016% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  15.57 +/- 1.93   0.010% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  20.66 +/- 0.74   0.001% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.75 +/- 0.56   0.001% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  22.46 +/- 1.34   0.001% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  23.17 +/- 1.44   0.001% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  28.87 +/- 1.75   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  37.84 +/- 1.98   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.64, residual support = 19.5:
          QG2   VAL  107 - HN    VAL  108   3.30 +/- 0.12  99.828% * 92.9875% (0.28   3.64  19.45) =  99.998%  kept
          HG13  ILE  119 - HN    VAL  108  11.15 +/- 1.28   0.082% *  1.7394% (0.95   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    VAL  108  12.17 +/- 1.15   0.050% *  0.6272% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    VAL  108  12.95 +/- 0.83   0.032% *  0.8950% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  108  18.97 +/- 0.77   0.003% *  1.5950% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  19.85 +/- 0.90   0.002% *  1.6974% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  18.34 +/- 1.39   0.004% *  0.4585% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.66, residual support = 19.4:
          QG1   VAL  107 - HN    VAL  108   3.96 +/- 0.17  99.648% * 95.7591% (0.25   4.66  19.45) =  99.996%  kept
          HG3   LYS+ 112 - HN    VAL  108  11.00 +/- 0.82   0.257% *  1.0002% (0.61   0.02   0.02) =   0.003%
          HG    LEU   63 - HN    VAL  108  13.71 +/- 1.52   0.080% *  1.5915% (0.97   0.02   0.02) =   0.001%
          QG2   VAL   24 - HN    VAL  108  17.62 +/- 0.93   0.014% *  1.6491% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.56 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 26.9:
      O   HA    VAL   75 - HN    ASP-  76   2.21 +/- 0.03  99.998% * 99.6957% (0.69  10.0   4.64  26.92) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  14.23 +/- 0.66   0.001% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  16.47 +/- 1.23   0.001% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  22.05 +/- 1.24   0.000% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.7, residual support = 36.0:
      O   HB2   ASP-  76 - HN    ASP-  76   2.34 +/- 0.28  99.639% * 99.7699% (1.00  10.0   3.70  36.04) = 100.000%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.30 +/- 0.45   0.356% *  0.0724% (0.73   1.0   0.02   3.24) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  13.39 +/- 0.55   0.004% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.02 +/- 1.26   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  23.22 +/- 0.65   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.40 +/- 0.78   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 3.73, residual support = 36.0:
      O   HB3   ASP-  76 - HN    ASP-  76   3.08 +/- 0.44  99.464% * 97.9021% (0.28  10.0   3.73  36.04) =  99.999%  kept
          QG    GLN   90 - HN    ASP-  76   9.97 +/- 1.86   0.201% *  0.2278% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP-  76   8.58 +/- 0.43   0.264% *  0.1579% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  13.73 +/- 0.76   0.017% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP-  76  12.59 +/- 0.62   0.027% *  0.1994% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP-  76  15.19 +/- 1.83   0.013% *  0.3054% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  17.59 +/- 1.67   0.005% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  18.52 +/- 0.73   0.003% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  16.79 +/- 1.24   0.005% *  0.1201% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  20.06 +/- 0.64   0.002% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  23.32 +/- 1.08   0.001% *  0.0784% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.9:
          QG1   VAL   75 - HN    ASP-  76   2.79 +/- 0.29  99.991% * 99.7156% (0.69   4.97  26.92) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  14.31 +/- 1.54   0.009% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 26.9:
          QG2   VAL   75 - HN    ASP-  76   4.11 +/- 0.33  99.855% * 99.6073% (0.98   4.64  26.92) =  99.999%  kept
          QG2   VAL   42 - HN    ASP-  76  12.59 +/- 0.78   0.145% *  0.3927% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.23:
      O   HA2   GLY  109 - HN    GLY  109   2.55 +/- 0.25  99.971% * 99.3336% (0.43  10.0   2.20   9.23) = 100.000%  kept
          HA    THR  118 - HN    GLY  109  12.28 +/- 0.45   0.010% *  0.1522% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    GLY  109  12.22 +/- 1.05   0.011% *  0.1341% (0.58   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  14.23 +/- 1.20   0.005% *  0.1693% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  15.47 +/- 1.26   0.002% *  0.1620% (0.70   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  15.94 +/- 0.85   0.002% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.695, support = 0.0199, residual support = 0.0199:
          HG3   LYS+ 111 - HN    GLY  109   6.37 +/- 1.38  73.144% * 20.3763% (0.70   0.02   0.02) =  75.672%  kept
          HG12  ILE   89 - HN    GLY  109   8.44 +/- 1.31  21.056% * 21.3024% (0.73   0.02   0.02) =  22.773%  kept
          HD2   LYS+ 112 - HN    GLY  109  10.87 +/- 1.44   5.152% *  4.3683% (0.15   0.02   0.02) =   1.143%  kept
          HG2   LYS+  74 - HN    GLY  109  14.82 +/- 1.15   0.485% * 13.3882% (0.46   0.02   0.02) =   0.329%
          HG    LEU   71 - HN    GLY  109  22.21 +/- 1.59   0.040% * 14.2794% (0.49   0.02   0.02) =   0.029%
          HG3   LYS+  99 - HN    GLY  109  21.93 +/- 0.57   0.041% * 12.4970% (0.43   0.02   0.02) =   0.026%
          HB3   LEU   71 - HN    GLY  109  21.37 +/- 1.66   0.052% *  5.5041% (0.19   0.02   0.02) =   0.014%
          HG13  ILE   19 - HN    GLY  109  22.99 +/- 1.13   0.032% *  8.2844% (0.28   0.02   0.02) =   0.014%
    Distance limit 4.49 A violated in 16 structures by 1.31 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 = 7.59:
          QG1   VAL  108 - HN    GLY  109   2.58 +/- 0.27  99.992% * 98.9381% (0.65   3.09   7.59) = 100.000%  kept
          QD1   LEU   40 - HN    GLY  109  14.74 +/- 0.87   0.004% *  0.5069% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    GLY  109  15.38 +/- 1.26   0.003% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  17.85 +/- 1.57   0.001% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.92 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   3.01 +/- 0.32  99.922% * 99.3336% (0.57  10.0   2.20   6.39) = 100.000%  kept
          HA    THR  118 - HN    ALA  110  12.25 +/- 1.05   0.031% *  0.1522% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  13.90 +/- 1.83   0.018% *  0.1693% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  13.84 +/- 1.21   0.015% *  0.1341% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  15.33 +/- 1.77   0.010% *  0.1620% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  16.78 +/- 1.66   0.005% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.222, support = 0.746, residual support = 5.31:
          HG2   PRO   93 - HN    ALA  110   4.14 +/- 1.64  92.252% * 54.6666% (0.22   0.75   5.33) =  99.518%  kept
          HB3   PRO   52 - HN    ALA  110   8.86 +/- 1.93   2.367% *  6.4182% (0.98   0.02   0.02) =   0.300%
          QB    LYS+ 106 - HN    ALA  110   8.71 +/- 0.82   3.453% *  1.2958% (0.20   0.02   0.02) =   0.088%
          HB3   GLN   90 - HN    ALA  110  11.87 +/- 1.89   1.118% *  1.8205% (0.28   0.02   0.02) =   0.040%
          HB3   ASP- 105 - HN    ALA  110  13.35 +/- 1.20   0.276% *  2.9356% (0.45   0.02   0.02) =   0.016%
          HG2   ARG+  54 - HN    ALA  110  13.38 +/- 2.18   0.148% *  3.1872% (0.49   0.02   0.02) =   0.009%
          HG12  ILE  103 - HN    ALA  110  16.59 +/- 1.21   0.089% *  5.2431% (0.80   0.02   0.02) =   0.009%
          HB    ILE  103 - HN    ALA  110  16.82 +/- 1.07   0.099% *  3.4450% (0.53   0.02   0.02) =   0.007%
          HG    LEU  123 - HN    ALA  110  18.63 +/- 1.73   0.037% *  6.4182% (0.98   0.02   0.02) =   0.005%
          QB    LYS+  66 - HN    ALA  110  17.12 +/- 1.85   0.054% *  2.9356% (0.45   0.02   0.02) =   0.003%
          HB    VAL   41 - HN    ALA  110  19.03 +/- 1.34   0.029% *  4.2358% (0.65   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA  110  17.27 +/- 1.26   0.065% *  1.4578% (0.22   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ALA  110  24.59 +/- 3.30   0.006% *  3.7071% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA  110  24.47 +/- 1.41   0.006% *  2.2335% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 4 structures by 0.60 A, kept.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.59:
      O   QB    ALA  110 - HN    ALA  110   2.63 +/- 0.22  99.433% * 98.9553% (0.69  10.0   2.12   9.59) = 100.000%  kept
          HB3   LEU  115 - HN    ALA  110   7.08 +/- 1.34   0.553% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  14.23 +/- 2.44   0.007% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  17.52 +/- 1.87   0.002% *  0.1428% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  19.11 +/- 1.72   0.001% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  19.18 +/- 1.28   0.001% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  20.83 +/- 2.10   0.001% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.16 +/- 1.87   0.001% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.19 +/- 1.67   0.000% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  18.65 +/- 2.24   0.001% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.64 +/- 2.23   0.001% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  23.54 +/- 2.29   0.000% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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   3.39 +/- 0.46  75.043% * 99.3619% (1.00  10.0   7.06 315.43) =  99.982%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.33 +/- 0.59  24.871% *  0.0524% (0.53   1.0   0.02   2.41) =   0.017%
          HB    ILE  119 - HN    LYS+ 111  11.44 +/- 1.33   0.079% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  22.98 +/- 1.65   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  23.89 +/- 2.02   0.001% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  23.99 +/- 1.38   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  22.44 +/- 1.56   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  23.24 +/- 2.75   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  25.15 +/- 1.72   0.001% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  29.00 +/- 1.50   0.000% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  23.60 +/- 1.51   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.05 +/- 1.04   0.000% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.06 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 315.4:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.55 +/- 0.41  99.973% * 99.4649% (0.92  10.0   5.50 315.43) = 100.000%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  13.94 +/- 0.83   0.007% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  12.81 +/- 1.46   0.014% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  15.51 +/- 1.74   0.003% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  17.11 +/- 2.19   0.002% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.34 +/- 0.84   0.001% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  20.02 +/- 1.59   0.001% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  20.95 +/- 1.15   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  27.25 +/- 1.94   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.919, support = 6.54, residual support = 313.7:
          HG3   LYS+ 111 - HN    LYS+ 111   3.14 +/- 0.57  95.827% * 87.0308% (0.92   6.55 315.43) =  99.412%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.15 +/- 1.31   4.110% * 11.9880% (0.20   4.21  27.98) =   0.587%  kept
          HG12  ILE   89 - HN    LYS+ 111  12.58 +/- 1.39   0.050% *  0.2778% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  16.35 +/- 1.65   0.009% *  0.1746% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  23.25 +/- 2.20   0.001% *  0.1862% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  22.51 +/- 0.97   0.001% *  0.1629% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  22.24 +/- 2.17   0.001% *  0.0718% (0.25   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  23.95 +/- 1.59   0.001% *  0.1080% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.10 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.1, residual support = 2.1:
          QD1   ILE   56 - HN    LYS+ 111   6.14 +/- 2.37  94.636% * 97.4076% (0.76   2.10   2.10) =  99.952%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  14.35 +/- 0.82   2.613% *  1.1724% (0.97   0.02   0.02) =   0.033%
          QD2   LEU   73 - HN    LYS+ 111  16.64 +/- 1.35   1.140% *  0.5913% (0.49   0.02   0.02) =   0.007%
          QD2   LEU  123 - HN    LYS+ 111  15.04 +/- 0.97   1.480% *  0.4144% (0.34   0.02   0.02) =   0.007%
          HG    LEU   31 - HN    LYS+ 111  22.74 +/- 1.36   0.131% *  0.4144% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 11 structures by 2.40 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.75, residual support = 232.0:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.80 +/- 0.05  99.993% * 99.8622% (0.87  10.0   5.75 232.04) = 100.000%  kept
          HB    THR   46 - HN    LYS+ 112  15.31 +/- 1.41   0.005% *  0.0393% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  17.84 +/- 1.11   0.002% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  25.24 +/- 1.50   0.000% *  0.0287% (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 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.06, residual support = 28.0:
          HB2   LYS+ 111 - HN    LYS+ 112   3.77 +/- 0.41  88.656% * 97.8513% (0.87   7.06  27.98) =  99.988%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.62 +/- 0.56  10.897% *  0.0888% (0.28   0.02   0.95) =   0.011%
          HB    ILE  119 - HN    LYS+ 112  10.98 +/- 1.10   0.216% *  0.1555% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+ 112  11.46 +/- 0.57   0.143% *  0.0888% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  12.97 +/- 1.21   0.076% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  23.96 +/- 2.39   0.002% *  0.3195% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  23.35 +/- 1.64   0.002% *  0.2559% (0.80   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  24.75 +/- 1.61   0.001% *  0.2559% (0.80   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  27.45 +/- 1.60   0.001% *  0.2559% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  26.01 +/- 1.21   0.001% *  0.1555% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  23.39 +/- 3.03   0.003% *  0.0560% (0.18   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  23.95 +/- 1.47   0.002% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.62 +/- 0.98   0.001% *  0.1809% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  31.83 +/- 0.99   0.000% *  0.1938% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.04 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.71, residual support = 232.0:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.54 +/- 0.51  99.785% * 98.9690% (0.76  10.0   5.71 232.04) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112   8.34 +/- 1.10   0.201% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  14.71 +/- 1.88   0.007% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  15.42 +/- 0.64   0.003% *  0.0838% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  19.69 +/- 2.25   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  19.48 +/- 1.47   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.72 +/- 0.66   0.001% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  21.65 +/- 1.34   0.000% *  0.1123% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  20.20 +/- 1.39   0.001% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.37 +/- 1.71   0.000% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  23.81 +/- 1.83   0.000% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  30.07 +/- 1.27   0.000% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  30.31 +/- 1.68   0.000% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.863, support = 5.76, residual support = 232.0:
      O   HB3   LYS+ 112 - HN    LYS+ 112   3.13 +/- 0.60  65.796% * 84.2415% (0.90  10.0   5.67 232.04) =  91.831%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   3.94 +/- 1.09  31.678% * 15.5628% (0.49   1.0   6.81 232.04) =   8.168%  kept
          QG2   VAL  107 - HN    LYS+ 112   5.88 +/- 0.69   2.481% *  0.0186% (0.20   1.0   0.02   0.02) =   0.001%
          QG2   THR   94 - HN    LYS+ 112  11.20 +/- 0.76   0.042% *  0.0815% (0.87   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  18.98 +/- 0.94   0.002% *  0.0570% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  24.06 +/- 2.21   0.001% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 6.22, residual support = 232.0:
          HG2   LYS+ 112 - HN    LYS+ 112   3.73 +/- 0.44  99.814% * 98.1715% (0.34   6.22 232.04) =  99.999%  kept
          QB    ALA   47 - HN    LYS+ 112  12.60 +/- 1.13   0.110% *  0.7416% (0.80   0.02   0.02) =   0.001%
          QG1   VAL   42 - HN    LYS+ 112  14.44 +/- 1.21   0.043% *  0.6362% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  15.27 +/- 1.35   0.033% *  0.4508% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 8.53:
          QD1   ILE   56 - HN    LYS+ 112   5.68 +/- 2.36  96.794% * 96.8832% (0.76   1.74   8.53) =  99.971%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.67 +/- 0.79   1.118% *  1.4095% (0.97   0.02   0.02) =   0.017%
          QD2   LEU  123 - HN    LYS+ 112  14.07 +/- 1.07   1.489% *  0.4982% (0.34   0.02   0.02) =   0.008%
          QD2   LEU   73 - HN    LYS+ 112  18.34 +/- 1.30   0.542% *  0.7109% (0.49   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    LYS+ 112  25.69 +/- 1.06   0.056% *  0.4982% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 10 structures by 1.98 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.95, residual support = 232.0:
          HG3   LYS+ 112 - HN    LYS+ 112   3.13 +/- 0.56  99.833% * 99.2185% (0.87   5.95 232.04) = 100.000%  kept
          HG    LEU   63 - HN    LYS+ 112  14.05 +/- 1.86   0.025% *  0.3771% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  108 - HN    LYS+ 112   9.89 +/- 0.72   0.141% *  0.0594% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  23.09 +/- 1.03   0.001% *  0.3450% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.11 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.17, residual support = 15.6:
      O   HA    LYS+ 112 - HN    ASP- 113   3.55 +/- 0.03  99.979% * 99.8622% (0.74  10.0   5.17  15.59) = 100.000%  kept
          HB2   HIS  122 - HN    ASP- 113  16.86 +/- 0.85   0.009% *  0.0698% (0.52   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    ASP- 113  17.10 +/- 1.49   0.011% *  0.0393% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  26.88 +/- 1.50   0.001% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 3.42, residual support = 14.2:
      O   QB    ASP- 113 - HN    ASP- 113   2.12 +/- 0.10 100.000% *100.0000% (0.82  10.0   3.42  14.25) = 100.000%  kept
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 2.76, residual support = 23.3:
          QG    GLU- 114 - HN    ASP- 113   4.53 +/- 0.31  99.260% * 93.3280% (0.26   2.76  23.30) =  99.992%  kept
          HG2   PRO   52 - HN    ASP- 113  14.26 +/- 1.79   0.181% *  1.6728% (0.65   0.02   0.02) =   0.003%
          HB2   PRO   58 - HN    ASP- 113  13.44 +/- 2.01   0.253% *  1.0655% (0.41   0.02   0.02) =   0.003%
          HG2   MET   92 - HN    ASP- 113  12.72 +/- 1.91   0.301% *  0.5458% (0.21   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ASP- 113  25.96 +/- 1.36   0.003% *  0.8215% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  34.70 +/- 0.92   0.001% *  2.0206% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  34.57 +/- 1.54   0.001% *  0.5458% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.10 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.802, support = 2.82, residual support = 6.81:
          HB2   LYS+ 111 - HN    ASP- 113   3.47 +/- 0.58  81.455% * 60.3011% (0.85   2.76   4.52) =  87.815%  kept
          QB    GLU- 114 - HN    ASP- 113   4.58 +/- 0.34  18.360% * 37.1226% (0.45   3.22  23.30) =  12.185%  kept
          HB    ILE  119 - HN    ASP- 113  10.07 +/- 0.79   0.179% *  0.1092% (0.21   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP- 113  23.48 +/- 2.29   0.001% *  0.3928% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  24.03 +/- 1.27   0.001% *  0.4293% (0.84   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  24.90 +/- 1.37   0.001% *  0.4293% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  22.77 +/- 2.82   0.002% *  0.1644% (0.32   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  24.72 +/- 1.17   0.001% *  0.1964% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  28.14 +/- 1.42   0.000% *  0.2304% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  26.57 +/- 0.97   0.001% *  0.1092% (0.21   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  32.99 +/- 0.91   0.000% *  0.3799% (0.74   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  28.04 +/- 0.82   0.000% *  0.1352% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.71, residual support = 15.6:
          HB2   LYS+ 112 - HN    ASP- 113   3.34 +/- 0.28  99.723% * 96.4798% (0.65   5.71  15.59) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113   9.99 +/- 1.33   0.207% *  0.0682% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  13.22 +/- 2.14   0.044% *  0.1660% (0.32   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  15.01 +/- 0.70   0.014% *  0.2860% (0.55   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  19.63 +/- 1.11   0.003% *  0.4082% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  20.01 +/- 1.74   0.003% *  0.4082% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.56 +/- 0.68   0.003% *  0.3037% (0.59   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  22.51 +/- 1.15   0.001% *  0.3836% (0.74   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  21.53 +/- 1.27   0.002% *  0.1818% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  24.73 +/- 1.83   0.001% *  0.3693% (0.71   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  30.30 +/- 1.07   0.000% *  0.4267% (0.82   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  30.59 +/- 1.55   0.000% *  0.4082% (0.79   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  25.28 +/- 1.85   0.001% *  0.1103% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.09 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.707, support = 4.72, residual support = 15.6:
          HB3   LYS+ 112 - HN    ASP- 113   3.79 +/- 0.37  73.595% * 59.0602% (0.76   4.53  15.59) =  83.667%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.27 +/- 1.04  21.029% * 40.3336% (0.41   5.69  15.59) =  16.327%  kept
          QG2   VAL  107 - HN    ASP- 113   6.17 +/- 0.70   5.286% *  0.0576% (0.17   0.02   0.02) =   0.006%
          QG2   THR   94 - HN    ASP- 113  11.98 +/- 0.79   0.082% *  0.2524% (0.74   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ASP- 113  18.77 +/- 1.08   0.006% *  0.1765% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  24.16 +/- 1.96   0.002% *  0.1196% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.56, residual support = 23.3:
      O   HA    ASP- 113 - HN    GLU- 114   3.63 +/- 0.02  99.626% * 99.6702% (1.00  10.0   3.56  23.30) = 100.000%  kept
          HA    ILE   56 - HN    GLU- 114  10.71 +/- 1.64   0.228% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 114  11.44 +/- 1.10   0.123% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 114  15.97 +/- 0.27   0.014% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  20.99 +/- 0.61   0.003% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  18.93 +/- 1.31   0.005% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.07 +/- 0.86   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 3.56, residual support = 23.3:
          QB    ASP- 113 - HN    GLU- 114   2.47 +/- 0.17  99.996% * 99.8704% (0.97   3.56  23.30) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  14.03 +/- 1.13   0.004% *  0.1296% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 4.44, residual support = 44.2:
          QG    GLU- 114 - HN    GLU- 114   2.61 +/- 0.38  99.982% * 97.7478% (0.84   4.44  44.18) = 100.000%  kept
          HG2   MET   92 - HN    GLU- 114  12.62 +/- 1.82   0.012% *  0.4028% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU- 114  14.75 +/- 1.74   0.005% *  0.5167% (0.98   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  25.28 +/- 1.37   0.000% *  0.4727% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  32.86 +/- 1.27   0.000% *  0.4028% (0.76   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  33.36 +/- 0.94   0.000% *  0.4572% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.842, support = 3.77, residual support = 39.4:
      O   QB    GLU- 114 - HN    GLU- 114   2.28 +/- 0.21  57.229% * 84.8051% (0.84  10.0   3.84  44.18) =  88.554%  kept
          HB2   LYS+ 111 - HN    GLU- 114   2.74 +/- 1.12  42.771% * 14.6671% (0.90   1.0   3.22   2.41) =  11.446%  kept
          HG2   PRO   68 - HN    GLU- 114  21.85 +/- 2.66   0.000% *  0.0697% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  22.68 +/- 2.06   0.000% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  24.10 +/- 1.19   0.000% *  0.0960% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  23.67 +/- 0.85   0.000% *  0.0960% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.80 +/- 1.04   0.000% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  31.71 +/- 0.88   0.000% *  0.1015% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  26.80 +/- 1.33   0.000% *  0.0253% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 1.12, residual support = 2.41:
          HB3   LYS+ 111 - HN    GLU- 114   3.33 +/- 0.52  99.601% * 91.2694% (0.92   1.12   2.41) =  99.995%  kept
          HD2   LYS+ 121 - HN    GLU- 114  10.46 +/- 1.86   0.265% *  0.7227% (0.41   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - HN    GLU- 114  11.72 +/- 0.93   0.099% *  1.7232% (0.98   0.02   0.02) =   0.002%
          QD    LYS+  66 - HN    GLU- 114  15.53 +/- 1.85   0.017% *  1.4077% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    GLU- 114  17.83 +/- 1.02   0.007% *  1.5766% (0.90   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    GLU- 114  17.76 +/- 0.46   0.006% *  1.7232% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLU- 114  19.84 +/- 0.91   0.003% *  0.5997% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    GLU- 114  22.80 +/- 0.55   0.001% *  0.4888% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    GLU- 114  28.19 +/- 1.56   0.000% *  0.4888% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.869, support = 1.33, residual support = 3.66:
          QG1   VAL  107 - HN    GLU- 114   4.89 +/- 0.58  83.385% * 35.7738% (0.84   1.19   4.48) =  76.786%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.95 +/- 0.78  14.329% * 62.8904% (0.98   1.79   0.95) =  23.196%  kept
          HG13  ILE  119 - HN    GLU- 114   9.52 +/- 1.29   2.274% *  0.2953% (0.41   0.02   0.02) =   0.017%
          QG1   VAL   24 - HN    GLU- 114  23.31 +/- 1.41   0.008% *  0.7184% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  25.25 +/- 0.90   0.004% *  0.3221% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.17 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   2.90 +/- 0.39  99.975% * 99.4046% (0.57  10.0   3.86  14.94) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  13.32 +/- 1.66   0.020% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  17.25 +/- 1.71   0.004% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  26.03 +/- 1.37   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  26.27 +/- 1.62   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  30.10 +/- 1.26   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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   2.89 +/- 0.14  99.995% * 99.9154% (0.53  10.0   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  15.96 +/- 1.78   0.005% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.63 +/- 0.69   0.000% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 75.5:
      O   HA    GLU- 100 - HN    GLU- 100   2.29 +/- 0.13  99.994% * 99.4046% (0.57  10.0   6.39  75.53) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  12.32 +/- 1.37   0.005% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  18.45 +/- 1.02   0.000% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.78 +/- 1.20   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  25.29 +/- 1.43   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  30.16 +/- 1.20   0.000% *  0.0924% (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 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 4.3, residual support = 75.5:
          HG3   GLU- 100 - HN    GLU- 100   2.82 +/- 0.66  99.914% * 97.4372% (0.69   4.30  75.53) =  99.999%  kept
          QB    GLN   32 - HN    GLU- 100  11.01 +/- 1.04   0.072% *  0.6469% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU- 100  15.62 +/- 1.38   0.009% *  0.6469% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  19.70 +/- 1.30   0.002% *  0.6243% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  19.96 +/- 1.92   0.003% *  0.1469% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  25.02 +/- 1.27   0.000% *  0.1835% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  25.78 +/- 2.89   0.000% *  0.1306% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  28.94 +/- 1.93   0.000% *  0.1835% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 39.4:
          HB2   LYS+  99 - HN    GLU- 100   4.39 +/- 0.19  99.714% * 99.1241% (0.73   5.60  39.37) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.05 +/- 0.78   0.269% *  0.4070% (0.84   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    GLU- 100  19.50 +/- 1.10   0.014% *  0.0964% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLU- 100  24.67 +/- 0.77   0.003% *  0.3724% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.08 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.896, support = 6.33, residual support = 39.3:
          HG2   LYS+  99 - HN    GLU- 100   3.12 +/- 0.29  98.115% * 94.7818% (0.90   6.34  39.37) =  99.926%  kept
          HG2   LYS+  38 - HN    GLU- 100   6.94 +/- 1.51   1.723% *  3.9810% (0.97   0.25   0.02) =   0.074%
          HB2   LEU   31 - HN    GLU- 100   9.84 +/- 1.31   0.144% *  0.1889% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  17.95 +/- 0.74   0.003% *  0.3156% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  16.63 +/- 1.21   0.006% *  0.1030% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  18.69 +/- 0.78   0.003% *  0.2024% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.83 +/- 0.74   0.005% *  0.0743% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  20.16 +/- 1.08   0.002% *  0.1372% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  24.80 +/- 1.88   0.000% *  0.2158% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 4.78, residual support = 171.8:
      O   HB2   LYS+  99 - HN    LYS+  99   2.88 +/- 0.25  99.875% * 99.7262% (0.99  10.0   4.78 171.80) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  10.29 +/- 0.65   0.061% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  10.65 +/- 0.70   0.050% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  20.57 +/- 1.19   0.001% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  23.27 +/- 0.77   0.000% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.05 +/- 0.76   0.004% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  15.91 +/- 0.96   0.005% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  17.14 +/- 0.42   0.003% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.79, residual support = 17.0:
          QB    LEU   98 - HN    LYS+  99   2.89 +/- 0.23  99.089% * 93.4719% (0.57   3.79  17.04) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+  99  11.97 +/- 2.00   0.044% *  0.7557% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  99  13.49 +/- 2.28   0.015% *  0.3906% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   7.16 +/- 0.59   0.567% *  0.0088% (0.01   0.02   4.22) =   0.000%
          HG12  ILE   19 - HN    GLN   30  10.00 +/- 1.16   0.078% *  0.0513% (0.06   0.02   1.77) =   0.000%
          HG    LEU   80 - HN    GLN   30  10.34 +/- 0.66   0.054% *  0.0458% (0.05   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  99  12.42 +/- 1.13   0.018% *  0.1344% (0.15   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  17.75 +/- 1.70   0.002% *  0.7813% (0.90   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  10.58 +/- 1.10   0.056% *  0.0324% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  11.27 +/- 0.69   0.031% *  0.0552% (0.06   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.40 +/- 1.18   0.002% *  0.7277% (0.84   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  17.54 +/- 0.73   0.002% *  0.5284% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  19.38 +/- 0.92   0.001% *  0.8408% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  19.01 +/- 1.32   0.001% *  0.6976% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.97 +/- 0.99   0.001% *  0.7277% (0.84   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  16.50 +/- 1.91   0.004% *  0.2422% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  12.39 +/- 0.69   0.018% *  0.0478% (0.05   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  22.05 +/- 2.21   0.001% *  0.2689% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  16.06 +/- 2.66   0.009% *  0.0177% (0.02   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  16.48 +/- 0.71   0.003% *  0.0347% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  16.90 +/- 0.73   0.003% *  0.0257% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  21.42 +/- 0.88   0.001% *  0.0478% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  22.99 +/- 2.12   0.001% *  0.0496% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.36 +/- 0.62   0.001% *  0.0159% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.767, support = 3.25, residual support = 17.0:
          QD2   LEU  104 - HN    LYS+  99   3.43 +/- 0.76  71.790% * 46.4957% (0.80   2.96  16.92) =  70.181%  kept
          QD1   LEU   98 - HN    LYS+  99   4.26 +/- 0.59  26.772% * 52.9728% (0.69   3.93  17.04) =  29.819%  kept
          QD1   ILE   19 - HN    GLN   30   8.25 +/- 1.27   1.219% *  0.0167% (0.04   0.02   1.77) =   0.000%
          QD1   ILE   19 - HN    LYS+  99  15.75 +/- 1.48   0.012% *  0.2541% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  10.56 +/- 1.25   0.117% *  0.0177% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  15.02 +/- 0.86   0.014% *  0.0874% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  17.32 +/- 0.71   0.005% *  0.1212% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  12.43 +/- 0.68   0.040% *  0.0057% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  15.09 +/- 0.90   0.011% *  0.0207% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  14.02 +/- 0.64   0.020% *  0.0080% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.854, support = 3.97, residual support = 16.7:
          QD1   LEU  104 - HN    LYS+  99   3.72 +/- 0.81  67.511% * 93.9793% (0.87   4.00  16.92) =  98.386%  kept
          QD1   LEU   73 - HN    GLN   30   4.50 +/- 0.42  29.884% *  3.4731% (0.06   2.25   4.22) =   1.609%  kept
          QD1   LEU   73 - HN    LYS+  99  10.64 +/- 0.99   0.207% *  0.4699% (0.87   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    LYS+  99  11.88 +/- 1.78   0.132% *  0.4699% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN   30   8.02 +/- 0.82   1.039% *  0.0353% (0.07   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    LYS+  99  11.48 +/- 2.20   0.191% *  0.1506% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  14.91 +/- 1.44   0.024% *  0.5405% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30   8.09 +/- 0.57   0.880% *  0.0146% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LYS+  99  15.85 +/- 1.16   0.017% *  0.5369% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  13.57 +/- 0.85   0.041% *  0.2227% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.24 +/- 1.88   0.026% *  0.0309% (0.06   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  14.72 +/- 1.03   0.021% *  0.0309% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  15.58 +/- 1.89   0.021% *  0.0099% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  19.13 +/- 1.50   0.005% *  0.0355% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.08, residual support = 11.0:
          HB3   PHE   97 - HN    LEU   98   3.76 +/- 0.42  99.351% * 97.5747% (0.65   4.08  11.03) =  99.996%  kept
          HB2   GLU- 100 - HN    LEU   98   9.25 +/- 0.49   0.547% *  0.6628% (0.90   0.02   0.02) =   0.004%
          QG    GLN   32 - HN    LEU   98  13.19 +/- 1.09   0.075% *  0.3888% (0.53   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  17.67 +/- 1.18   0.012% *  0.5918% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  18.38 +/- 0.99   0.009% *  0.6173% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  19.48 +/- 1.18   0.007% *  0.1645% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.652, support = 4.94, residual support = 28.5:
          HB    VAL   41 - HN    LEU   98   3.43 +/- 1.37  81.962% * 60.5246% (0.65   5.12  28.75) =  94.538%  kept
          HG12  ILE  103 - HN    LEU   98   5.39 +/- 0.63   9.173% * 28.8641% (0.80   1.97  26.16) =   5.046%  kept
          HB3   ASP- 105 - HN    LEU   98   7.17 +/- 0.76   2.393% *  8.6920% (0.45   1.06   5.12) =   0.396%
          HB    ILE  103 - HN    LEU   98   7.07 +/- 0.69   4.494% *  0.1923% (0.53   0.02  26.16) =   0.016%
          QB    LYS+ 106 - HN    LEU   98   7.16 +/- 0.56   1.787% *  0.0723% (0.20   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   98  11.85 +/- 0.87   0.070% *  0.1247% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LEU   98  12.89 +/- 1.36   0.049% *  0.1639% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   98  15.27 +/- 1.54   0.035% *  0.2070% (0.57   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   98  16.05 +/- 1.88   0.017% *  0.3583% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  17.03 +/- 0.62   0.007% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  22.30 +/- 0.93   0.001% *  0.3583% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  19.06 +/- 0.88   0.004% *  0.1016% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  19.03 +/- 0.88   0.005% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  23.17 +/- 1.58   0.002% *  0.1779% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 2 structures by 0.19 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.15, residual support = 82.0:
      O   QB    LEU   98 - HN    LEU   98   2.86 +/- 0.18  98.241% * 99.2383% (0.84  10.0   5.15  81.96) = 100.000%  kept
          HB    VAL   42 - HN    LEU   98   5.98 +/- 0.84   1.609% *  0.0208% (0.18   1.0   0.02   0.63) =   0.000%
          HD3   LYS+ 121 - HN    LEU   98  11.05 +/- 1.67   0.059% *  0.1185% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  11.20 +/- 1.92   0.041% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  14.94 +/- 0.84   0.006% *  0.1178% (0.99   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  14.68 +/- 1.67   0.008% *  0.0769% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  12.82 +/- 1.15   0.015% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  16.28 +/- 1.03   0.003% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.26 +/- 0.57   0.007% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.72 +/- 1.12   0.004% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  15.95 +/- 1.59   0.004% *  0.0625% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  20.63 +/- 1.93   0.001% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.50 +/- 1.01   0.002% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.961, support = 4.52, residual support = 9.77:
          QD2   LEU   40 - HN    LEU   98   3.23 +/- 0.54  88.679% * 94.5368% (0.97   4.54   9.81) =  99.592%  kept
          QG2   ILE  103 - HN    LEU   98   5.51 +/- 0.68   8.051% *  4.2074% (0.87   0.22  26.16) =   0.402%
          QD1   LEU   67 - HN    LEU   98   8.78 +/- 2.18   0.625% *  0.4079% (0.95   0.02   0.02) =   0.003%
          QD1   ILE  103 - HN    LEU   98   5.99 +/- 0.52   2.426% *  0.0853% (0.20   0.02  26.16) =   0.002%
          QD2   LEU   71 - HN    LEU   98   9.55 +/- 1.04   0.178% *  0.1199% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU   98  12.59 +/- 1.12   0.032% *  0.3131% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  15.56 +/- 0.83   0.008% *  0.3296% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.03 A, kept.
 
    Peak 711 (0.73, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.359, support = 4.33, residual support = 70.2:
          QD1   LEU   98 - HN    LEU   98   3.54 +/- 0.79  46.092% * 61.6957% (0.38   4.87  81.96) =  80.751%  kept
          QG1   VAL   41 - HN    LEU   98   4.08 +/- 1.16  32.956% * 14.1726% (0.15   2.72  28.75) =  13.263%  kept
          QG1   VAL   43 - HN    LEU   98   4.47 +/- 0.69  14.589% *  8.1196% (0.28   0.86   0.02) =   3.364%  kept
          QD2   LEU  104 - HN    LEU   98   5.57 +/- 1.01   6.301% * 14.6497% (0.99   0.44   8.33) =   2.621%  kept
          QD1   ILE   19 - HN    LEU   98  13.24 +/- 1.39   0.018% *  0.6237% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU   98  11.75 +/- 0.80   0.032% *  0.3289% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   98  13.84 +/- 0.76   0.012% *  0.4098% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.194, support = 4.56, residual support = 64.5:
          QD2   LEU   98 - HN    LEU   98   2.83 +/- 0.86  73.225% * 30.8080% (0.15   4.68  81.96) =  68.352%  kept
          QG2   VAL   41 - HN    LEU   98   4.25 +/- 1.03  17.235% * 55.1705% (0.28   4.65  28.75) =  28.810%  kept
          QD1   LEU  104 - HN    LEU   98   5.01 +/- 1.06   8.686% * 10.7138% (0.31   0.81   8.33) =   2.820%  kept
          QD1   LEU   73 - HN    LEU   98   8.03 +/- 1.10   0.280% *  0.7654% (0.90   0.02   0.02) =   0.006%
          QD1   LEU   63 - HN    LEU   98   8.86 +/- 1.91   0.261% *  0.7654% (0.90   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    LEU   98   8.84 +/- 2.21   0.272% *  0.7129% (0.84   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    LEU   98  12.10 +/- 1.58   0.017% *  0.4832% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   98  13.31 +/- 1.28   0.010% *  0.4490% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  13.80 +/- 1.73   0.014% *  0.1317% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 4.85, residual support = 62.7:
      O   HB2   PHE   97 - HN    PHE   97   2.57 +/- 0.32  96.617% * 99.6886% (0.95  10.0   4.85  62.70) =  99.998%  kept
          QE    LYS+ 106 - HN    PHE   97   5.46 +/- 0.76   3.202% *  0.0554% (0.53   1.0   0.02  10.18) =   0.002%
          QE    LYS+  99 - HN    PHE   97   9.32 +/- 0.80   0.084% *  0.0639% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.62 +/- 1.23   0.079% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  13.29 +/- 0.59   0.006% *  0.1017% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  12.45 +/- 1.16   0.010% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  16.43 +/- 0.82   0.002% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.62, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.6, residual support = 46.5:
          HG2   MET   96 - HN    PHE   97   3.75 +/- 0.46  99.990% * 99.8228% (0.98   5.60  46.48) = 100.000%  kept
          HB2   PRO   52 - HN    PHE   97  18.63 +/- 2.19   0.010% *  0.1772% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.69 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 = 5.2, residual support = 62.7:
      O   HB3   PHE   97 - HN    PHE   97   3.40 +/- 0.42  98.730% * 99.0693% (0.34  10.0   5.20  62.70) =  99.999%  kept
          HB    VAL  107 - HN    PHE   97   7.31 +/- 0.44   1.193% *  0.0808% (0.28   1.0   0.02   2.39) =   0.001%
          HB2   GLU- 100 - HN    PHE   97  12.65 +/- 0.72   0.046% *  0.1762% (0.61   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  16.08 +/- 0.93   0.011% *  0.2426% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.26 +/- 0.81   0.014% *  0.1414% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  18.15 +/- 0.69   0.005% *  0.2898% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.432, support = 5.59, residual support = 48.4:
          HB2   MET   96 - HN    PHE   97   3.92 +/- 0.27  88.395% * 35.2419% (0.31   6.07  46.48) =  81.639%  kept
          HB2   ASP- 105 - HN    PHE   97   5.82 +/- 0.64  11.066% * 63.3061% (0.98   3.44  56.69) =  18.358%  kept
          HG12  ILE  119 - HN    PHE   97  10.41 +/- 1.42   0.393% *  0.1545% (0.41   0.02   0.75) =   0.002%
          HG2   GLU- 100 - HN    PHE   97  13.35 +/- 0.85   0.063% *  0.2873% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   97  16.50 +/- 1.12   0.020% *  0.3371% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  18.18 +/- 0.64   0.009% *  0.3140% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  18.36 +/- 0.78   0.009% *  0.3010% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  14.32 +/- 1.12   0.045% *  0.0580% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 46.5:
          HB3   MET   96 - HN    PHE   97   4.51 +/- 0.14  99.596% * 91.3873% (0.15   6.07  46.48) =  99.994%  kept
          HB3   GLN   30 - HN    PHE   97  13.47 +/- 0.79   0.157% *  1.4160% (0.73   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    PHE   97  15.18 +/- 0.84   0.074% *  1.6915% (0.87   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  15.01 +/- 1.43   0.085% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  15.77 +/- 0.72   0.058% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  18.84 +/- 0.96   0.020% *  1.9114% (0.98   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   97  22.42 +/- 2.01   0.009% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  31.11 +/- 2.33   0.001% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.28 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.62, support = 1.26, residual support = 1.12:
          QG2   ILE  103 - HN    PHE   97   3.80 +/- 0.69  90.405% * 46.8929% (0.61   1.28   1.15) =  91.369%  kept
          QD2   LEU   40 - HN    PHE   97   5.89 +/- 0.57   7.959% * 50.1891% (0.76   1.08   0.84) =   8.609%  kept
          QD1   LEU   67 - HN    PHE   97  10.19 +/- 2.54   0.707% *  0.8799% (0.73   0.02   0.02) =   0.013%
          QD1   ILE  119 - HN    PHE   97   9.89 +/- 1.68   0.744% *  0.3021% (0.25   0.02   0.75) =   0.005%
          HB    VAL   75 - HN    PHE   97  12.06 +/- 0.83   0.145% *  1.1462% (0.95   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HN    PHE   97  15.21 +/- 0.64   0.040% *  0.5898% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 1 structures by 0.13 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 3.99, residual support = 12.0:
          HB3   PHE   95 - HN    MET   96   3.55 +/- 0.15  98.581% * 95.7132% (0.24   4.00  11.99) =  99.984%  kept
          HB3   TRP   87 - HN    MET   96   7.52 +/- 0.73   1.379% *  1.0879% (0.54   0.02   0.02) =   0.016%
          HG3   GLN  116 - HN    MET   96  15.83 +/- 0.76   0.013% *  0.9353% (0.46   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  18.75 +/- 0.76   0.005% *  1.8834% (0.93   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  14.61 +/- 0.64   0.022% *  0.3803% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.07, residual support = 115.6:
      O   HB2   MET   96 - HN    MET   96   2.92 +/- 0.20  99.737% * 99.6054% (0.94  10.0   4.07 115.57) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   8.58 +/- 0.67   0.204% *  0.0448% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  11.86 +/- 0.94   0.028% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  13.97 +/- 0.72   0.009% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  15.44 +/- 0.92   0.006% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  15.91 +/- 0.90   0.005% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.72 +/- 0.98   0.010% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  18.21 +/- 0.65   0.002% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 115.6:
      O   HB3   MET   96 - HN    MET   96   2.45 +/- 0.18  99.973% * 99.5022% (0.57  10.0   3.97 115.57) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  11.79 +/- 0.54   0.010% *  0.1552% (0.89   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  12.33 +/- 1.35   0.008% *  0.0863% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  12.58 +/- 1.63   0.007% *  0.0456% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  17.45 +/- 1.66   0.001% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  20.67 +/- 1.95   0.000% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  30.08 +/- 2.07   0.000% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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   3.31 +/- 0.45  99.544% * 76.2797% (0.19   1.50  16.41) =  99.982%  kept
          HB2   LEU   71 - HN    MET   96  10.57 +/- 0.74   0.133% *  4.4580% (0.82   0.02   0.02) =   0.008%
          HG2   PRO   93 - HN    MET   96  11.01 +/- 0.58   0.105% *  2.5016% (0.46   0.02   0.02) =   0.003%
          QB    LYS+ 102 - HN    MET   96  12.03 +/- 0.73   0.063% *  3.7319% (0.69   0.02   0.14) =   0.003%
          HB2   LYS+  99 - HN    MET   96  11.95 +/- 0.67   0.074% *  1.4289% (0.26   0.02   0.02) =   0.001%
          QB    LYS+  65 - HN    MET   96  14.65 +/- 0.98   0.018% *  4.2927% (0.79   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    MET   96  13.03 +/- 1.59   0.043% *  1.2815% (0.24   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    MET   96  16.88 +/- 0.70   0.008% *  4.7442% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    MET   96  15.96 +/- 0.74   0.012% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.04 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.844, support = 1.52, residual support = 2.13:
          QG2   THR   94 - HN    MET   96   4.59 +/- 0.22  93.966% * 85.7097% (0.85   1.53   2.10) =  99.305%  kept
          HG12  ILE   89 - HN    MET   96   7.70 +/- 0.80   5.321% * 10.4468% (0.21   0.75   5.96) =   0.685%  kept
          HB3   LEU   71 - HN    MET   96  11.60 +/- 1.16   0.500% *  1.1837% (0.89   0.02   0.02) =   0.007%
          HD2   LYS+ 112 - HN    MET   96  16.28 +/- 1.69   0.061% *  1.2265% (0.93   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    MET   96  16.09 +/- 0.97   0.056% *  1.0854% (0.82   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    MET   96  14.82 +/- 1.22   0.096% *  0.3479% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.12 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   3.93 +/- 0.74  96.213% * 96.6032% (0.76   2.96  16.41) =  99.973%  kept
          QG2   THR   46 - HN    MET   96   9.02 +/- 0.77   1.146% *  0.8141% (0.94   0.02   0.02) =   0.010%
          QG1   VAL   41 - HN    MET   96   8.62 +/- 0.45   1.219% *  0.4949% (0.57   0.02   0.02) =   0.006%
          QG2   VAL   18 - HN    MET   96   9.68 +/- 0.93   0.684% *  0.7874% (0.91   0.02   0.02) =   0.006%
          QD2   LEU  104 - HN    MET   96   9.87 +/- 0.78   0.615% *  0.5925% (0.69   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    MET   96  12.98 +/- 1.02   0.124% *  0.7078% (0.82   0.02   0.02) =   0.001%
    Distance limit 4.56 A violated in 0 structures by 0.07 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.803, support = 0.823, residual support = 0.605:
          QD1   LEU   63 - HN    MET   96   7.06 +/- 2.08  21.184% * 41.0663% (0.85   0.87   0.66) =  72.875%  kept
          QD2   LEU   63 - HN    MET   96   8.30 +/- 2.22   7.596% * 28.7199% (0.79   0.65   0.66) =  18.276%  kept
          QD2   LEU  115 - HN    MET   96   8.93 +/- 1.30   3.195% * 27.7730% (0.54   0.93   0.02) =   7.433%  kept
          QD2   LEU   98 - HN    MET   96   5.41 +/- 0.99  49.690% *  0.1625% (0.15   0.02   0.36) =   0.676%  kept
          QD1   LEU   73 - HN    MET   96   7.83 +/- 0.67   5.071% *  0.9443% (0.85   0.02   0.02) =   0.401%
          QG2   VAL   41 - HN    MET   96   7.13 +/- 0.70   9.423% *  0.2927% (0.26   0.02   0.02) =   0.231%
          QD1   LEU  104 - HN    MET   96   9.53 +/- 1.12   2.147% *  0.3250% (0.29   0.02   0.02) =   0.058%
          QD2   LEU   80 - HN    MET   96  10.65 +/- 1.00   0.791% *  0.5539% (0.50   0.02   0.02) =   0.037%
          QD1   LEU   80 - HN    MET   96  10.74 +/- 1.40   0.903% *  0.1625% (0.15   0.02   0.02) =   0.012%
    Distance limit 4.49 A violated in 1 structures by 0.32 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.722, support = 1.5, residual support = 5.95:
          QD1   ILE   89 - HN    MET   96   4.82 +/- 0.71  90.249% * 98.9263% (0.72   1.50   5.96) =  99.938%  kept
          QG2   VAL   83 - HN    MET   96   7.95 +/- 0.52   5.392% *  0.8401% (0.46   0.02   0.02) =   0.051%
          QD2   LEU   31 - HN    MET   96   8.53 +/- 0.76   4.359% *  0.2336% (0.13   0.02   0.02) =   0.011%
    Distance limit 4.36 A violated in 4 structures by 0.50 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.53 +/- 0.19 100.000% *100.0000% (0.87  10.0   3.86  73.50) = 100.000%  kept
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.19, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.63 +/- 0.16  99.936% * 99.8580% (0.98  10.0   4.19  73.50) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  12.71 +/- 0.76   0.062% *  0.0964% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  22.06 +/- 0.84   0.002% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 45.8:
          HB    VAL  107 - HN    PHE   95   3.63 +/- 0.74  96.624% * 98.3881% (0.99   3.24  45.83) =  99.985%  kept
          HB3   PHE   45 - HN    PHE   95   7.51 +/- 0.77   3.190% *  0.4204% (0.69   0.02   1.89) =   0.014%
          QE    LYS+ 112 - HN    PHE   95  11.74 +/- 1.29   0.155% *  0.4204% (0.69   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    PHE   95  16.22 +/- 0.81   0.022% *  0.2297% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  19.95 +/- 0.98   0.006% *  0.4204% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  22.15 +/- 0.64   0.003% *  0.1211% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.08 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.822, support = 4.2, residual support = 16.5:
          QG2   THR   94 - HN    PHE   95   2.78 +/- 0.26  77.127% * 79.3834% (0.87   4.18  14.41) =  93.217%  kept
          QG2   VAL  107 - HN    PHE   95   3.77 +/- 0.66  22.767% * 19.5656% (0.20   4.52  45.83) =   6.782%  kept
          HG13  ILE  103 - HN    PHE   95   9.12 +/- 1.15   0.084% *  0.2655% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  12.87 +/- 0.79   0.008% *  0.3926% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  13.03 +/- 1.70   0.012% *  0.2131% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  15.51 +/- 1.34   0.003% *  0.1800% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 25.1:
      O   HB    THR   94 - HN    THR   94   2.84 +/- 0.17  99.816% * 98.9931% (0.65  10.0   3.08  25.15) = 100.000%  kept
          HD2   PRO   52 - HN    THR   94   9.73 +/- 1.19   0.081% *  0.0522% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  11.41 +/- 0.69   0.026% *  0.1169% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  13.02 +/- 0.68   0.012% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  12.70 +/- 0.65   0.014% *  0.0745% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  12.44 +/- 1.36   0.019% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  11.54 +/- 0.78   0.024% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  16.88 +/- 0.96   0.003% *  0.1448% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  17.84 +/- 1.03   0.002% *  0.1413% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  17.14 +/- 1.35   0.003% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  20.61 +/- 1.01   0.001% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  22.10 +/- 0.59   0.000% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.0:
          HB2   PHE   45 - HN    THR   94   3.39 +/- 0.40  99.894% * 98.8926% (0.95   2.96  27.03) =  99.999%  kept
          QE    LYS+ 111 - HN    THR   94  11.67 +/- 0.78   0.082% *  0.7071% (1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HN    THR   94  14.10 +/- 1.01   0.024% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.536, support = 1.48, residual support = 24.8:
          HB3   PHE   45 - HN    THR   94   4.77 +/- 0.75  74.629% * 72.7338% (0.57   1.50  27.03) =  91.851%  kept
          HB    VAL  107 - HN    THR   94   6.53 +/- 1.13  22.823% * 21.0161% (0.20   1.24   0.02) =   8.117%  kept
          QE    LYS+ 112 - HN    THR   94  11.09 +/- 1.62   0.787% *  0.9698% (0.57   0.02   0.02) =   0.013%
          HG3   MET   96 - HN    THR   94   9.45 +/- 0.57   1.394% *  0.4763% (0.28   0.02   2.10) =   0.011%
          HB3   ASP-  86 - HN    THR   94  13.57 +/- 0.57   0.159% *  1.6978% (0.99   0.02   0.02) =   0.005%
          HB3   ASP-  62 - HN    THR   94  13.39 +/- 1.23   0.197% *  1.1766% (0.69   0.02   0.02) =   0.004%
          HG2   GLU-  29 - HN    THR   94  22.40 +/- 0.63   0.008% *  1.6978% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  25.79 +/- 1.63   0.003% *  0.2318% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.18 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   3.82 +/- 0.18  94.859% * 99.5171% (0.98  10.0   4.39  15.59) =  99.996%  kept
          HB    VAL  108 - HN    THR   94   7.17 +/- 1.28   4.123% *  0.0697% (0.69   1.0   0.02   0.02) =   0.003%
          HG3   PRO   52 - HN    THR   94   9.75 +/- 2.05   0.709% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   94  11.96 +/- 1.17   0.137% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  12.63 +/- 0.83   0.080% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  13.13 +/- 0.75   0.062% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  16.61 +/- 0.72   0.015% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  17.89 +/- 1.37   0.011% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.49 +/- 0.63   0.002% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  24.10 +/- 1.69   0.002% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  33.88 +/- 2.10   0.000% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.897, support = 2.73, residual support = 15.6:
      O   HB3   PRO   93 - HN    THR   94   3.82 +/- 0.29  90.584% * 99.0772% (0.90  10.0   2.73  15.59) =  99.994%  kept
          HB3   ASP-  44 - HN    THR   94   5.92 +/- 0.46   7.770% *  0.0538% (0.49   1.0   0.02   0.02) =   0.005%
          QB    ALA   84 - HN    THR   94   8.55 +/- 0.76   0.776% *  0.0958% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    THR   94  11.06 +/- 0.41   0.175% *  0.0958% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  11.25 +/- 1.44   0.237% *  0.0415% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  12.77 +/- 1.14   0.094% *  0.0844% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    THR   94  12.05 +/- 0.77   0.099% *  0.0715% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  13.15 +/- 0.92   0.063% *  0.0844% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    THR   94  12.49 +/- 0.46   0.080% *  0.0625% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  12.85 +/- 1.41   0.087% *  0.0307% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  17.23 +/- 1.23   0.013% *  0.0625% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  19.83 +/- 1.04   0.006% *  0.0715% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  20.04 +/- 1.03   0.005% *  0.0759% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  18.26 +/- 0.58   0.008% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  21.67 +/- 0.82   0.003% *  0.0538% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  25.02 +/- 1.61   0.001% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.357, support = 3.41, residual support = 24.4:
          QG2   THR   94 - HN    THR   94   3.90 +/- 0.10  92.181% * 65.5647% (0.34   3.51  25.15) =  96.328%  kept
          HG12  ILE   89 - HN    THR   94   6.57 +/- 1.16   7.339% * 31.3454% (0.76   0.75   5.50) =   3.667%  kept
          HG3   LYS+ 111 - HN    THR   94  11.26 +/- 1.06   0.198% *  0.9136% (0.84   0.02   0.02) =   0.003%
          HD2   LYS+ 112 - HN    THR   94  12.48 +/- 2.01   0.148% *  0.7942% (0.73   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - HN    THR   94  12.70 +/- 1.30   0.104% *  0.3376% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    THR   94  16.85 +/- 1.19   0.017% *  0.8758% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  17.52 +/- 1.03   0.012% *  0.1688% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 5.5:
          QG2   ILE   89 - HN    THR   94   4.77 +/- 0.74  99.117% * 99.1801% (0.90   0.75   5.50) =  99.993%  kept
          QG1   VAL   83 - HN    THR   94  10.96 +/- 0.77   0.883% *  0.8199% (0.28   0.02   0.02) =   0.007%
    Distance limit 4.45 A violated in 5 structures by 0.52 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.159, support = 3.64, residual support = 60.2:
          HG3   MET   92 - HN    MET   92   3.78 +/- 0.44  96.649% * 45.6582% (0.14   3.74  62.17) =  96.819%  kept
          QG    GLN   90 - HN    MET   92   7.03 +/- 0.61   3.235% * 44.7564% (0.87   0.57   0.02) =   3.177%  kept
          HB2   ASP-  44 - HN    MET   92  13.22 +/- 0.86   0.083% *  1.7666% (0.98   0.02   0.02) =   0.003%
          HG12  ILE  119 - HN    MET   92  16.35 +/- 1.07   0.020% *  0.9482% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    MET   92  19.12 +/- 0.95   0.007% *  1.6637% (0.92   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   92  24.55 +/- 1.48   0.002% *  1.8023% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  26.45 +/- 1.68   0.001% *  1.7393% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  25.19 +/- 0.77   0.001% *  0.3567% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  35.00 +/- 1.71   0.000% *  1.3087% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.04 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.65, residual support = 62.2:
      O   HB2   MET   92 - HN    MET   92   3.13 +/- 0.51  98.592% * 99.5386% (1.00  10.0   3.65  62.17) = 100.000%  kept
          HB3   GLN   90 - HN    MET   92   6.96 +/- 0.62   1.214% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92  10.77 +/- 1.60   0.111% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  12.16 +/- 0.64   0.036% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  12.27 +/- 1.17   0.040% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  17.18 +/- 1.19   0.005% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  21.73 +/- 0.77   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  30.89 +/- 0.65   0.000% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  24.57 +/- 0.70   0.001% *  0.0135% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  29.35 +/- 1.92   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  39.40 +/- 2.10   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.05 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 4.0, residual support = 62.2:
      O   HB3   MET   92 - HN    MET   92   3.83 +/- 0.31  93.426% * 99.1115% (0.57  10.0   4.00  62.17) =  99.997%  kept
          HG3   PRO   93 - HN    MET   92   6.23 +/- 0.71   5.364% *  0.0346% (0.20   1.0   0.02   1.72) =   0.002%
          QG1   ILE   56 - HN    MET   92   9.98 +/- 1.10   0.470% *  0.1338% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    MET   92   9.09 +/- 0.51   0.592% *  0.0437% (0.25   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    MET   92  13.57 +/- 0.75   0.052% *  0.1570% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  13.14 +/- 1.67   0.082% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  18.28 +/- 1.13   0.010% *  0.1271% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  23.22 +/- 0.62   0.002% *  0.1616% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  24.23 +/- 0.52   0.002% *  0.1132% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  24.41 +/- 1.27   0.002% *  0.0390% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 8.97:
          QB    ALA   91 - HN    MET   92   2.94 +/- 0.27  99.726% * 96.1648% (1.00   3.04   8.97) =  99.999%  kept
          QG2   ILE   56 - HN    MET   92   8.42 +/- 1.53   0.252% *  0.4358% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    MET   92  13.10 +/- 1.20   0.016% *  0.4105% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  22.38 +/- 0.96   0.001% *  0.6331% (1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  17.53 +/- 0.78   0.003% *  0.1256% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  22.60 +/- 0.92   0.001% *  0.5504% (0.87   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  20.69 +/- 0.48   0.001% *  0.3088% (0.49   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  23.80 +/- 1.06   0.000% *  0.3848% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  26.49 +/- 0.69   0.000% *  0.4358% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  31.47 +/- 1.05   0.000% *  0.5504% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 7.8:
          HA    ILE   89 - HN    ALA   91   3.55 +/- 0.37  99.593% * 96.1998% (0.61   2.49   7.80) = 100.000%  kept
          HB    THR  118 - HN    ALA   91  15.79 +/- 1.50   0.017% *  1.2056% (0.95   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    TRP   27   9.96 +/- 1.07   0.287% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   91  13.88 +/- 0.57   0.033% *  0.2232% (0.18   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  14.13 +/- 0.72   0.029% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  15.25 +/- 0.58   0.018% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  16.02 +/- 0.58   0.013% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  24.90 +/- 0.69   0.001% *  0.5714% (0.45   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  18.63 +/- 1.84   0.007% *  0.0647% (0.05   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  28.29 +/- 0.81   0.000% *  0.7730% (0.61   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  22.03 +/- 0.84   0.002% *  0.1490% (0.12   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  29.62 +/- 1.34   0.000% *  0.5240% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.726, support = 4.97, residual support = 32.1:
          HB2   GLN   90 - HN    ALA   91   3.73 +/- 0.46  76.058% * 98.1100% (0.73   4.97  32.06) =  99.992%  kept
          HG3   GLU-  29 - HN    TRP   27   6.27 +/- 0.47   3.649% *  0.0602% (0.11   0.02   0.02) =   0.003%
          HB2   GLU-  25 - HN    TRP   27   4.99 +/- 0.13  14.478% *  0.0133% (0.02   0.02   0.27) =   0.003%
          HB3   GLU-  29 - HN    TRP   27   6.36 +/- 0.59   5.289% *  0.0353% (0.07   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    TRP   27   9.13 +/- 0.90   0.434% *  0.0133% (0.02   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   91  13.88 +/- 0.83   0.032% *  0.1076% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.25 +/- 0.41   0.043% *  0.0168% (0.03   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  23.97 +/- 0.81   0.001% *  0.4876% (0.90   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  24.06 +/- 0.77   0.001% *  0.2861% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  18.03 +/- 1.25   0.007% *  0.0488% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  19.26 +/- 0.28   0.004% *  0.0635% (0.12   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  21.67 +/- 0.78   0.002% *  0.1076% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  30.00 +/- 0.71   0.000% *  0.5143% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  26.45 +/- 0.63   0.001% *  0.1356% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.04 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.986, support = 4.95, residual support = 31.9:
          HB3   GLN   90 - HN    ALA   91   3.27 +/- 0.50  82.720% * 90.8682% (0.99   4.97  32.06) =  99.360%  kept
          HB2   MET   92 - HN    ALA   91   5.29 +/- 1.08   8.638% *  5.5766% (0.15   1.96   8.97) =   0.637%  kept
          HB3   GLN   30 - HN    TRP   27   5.15 +/- 0.56   7.847% *  0.0114% (0.03   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA   91   9.88 +/- 0.92   0.139% *  0.3560% (0.97   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ALA   91  10.55 +/- 1.09   0.114% *  0.3490% (0.95   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    ALA   91  10.15 +/- 1.82   0.216% *  0.0920% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.32 +/- 0.53   0.206% *  0.0456% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  13.47 +/- 1.62   0.023% *  0.2089% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   91  15.00 +/- 1.01   0.011% *  0.3560% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  11.98 +/- 0.53   0.046% *  0.0440% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  17.32 +/- 1.24   0.005% *  0.3616% (0.98   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  17.54 +/- 1.70   0.005% *  0.3490% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  15.96 +/- 0.60   0.008% *  0.0431% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  22.94 +/- 0.61   0.001% *  0.3689% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  17.69 +/- 1.61   0.006% *  0.0452% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  19.83 +/- 0.67   0.002% *  0.0920% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  18.37 +/- 1.30   0.004% *  0.0431% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  28.20 +/- 1.64   0.000% *  0.3406% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  20.38 +/- 1.00   0.002% *  0.0447% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  24.79 +/- 1.62   0.001% *  0.0920% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  19.40 +/- 0.31   0.002% *  0.0187% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  23.24 +/- 2.54   0.001% *  0.0440% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  22.90 +/- 1.22   0.001% *  0.0421% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  29.09 +/- 0.78   0.000% *  0.1517% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  22.19 +/- 1.48   0.001% *  0.0258% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  20.79 +/- 0.77   0.002% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  23.97 +/- 0.98   0.001% *  0.0114% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  26.89 +/- 2.06   0.000% *  0.0114% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.08, residual support = 12.9:
      O   QB    ALA   91 - HN    ALA   91   2.37 +/- 0.13  97.322% * 99.2924% (0.92  10.0   3.08  12.88) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   5.00 +/- 0.83   2.596% *  0.0055% (0.05   1.0   0.02   1.88) =   0.000%
          QG2   ILE   56 - HN    ALA   91  10.60 +/- 1.72   0.018% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.70 +/- 0.27   0.022% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  13.33 +/- 1.25   0.004% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  11.02 +/- 0.85   0.011% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.97 +/- 0.50   0.004% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  16.26 +/- 0.63   0.001% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  11.43 +/- 1.61   0.010% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  11.34 +/- 0.52   0.009% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  19.06 +/- 0.47   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  21.44 +/- 0.86   0.000% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  22.35 +/- 0.78   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  17.68 +/- 2.34   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  17.11 +/- 0.46   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  22.69 +/- 0.93   0.000% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  19.31 +/- 0.54   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  24.69 +/- 0.72   0.000% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  29.45 +/- 1.23   0.000% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  19.71 +/- 0.93   0.000% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.16, residual support = 159.1:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.01  99.990% * 99.2019% (0.18  10.0   5.16 159.14) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  14.77 +/- 2.06   0.010% *  0.2329% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  22.04 +/- 1.51   0.001% *  0.5652% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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   3.34 +/- 0.18  99.889% * 99.3899% (0.61  10.0   3.13  12.52) = 100.000%  kept
          HA    ALA   34 - HN    LYS+ 102  11.35 +/- 1.47   0.077% *  0.0674% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  14.16 +/- 1.74   0.020% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  19.54 +/- 1.72   0.003% *  0.1624% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  19.75 +/- 0.83   0.003% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  18.46 +/- 1.01   0.004% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  21.51 +/- 1.75   0.001% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  19.80 +/- 1.72   0.002% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.96 +/- 1.07   0.001% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.13, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   2.89 +/- 0.61  99.993% * 99.6785% (0.28  10.0   3.13  12.52) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.43 +/- 1.70   0.006% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  22.90 +/- 0.63   0.001% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.786, support = 0.02, residual support = 0.02:
          QB    GLU- 114 - HN    LYS+ 102  17.38 +/- 0.87  19.200% * 12.0512% (0.84   0.02   0.02) =  23.401%  kept
          QB    GLU-  15 - HN    LYS+ 102  18.22 +/- 2.55  15.491% * 13.6482% (0.95   0.02   0.02) =  21.383%  kept
          HB    ILE   19 - HN    LYS+ 102  18.99 +/- 1.97  10.704% * 11.0262% (0.76   0.02   0.02) =  11.936%  kept
          HG2   PRO   68 - HN    LYS+ 102  19.02 +/- 2.48  11.779% *  9.9106% (0.69   0.02   0.02) =  11.806%  kept
          HG3   GLN   30 - HN    LYS+ 102  16.72 +/- 1.70  23.586% *  3.5976% (0.25   0.02   0.02) =   8.582%  kept
          HB3   PRO   68 - HN    LYS+ 102  20.11 +/- 1.84   7.498% *  8.7509% (0.61   0.02   0.02) =   6.636%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.13 +/- 1.85   4.363% * 14.4279% (1.00   0.02   0.02) =   6.367%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  22.72 +/- 1.55   4.128% * 12.9393% (0.90   0.02   0.02) =   5.403%  kept
          HB2   GLN   17 - HN    LYS+ 102  23.18 +/- 1.84   3.251% * 13.6482% (0.95   0.02   0.02) =   4.487%  kept
    Distance limit 4.37 A violated in 20 structures by 8.58 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 = 159.1:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.57 +/- 0.12  99.037% * 99.4444% (0.98  10.0   4.64 159.14) =  99.999%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.29 +/- 0.68   0.557% *  0.0455% (0.45   1.0   0.02  22.38) =   0.000%
          HB    VAL   41 - HN    LYS+ 102   7.48 +/- 1.40   0.391% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  12.63 +/- 2.02   0.012% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  17.45 +/- 2.00   0.001% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.66 +/- 1.67   0.000% *  0.0937% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.55 +/- 0.74   0.000% *  0.0994% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  20.02 +/- 1.99   0.001% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  22.99 +/- 2.05   0.000% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  27.97 +/- 1.09   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 3.82, residual support = 113.4:
          HG2   LYS+ 102 - HN    LYS+ 102   3.78 +/- 0.35  56.516% * 60.4631% (0.28   4.42 159.14) =  70.954%  kept
          QB    LEU   98 - HN    LYS+ 102   4.19 +/- 1.05  43.382% * 32.2432% (0.28   2.36   1.82) =  29.044%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  13.66 +/- 1.79   0.041% *  0.5574% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  15.93 +/- 2.82   0.023% *  0.7525% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  14.63 +/- 1.90   0.017% *  0.3695% (0.38   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  18.65 +/- 2.49   0.008% *  0.5574% (0.57   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  19.93 +/- 1.27   0.003% *  0.9824% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  19.98 +/- 2.28   0.003% *  0.9824% (1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  19.71 +/- 1.29   0.003% *  0.8830% (0.90   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  20.49 +/- 2.09   0.002% *  0.9759% (0.99   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  20.81 +/- 1.59   0.002% *  0.7150% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  21.27 +/- 1.68   0.002% *  0.5180% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.582, support = 1.34, residual support = 0.858:
          QD2   LEU  104 - HN    LYS+ 102   4.17 +/- 0.75  59.530% * 24.4133% (0.95   0.18   0.02) =  52.693%  kept
          QD1   LEU   98 - HN    LYS+ 102   5.19 +/- 0.88  19.537% * 65.7403% (0.18   2.67   1.82) =  46.566%  kept
          QG1   VAL   41 - HN    LYS+ 102   5.76 +/- 1.45  20.357% *  0.9605% (0.34   0.02   0.02) =   0.709%  kept
          QG1   VAL   43 - HN    LYS+ 102   9.17 +/- 0.95   0.544% *  1.4815% (0.53   0.02   0.02) =   0.029%
          QD1   ILE   19 - HN    LYS+ 102  17.56 +/- 2.01   0.015% *  2.8097% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LYS+ 102  17.15 +/- 1.32   0.013% *  2.1520% (0.76   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+ 102  19.22 +/- 1.20   0.006% *  2.4426% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.4, residual support = 40.8:
      O   HA    ILE   89 - HN    GLN   90   2.49 +/- 0.26  99.985% * 99.5753% (0.61  10.0   6.40  40.77) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  12.25 +/- 0.71   0.012% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  15.55 +/- 1.14   0.002% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  23.19 +/- 0.72   0.000% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  26.48 +/- 0.97   0.000% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  28.17 +/- 1.57   0.000% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.69, residual support = 90.0:
          QG    GLN   90 - HN    GLN   90   3.30 +/- 0.68  99.001% * 97.8119% (0.90   5.69  90.02) =  99.998%  kept
          HG3   MET   92 - HN    GLN   90   8.25 +/- 1.07   0.867% *  0.2327% (0.61   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLN   90  11.74 +/- 1.11   0.098% *  0.2786% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  16.86 +/- 0.87   0.010% *  0.3803% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  17.67 +/- 1.13   0.008% *  0.3205% (0.84   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  16.27 +/- 0.80   0.011% *  0.0957% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  21.01 +/- 1.17   0.003% *  0.2786% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  22.82 +/- 1.51   0.002% *  0.2327% (0.61   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  24.93 +/- 2.10   0.001% *  0.2932% (0.76   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  33.18 +/- 2.01   0.000% *  0.0759% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 90.0:
      O   HB3   GLN   90 - HN    GLN   90   3.40 +/- 0.27  96.370% * 99.1031% (0.92  10.0   5.59  90.02) =  99.998%  kept
          HB2   MET   92 - HN    GLN   90   6.66 +/- 1.02   2.838% *  0.0403% (0.38   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   90   8.91 +/- 0.98   0.519% *  0.1036% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   90   9.97 +/- 0.84   0.193% *  0.1052% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  13.68 +/- 1.93   0.036% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  15.35 +/- 1.22   0.015% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  16.50 +/- 1.59   0.009% *  0.0737% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  16.62 +/- 0.90   0.008% *  0.0820% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  17.87 +/- 1.10   0.006% *  0.0565% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  21.21 +/- 0.86   0.002% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  19.57 +/- 1.52   0.003% *  0.0239% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  27.05 +/- 2.02   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  27.47 +/- 0.64   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.08 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.26, residual support = 40.8:
          QG2   ILE   89 - HN    GLN   90   2.06 +/- 0.37 100.000% *100.0000% (0.65   7.26  40.77) = 100.000%  kept
    Distance limit 3.79 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 = 5.85, residual support = 40.8:
          QD1   ILE   89 - HN    GLN   90   4.36 +/- 0.35  90.231% * 99.5433% (0.49   5.85  40.77) =  99.981%  kept
          QG2   VAL   83 - HN    GLN   90   7.15 +/- 0.91   5.834% *  0.1744% (0.25   0.02   0.02) =   0.011%
          QG2   VAL   75 - HN    GLN   90   7.98 +/- 1.27   3.840% *  0.1744% (0.25   0.02   0.02) =   0.007%
          QG2   VAL   42 - HN    GLN   90  13.97 +/- 0.80   0.095% *  0.1079% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.18 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 8.09:
      O   HA    ALA   88 - HN    ILE   89   3.26 +/- 0.20  96.954% * 99.4024% (0.99  10.0   4.13   8.09) =  99.999%  kept
          QB    SER   85 - HN    ILE   89   5.89 +/- 0.42   2.919% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ILE   89  10.54 +/- 0.54   0.085% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  14.76 +/- 1.84   0.017% *  0.0968% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  15.03 +/- 1.60   0.013% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  20.24 +/- 0.53   0.002% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  19.07 +/- 0.63   0.003% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  19.17 +/- 0.64   0.002% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  19.94 +/- 0.92   0.002% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  23.00 +/- 0.39   0.001% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  21.41 +/- 0.61   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  24.55 +/- 0.89   0.001% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  26.03 +/- 0.86   0.000% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 215.7:
      O   HA    ILE   89 - HN    ILE   89   2.71 +/- 0.12  99.995% * 99.5011% (0.34  10.0   6.02 215.68) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  16.19 +/- 0.78   0.002% *  0.2118% (0.73   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  16.63 +/- 1.07   0.002% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  21.58 +/- 0.51   0.000% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  24.62 +/- 0.68   0.000% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  28.08 +/- 1.30   0.000% *  0.0577% (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 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.59, residual support = 215.7:
      O   HB    ILE   89 - HN    ILE   89   2.35 +/- 0.40  99.935% * 99.6919% (0.45  10.0   5.59 215.68) = 100.000%  kept
          HB    VAL   43 - HN    ILE   89   9.39 +/- 0.70   0.041% *  0.1170% (0.53   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ILE   89  10.14 +/- 0.68   0.023% *  0.0997% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  19.13 +/- 1.07   0.001% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 5.79, residual support = 215.7:
          HG12  ILE   89 - HN    ILE   89   2.66 +/- 0.62  99.382% * 97.9254% (0.76   5.79 215.68) =  99.999%  kept
          QB    ALA   91 - HN    ILE   89   6.96 +/- 0.81   0.597% *  0.1366% (0.31   0.02   7.80) =   0.001%
          HG2   LYS+  74 - HN    ILE   89  13.52 +/- 1.11   0.012% *  0.3840% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  16.32 +/- 1.49   0.004% *  0.3041% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  19.80 +/- 0.82   0.001% *  0.3970% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  21.13 +/- 1.04   0.001% *  0.3698% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  20.82 +/- 0.88   0.001% *  0.2864% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  18.96 +/- 0.84   0.002% *  0.1366% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  25.31 +/- 1.06   0.000% *  0.0599% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.06 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.36, residual support = 215.7:
          QG2   ILE   89 - HN    ILE   89   3.57 +/- 0.12  98.053% * 99.7866% (1.00   6.36 215.68) =  99.997%  kept
          QG1   VAL   83 - HN    ILE   89   7.18 +/- 0.80   1.933% *  0.1650% (0.53   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    ILE   89  15.84 +/- 1.11   0.014% *  0.0484% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 215.7:
          HG13  ILE   89 - HN    ILE   89   3.67 +/- 0.73 100.000% *100.0000% (0.90   5.54 215.68) = 100.000%  kept
    Distance limit 3.72 A violated in 0 structures by 0.29 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 +/- 0.02  99.982% * 99.0917% (0.84  10.0   1.63  11.52) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88   9.62 +/- 0.10   0.015% *  0.1303% (0.90   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  16.76 +/- 1.94   0.001% *  0.1425% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  17.42 +/- 1.70   0.001% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  18.87 +/- 0.61   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  19.88 +/- 0.57   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  20.82 +/- 0.55   0.000% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  23.06 +/- 0.45   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  22.15 +/- 0.95   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  22.60 +/- 0.55   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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  94.318% * 99.0810% (0.73  10.0   1.91  11.52) =  99.998%  kept
          QB    ALA   84 - HN    ALA   88   4.75 +/- 0.16   5.235% *  0.0220% (0.15   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   88   7.63 +/- 0.74   0.346% *  0.0487% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   88   9.75 +/- 0.59   0.073% *  0.0980% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  14.35 +/- 0.60   0.007% *  0.0640% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  15.90 +/- 0.51   0.004% *  0.1192% (0.84   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  13.44 +/- 1.86   0.013% *  0.0318% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  18.29 +/- 2.05   0.002% *  0.1280% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  21.43 +/- 1.05   0.001% *  0.1427% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  20.64 +/- 1.19   0.001% *  0.0808% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  25.40 +/- 1.06   0.000% *  0.1399% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  25.97 +/- 1.61   0.000% *  0.0440% (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 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 70.3:
      O   HB2   TRP   87 - HN    TRP   87   3.72 +/- 0.02  99.954% * 99.8429% (0.73  10.0   3.84  70.26) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  14.22 +/- 0.82   0.034% *  0.0469% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  17.76 +/- 1.01   0.009% *  0.0889% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  22.43 +/- 2.22   0.003% *  0.0212% (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 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   2.61 +/- 0.14  99.983% * 97.4605% (0.80   3.91  22.48) = 100.000%  kept
          HB2   ASN   28 - HN    TRP   87  13.73 +/- 0.66   0.005% *  0.6233% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    TRP   87  14.22 +/- 0.46   0.004% *  0.3280% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  13.17 +/- 0.49   0.006% *  0.0962% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  19.06 +/- 0.75   0.001% *  0.6110% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  19.17 +/- 1.07   0.001% *  0.2795% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  23.36 +/- 1.14   0.000% *  0.6016% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 70.3:
      O   HB3   TRP   87 - HN    TRP   87   2.94 +/- 0.07  99.995% * 99.8532% (1.00  10.0   3.71  70.26) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  15.55 +/- 1.07   0.005% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  23.99 +/- 1.17   0.000% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 5.17:
          QB    ALA   88 - HN    TRP   87   4.42 +/- 0.05  94.627% * 96.6846% (0.53   2.24   5.18) =  99.916%  kept
          QG2   THR   77 - HN    TRP   87   7.36 +/- 0.69   5.153% *  1.4701% (0.90   0.02   0.02) =   0.083%
          QG2   THR   23 - HN    TRP   87  13.42 +/- 0.43   0.123% *  0.8624% (0.53   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    TRP   87  14.39 +/- 0.32   0.080% *  0.3649% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  19.87 +/- 1.03   0.012% *  0.2529% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  23.57 +/- 1.05   0.004% *  0.3649% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.806, support = 1.99, residual support = 17.1:
          QD1   ILE   89 - HN    TRP   87   4.24 +/- 0.17  51.081% * 77.6374% (0.76   2.38  17.49) =  79.029%  kept
          QG2   VAL   83 - HN    TRP   87   4.32 +/- 0.55  48.661% * 21.6225% (0.97   0.53  15.47) =  20.967%  kept
          QD2   LEU   31 - HN    TRP   87  10.37 +/- 0.60   0.258% *  0.7401% (0.87   0.02   2.05) =   0.004%
    Distance limit 4.16 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 = 0.485, support = 0.945, residual support = 15.7:
          QG2   VAL   83 - HE1   TRP   87   2.24 +/- 0.67  94.988% * 25.9733% (0.45   0.86  15.47) =  86.927%  kept
          QD1   ILE   89 - HE1   TRP   87   4.61 +/- 0.39   5.012% * 74.0267% (0.73   1.51  17.49) =  13.073%  kept
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.32, residual support = 13.3:
          QB    SER   85 - HN    ASP-  86   2.96 +/- 0.06  95.042% * 83.9915% (0.76   3.33  13.43) =  99.364%  kept
          HA    ALA   88 - HN    ASP-  86   5.04 +/- 0.11   3.935% * 12.9664% (0.69   0.57   0.02) =   0.635%  kept
          HB2   SER   82 - HN    ASP-  86   6.41 +/- 0.18   0.945% *  0.1018% (0.15   0.02   0.02) =   0.001%
          HB    THR   94 - HN    ASP-  86  10.25 +/- 0.48   0.059% *  0.1018% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ASP-  86  14.59 +/- 1.94   0.010% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  16.71 +/- 1.80   0.004% *  0.2957% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  18.73 +/- 1.32   0.002% *  0.5914% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  18.00 +/- 0.63   0.002% *  0.4789% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  26.59 +/- 0.66   0.000% *  0.5508% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  27.17 +/- 0.86   0.000% *  0.5040% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  26.90 +/- 1.21   0.000% *  0.2711% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.37 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 +/- 0.16  99.992% * 95.3192% (0.61   2.25  10.83) = 100.000%  kept
          HB2   CYS   53 - HN    ASP-  86  17.92 +/- 0.95   0.002% *  1.3481% (0.97   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  17.36 +/- 0.64   0.003% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  20.03 +/- 1.25   0.001% *  0.7909% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  19.82 +/- 1.64   0.001% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  23.61 +/- 1.52   0.000% *  0.9596% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.97 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   2.51 +/- 0.24  99.988% * 99.6258% (0.98  10.0   4.99  41.61) = 100.000%  kept
          HB2   ASN   28 - HN    ASP-  86  12.93 +/- 0.63   0.006% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  13.63 +/- 0.42   0.005% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  19.30 +/- 1.03   0.001% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  19.64 +/- 1.07   0.001% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  24.63 +/- 1.15   0.000% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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   2.88 +/- 0.62  99.929% * 99.2823% (0.41  10.0   3.56  41.61) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  10.91 +/- 0.68   0.065% *  0.2394% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  16.96 +/- 0.94   0.004% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  23.94 +/- 1.02   0.001% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  24.79 +/- 0.93   0.000% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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   2.17 +/- 0.05  98.888% * 99.3113% (0.76  10.0   3.15  18.15) =  99.999%  kept
          HA    ALA   88 - HN    SER   85   4.86 +/- 0.20   0.809% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    SER   85   5.74 +/- 0.11   0.287% *  0.0201% (0.15   1.0   0.02   2.96) =   0.000%
          HB    THR   94 - HN    SER   85  10.25 +/- 0.48   0.009% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  12.92 +/- 2.06   0.004% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  15.04 +/- 1.90   0.001% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  17.33 +/- 1.30   0.000% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  19.84 +/- 0.60   0.000% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  27.08 +/- 0.74   0.000% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  27.83 +/- 0.73   0.000% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  27.76 +/- 1.10   0.000% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 20.7:
      O   HA    ALA   84 - HN    SER   85   3.61 +/- 0.02  99.849% * 99.3529% (0.49  10.0   3.27  20.74) = 100.000%  kept
          HA    VAL   75 - HN    SER   85  11.22 +/- 0.72   0.120% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    SER   85  16.61 +/- 1.60   0.013% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  16.56 +/- 1.45   0.013% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  23.27 +/- 1.26   0.001% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  22.39 +/- 0.79   0.002% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  22.71 +/- 1.39   0.002% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.46 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   2.70 +/- 0.08  99.558% * 95.9098% (1.00   3.87  20.74) =  99.999%  kept
          HB3   LEU   80 - HN    SER   85   6.83 +/- 0.47   0.421% *  0.2615% (0.53   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    SER   85  15.49 +/- 1.92   0.004% *  0.4797% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  14.91 +/- 0.49   0.004% *  0.3798% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   85  16.04 +/- 0.70   0.002% *  0.4970% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  14.86 +/- 0.86   0.004% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  16.37 +/- 0.94   0.002% *  0.3015% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  15.87 +/- 0.59   0.003% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  18.44 +/- 0.64   0.001% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  20.95 +/- 2.22   0.001% *  0.2043% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  21.97 +/- 1.17   0.000% *  0.3215% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  21.29 +/- 1.84   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  24.58 +/- 1.30   0.000% *  0.2419% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  22.13 +/- 1.40   0.000% *  0.1239% (0.25   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  27.96 +/- 1.77   0.000% *  0.4457% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  26.87 +/- 1.05   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 4.02, residual support = 18.8:
      O   HA    ALA   84 - HN    ALA   84   2.77 +/- 0.03  99.860% * 99.3529% (0.49  10.0   4.02  18.84) = 100.000%  kept
          HA    VAL   75 - HN    ALA   84   8.54 +/- 0.65   0.133% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA   84  15.54 +/- 1.35   0.004% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  16.70 +/- 1.21   0.002% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  22.01 +/- 1.22   0.000% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  21.63 +/- 0.87   0.000% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.04 +/- 1.27   0.001% *  0.0568% (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 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 43.7:
          HB    VAL   83 - HN    ALA   84   3.33 +/- 0.35  99.894% * 97.8535% (0.99   5.34  43.73) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   84  13.30 +/- 1.31   0.045% *  0.1520% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  16.01 +/- 0.78   0.011% *  0.1945% (0.53   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  18.28 +/- 2.03   0.007% *  0.2685% (0.73   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA   84  13.90 +/- 0.72   0.025% *  0.0647% (0.18   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  16.20 +/- 1.56   0.013% *  0.0647% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  23.09 +/- 0.94   0.001% *  0.3497% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  23.34 +/- 0.83   0.001% *  0.3568% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  23.84 +/- 1.12   0.001% *  0.3664% (0.99   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  22.48 +/- 1.24   0.001% *  0.0922% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  22.58 +/- 1.07   0.001% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  28.32 +/- 1.23   0.000% *  0.1799% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.17 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.36, residual support = 18.8:
      O   QB    ALA   84 - HN    ALA   84   2.01 +/- 0.04  98.584% * 99.0428% (0.87  10.0   4.36  18.84) = 100.000%  kept
          HB3   LEU   80 - HN    ALA   84   4.37 +/- 0.57   1.409% *  0.0317% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  12.49 +/- 0.74   0.002% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  12.93 +/- 0.46   0.001% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  14.66 +/- 1.84   0.001% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   84  14.97 +/- 0.69   0.001% *  0.1024% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  16.24 +/- 0.90   0.000% *  0.0990% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  16.64 +/- 0.60   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  14.61 +/- 0.55   0.001% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  20.95 +/- 1.98   0.000% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  20.34 +/- 1.36   0.000% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  20.20 +/- 1.21   0.000% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  23.81 +/- 1.24   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  24.63 +/- 1.02   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  26.94 +/- 1.82   0.000% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  25.88 +/- 2.11   0.000% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.69, support = 5.88, residual support = 43.2:
          QG1   VAL   83 - HN    ALA   84   4.07 +/- 0.45  81.251% * 93.4347% (0.69   5.95  43.73) =  98.772%  kept
          QD2   LEU   80 - HN    ALA   84   5.46 +/- 0.62  18.375% *  5.1316% (0.95   0.24   0.02) =   1.227%  kept
          QD1   LEU   73 - HN    ALA   84  10.65 +/- 0.65   0.313% *  0.2775% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ALA   84  16.02 +/- 1.86   0.031% *  0.2775% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  16.89 +/- 1.50   0.018% *  0.4223% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  18.11 +/- 1.07   0.012% *  0.4564% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.16 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 6.43, residual support = 43.7:
          QG2   VAL   83 - HN    ALA   84   2.85 +/- 0.64  97.237% * 99.3105% (0.76   6.44  43.73) =  99.995%  kept
          QD1   ILE   89 - HN    ALA   84   6.00 +/- 0.36   2.083% *  0.1966% (0.49   0.02  10.56) =   0.004%
          QG2   VAL   43 - HN    ALA   84   7.54 +/- 0.59   0.603% *  0.0899% (0.22   0.02   0.02) =   0.001%
          QD2   LEU   31 - HN    ALA   84  10.72 +/- 0.85   0.078% *  0.4030% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.1, residual support = 20.0:
          HB2   SER   82 - HN    VAL   83   3.28 +/- 0.13  99.673% * 97.0119% (0.75   4.10  19.99) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   8.83 +/- 0.28   0.278% *  0.2679% (0.43   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   83  14.15 +/- 0.59   0.016% *  0.4638% (0.74   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   83  14.71 +/- 1.65   0.016% *  0.3789% (0.60   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  18.25 +/- 0.50   0.003% *  0.4690% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  17.03 +/- 0.61   0.005% *  0.2489% (0.40   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  19.71 +/- 0.79   0.002% *  0.4243% (0.68   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  18.35 +/- 1.04   0.004% *  0.1614% (0.26   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  21.73 +/- 0.51   0.001% *  0.2870% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  24.92 +/- 1.08   0.001% *  0.2870% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.18 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 +/- 0.01  99.992% * 99.4506% (0.46  10.0   4.70  87.47) = 100.000%  kept
          HA    GLN   30 - HN    VAL   83  15.16 +/- 0.72   0.004% *  0.0995% (0.46   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    VAL   83  17.21 +/- 0.80   0.002% *  0.1582% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  19.57 +/- 1.26   0.001% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  20.69 +/- 1.25   0.001% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  22.94 +/- 1.39   0.000% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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   2.44 +/- 0.63  99.976% * 99.4176% (0.75  10.0   4.77  87.47) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  14.00 +/- 1.25   0.012% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  18.28 +/- 2.10   0.003% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  18.25 +/- 0.76   0.002% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  16.29 +/- 0.78   0.004% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.44 +/- 1.45   0.003% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  23.16 +/- 1.10   0.000% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  24.24 +/- 0.97   0.000% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  23.80 +/- 0.79   0.000% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  24.76 +/- 1.21   0.000% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  29.43 +/- 1.34   0.000% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  24.86 +/- 1.08   0.000% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.09 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   3.95 +/- 0.83  99.426% *  2.8578% (0.19   0.02   0.02) =  98.408%  kept
          HB3   LEU   73 - HN    VAL   83  12.15 +/- 0.74   0.230% *  9.9416% (0.65   0.02   0.02) =   0.791%  kept
          QB    LEU   98 - HN    VAL   83  14.38 +/- 1.23   0.099% *  7.8727% (0.52   0.02   0.02) =   0.271%
          HB3   LYS+  74 - HN    VAL   83  13.36 +/- 0.62   0.118% *  4.7118% (0.31   0.02   0.02) =   0.193%
          HB    VAL   42 - HN    VAL   83  16.77 +/- 0.63   0.032% * 10.5799% (0.70   0.02   0.02) =   0.118%
          HG3   LYS+ 106 - HN    VAL   83  17.46 +/- 0.77   0.028% *  7.4142% (0.49   0.02   0.02) =   0.072%
          HG3   LYS+  33 - HN    VAL   83  19.00 +/- 1.65   0.016% * 11.0607% (0.73   0.02   0.02) =   0.060%
          HG3   LYS+ 102 - HN    VAL   83  20.92 +/- 2.06   0.012% *  9.5730% (0.63   0.02   0.02) =   0.040%
          HB3   PRO   93 - HN    VAL   83  17.05 +/- 0.67   0.029% *  1.7684% (0.12   0.02   0.02) =   0.017%
          HG3   LYS+  65 - HN    VAL   83  25.17 +/- 1.00   0.003% * 10.5799% (0.70   0.02   0.02) =   0.010%
          QB    ALA   12 - HN    VAL   83  24.98 +/- 2.27   0.002% * 10.5799% (0.70   0.02   0.02) =   0.009%
          HB2   LYS+ 112 - HN    VAL   83  25.92 +/- 1.23   0.002% *  8.7588% (0.58   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - HN    VAL   83  24.72 +/- 1.20   0.003% *  4.3014% (0.28   0.02   0.02) =   0.005%
    Distance limit 3.73 A violated in 6 structures by 0.47 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 = 0.741, support = 5.27, residual support = 86.0:
          QG1   VAL   83 - HN    VAL   83   2.59 +/- 0.42  86.915% * 89.3441% (0.75   5.34  87.47) =  98.371%  kept
          QD2   LEU   80 - HN    VAL   83   4.26 +/- 0.87  12.719% * 10.1058% (0.31   1.46   0.02) =   1.628%  kept
          QG2   ILE   89 - HN    VAL   83   6.87 +/- 0.57   0.364% *  0.2049% (0.46   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    VAL   83  18.42 +/- 1.02   0.001% *  0.2185% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  18.32 +/- 1.52   0.001% *  0.1268% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.09 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   3.12 +/- 0.63  99.147% * 99.4023% (0.74   5.33  87.47) =  99.997%  kept
          QD1   ILE   89 - HN    VAL   83   7.53 +/- 0.44   0.674% *  0.3671% (0.73   0.02   0.02) =   0.003%
          QD2   LEU   31 - HN    VAL   83   9.80 +/- 1.01   0.179% *  0.2307% (0.46   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 4.03, residual support = 33.4:
      O   HB2   SER   82 - HN    SER   82   2.07 +/- 0.07  99.988% * 99.3063% (0.87  10.0   4.03  33.40) = 100.000%  kept
          HA    ALA   88 - HN    SER   82   9.72 +/- 0.14   0.010% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  14.34 +/- 1.74   0.001% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  15.90 +/- 0.69   0.001% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  19.95 +/- 0.50   0.000% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  21.80 +/- 0.86   0.000% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  19.21 +/- 0.68   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  24.11 +/- 0.48   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.50 +/- 1.07   0.000% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  26.81 +/- 1.08   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  25.61 +/- 0.71   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.42, residual support = 33.4:
      O   HB3   SER   82 - HN    SER   82   3.09 +/- 0.12  99.944% * 99.2682% (0.69  10.0   3.42  33.40) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  11.07 +/- 0.28   0.049% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  22.95 +/- 0.76   0.001% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  17.12 +/- 0.75   0.004% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  23.62 +/- 0.87   0.001% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  24.82 +/- 0.70   0.000% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  19.62 +/- 1.29   0.002% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  27.36 +/- 1.28   0.000% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 4.5, residual support = 12.6:
          QB    LYS+  81 - HN    SER   82   2.99 +/- 0.13  99.901% * 96.3093% (0.97   4.50  12.65) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82  10.47 +/- 1.57   0.076% *  0.4099% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  16.05 +/- 0.65   0.004% *  0.4352% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  14.72 +/- 0.83   0.008% *  0.2336% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  18.30 +/- 0.92   0.002% *  0.3851% (0.87   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  16.42 +/- 1.10   0.004% *  0.1666% (0.38   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  20.03 +/- 1.86   0.001% *  0.3050% (0.69   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  22.17 +/- 2.26   0.001% *  0.3224% (0.73   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  22.26 +/- 1.68   0.001% *  0.3851% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  22.94 +/- 0.72   0.001% *  0.3393% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  27.47 +/- 0.64   0.000% *  0.3224% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  30.44 +/- 1.22   0.000% *  0.2872% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  26.22 +/- 1.19   0.000% *  0.0988% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.916, support = 4.15, residual support = 17.7:
          QG1   VAL   83 - HN    SER   82   4.67 +/- 0.43  60.044% * 81.8729% (0.95   4.52  19.99) =  88.478%  kept
          QD2   LEU   80 - HN    SER   82   5.14 +/- 0.89  37.266% * 17.1698% (0.69   1.31   0.15) =  11.516%  kept
          QG2   ILE   89 - HN    SER   82   7.92 +/- 0.56   2.432% *  0.1305% (0.34   0.02   0.02) =   0.006%
          QD1   LEU   73 - HN    SER   82  11.83 +/- 0.66   0.223% *  0.1181% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  19.78 +/- 1.50   0.011% *  0.2475% (0.65   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  20.61 +/- 1.00   0.008% *  0.3431% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  18.63 +/- 1.95   0.016% *  0.1181% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.10 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.21, residual support = 101.7:
      O   QB    LYS+  81 - HN    LYS+  81   2.47 +/- 0.12  99.963% * 99.1460% (0.97  10.0   5.21 101.65) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81  10.29 +/- 1.60   0.030% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  15.14 +/- 0.67   0.002% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  16.65 +/- 0.76   0.001% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  15.75 +/- 1.49   0.002% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  18.80 +/- 0.85   0.001% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.41 +/- 2.48   0.001% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  21.23 +/- 1.68   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  21.37 +/- 1.68   0.000% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  23.45 +/- 0.66   0.000% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  28.41 +/- 0.55   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  24.88 +/- 1.20   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  30.20 +/- 1.24   0.000% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 4.91, residual support = 101.7:
          QG    LYS+  81 - HN    LYS+  81   2.16 +/- 0.20  99.998% * 98.7645% (0.97   4.91 101.65) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  14.41 +/- 1.01   0.001% *  0.1422% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  20.00 +/- 1.38   0.000% *  0.3848% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  20.96 +/- 0.97   0.000% *  0.3943% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  24.05 +/- 1.65   0.000% *  0.1286% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  24.35 +/- 0.99   0.000% *  0.0928% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  27.20 +/- 1.33   0.000% *  0.0928% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.408, support = 5.28, residual support = 31.5:
          QD2   LEU   80 - HN    LYS+  81   4.92 +/- 0.77  38.735% * 75.5490% (0.53   5.27  31.45) =  68.258%  kept
          QD1   LEU   80 - HN    LYS+  81   4.46 +/- 0.65  61.010% * 22.3044% (0.15   5.30  31.45) =  31.740%  kept
          QD1   LEU   73 - HN    LYS+  81  11.91 +/- 0.71   0.143% *  0.4891% (0.90   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    LYS+  81  14.74 +/- 0.65   0.038% *  0.1516% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LYS+  81  18.28 +/- 1.91   0.011% *  0.4891% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  14.59 +/- 1.15   0.044% *  0.0841% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  19.93 +/- 1.69   0.006% *  0.4555% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  19.31 +/- 1.50   0.009% *  0.3088% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  21.36 +/- 1.04   0.004% *  0.1683% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.571, support = 3.19, residual support = 12.6:
          HB2   ASP-  78 - HN    GLU-  79   3.29 +/- 0.37  46.492% * 72.5713% (0.60   3.84  16.38) =  70.323%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.19 +/- 0.60  53.473% * 26.6271% (0.51   1.65   3.81) =  29.677%  kept
          HB2   ASP-  86 - HN    GLU-  79  11.76 +/- 0.39   0.026% *  0.0522% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  15.25 +/- 0.50   0.005% *  0.1587% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  19.10 +/- 1.30   0.001% *  0.2031% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  20.11 +/- 1.32   0.001% *  0.1073% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  27.30 +/- 0.59   0.000% *  0.2803% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.0941, support = 4.09, residual support = 54.9:
      O   HB2   GLU-  79 - HN    GLU-  79   2.61 +/- 0.33  99.987% * 98.3341% (0.09  10.0   4.09  54.87) = 100.000%  kept
          HG2   PRO   52 - HN    GLU-  79  14.16 +/- 1.37   0.007% *  0.2857% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU-  79  14.74 +/- 0.77   0.004% *  0.4123% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  21.15 +/- 1.49   0.000% *  0.5103% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  20.76 +/- 0.71   0.001% *  0.2174% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  25.23 +/- 1.40   0.000% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  27.10 +/- 0.91   0.000% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 3.9, residual support = 54.9:
      O   HB3   GLU-  79 - HN    GLU-  79   2.97 +/- 0.44  99.882% * 99.6469% (0.59  10.0   3.90  54.87) = 100.000%  kept
          HB2   GLN   90 - HN    GLU-  79  10.22 +/- 1.48   0.110% *  0.0789% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  79  17.34 +/- 0.83   0.003% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  16.81 +/- 0.66   0.004% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  22.87 +/- 0.58   0.001% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  28.61 +/- 0.47   0.000% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.08 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 3.95, residual support = 38.9:
      O   HB3   ASP-  78 - HN    ASP-  78   3.01 +/- 0.62  99.341% * 99.4250% (0.49  10.0   3.95  38.91) =  99.999%  kept
          QE    LYS+  74 - HN    ASP-  78   9.13 +/- 1.39   0.352% *  0.2002% (0.98   1.0   0.02   0.02) =   0.001%
          QB    CYS   50 - HN    ASP-  78   8.65 +/- 0.97   0.302% *  0.1971% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   PHE   72 - HN    ASP-  78  16.97 +/- 0.61   0.005% *  0.0455% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.90 +/- 0.79   0.000% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.977, support = 5.11, residual support = 38.0:
      O   HB2   ASP-  78 - HN    ASP-  78   2.53 +/- 0.38  89.591% * 81.8129% (0.98  10.0   5.11  38.91) =  97.508%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.88 +/- 0.50  10.399% * 18.0138% (0.84   1.0   5.17   3.24) =   2.492%  kept
          HB2   ASP-  86 - HN    ASP-  78  12.55 +/- 0.41   0.008% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  17.18 +/- 0.51   0.001% *  0.0343% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.36 +/- 1.28   0.000% *  0.0439% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  19.62 +/- 1.22   0.001% *  0.0232% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.65 +/- 0.68   0.000% *  0.0606% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.63, residual support = 28.5:
      O   HA    THR   77 - HN    ASP-  78   3.49 +/- 0.04  99.887% * 99.9219% (0.92  10.0   4.63  28.48) = 100.000%  kept
          HB2   TRP   27 - HN    ASP-  78  11.97 +/- 0.54   0.064% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASP-  78  13.40 +/- 1.66   0.046% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  19.63 +/- 0.55   0.003% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 2.47, residual support = 3.24:
          HA    ASP-  76 - HN    ASP-  78   3.57 +/- 0.18  99.999% * 99.6492% (0.95   2.47   3.24) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  24.81 +/- 1.08   0.001% *  0.3508% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.02, residual support = 37.8:
      O   HA    THR   77 - HN    THR   77   2.77 +/- 0.03  99.942% * 99.8846% (0.98  10.0   4.02  37.76) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77  11.30 +/- 1.45   0.033% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  11.22 +/- 0.66   0.025% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (2.90, 9.27, 119.07 ppm):
    6 chemical-shift based assignments, quality = 0.943, support = 3.51, residual support = 15.0:
          HB2   ASP-  76 - HN    THR   77   4.43 +/- 0.28  68.113% * 60.1808% (1.00   3.64  10.85) =  76.615%  kept
          HB2   ASP-  78 - HN    THR   77   5.09 +/- 0.44  31.841% * 39.2928% (0.76   3.10  28.48) =  23.385%  kept
          HB2   ASN   28 - HN    THR   77  16.58 +/- 0.64   0.027% *  0.0581% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  19.31 +/- 1.16   0.011% *  0.0827% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.54 +/- 0.75   0.002% *  0.3200% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  21.89 +/- 1.15   0.005% *  0.0656% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.66 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   3.99 +/- 0.39  91.170% * 95.2550% (0.57   3.64  10.85) =  99.966%  kept
          QG    GLN   90 - HN    THR   77   6.99 +/- 1.84   7.714% *  0.3155% (0.34   0.02   0.02) =   0.028%
          HG3   MET   92 - HN    THR   77  11.40 +/- 1.84   0.394% *  0.9250% (1.00   0.02   0.02) =   0.004%
          HB2   ASP-  44 - HN    THR   77   9.50 +/- 0.55   0.629% *  0.1831% (0.20   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    THR   77  17.61 +/- 0.79   0.014% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR   77  14.79 +/- 0.71   0.043% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  17.92 +/- 0.68   0.014% *  0.6354% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  19.45 +/- 0.65   0.008% *  0.7407% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  20.79 +/- 1.67   0.005% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  19.68 +/- 1.16   0.008% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  25.47 +/- 1.14   0.002% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.02, residual support = 37.8:
          QG2   THR   77 - HN    THR   77   2.10 +/- 0.27  99.848% * 96.0906% (0.61   4.02  37.76) = 100.000%  kept
          HB3   LEU   80 - HN    THR   77   7.46 +/- 1.07   0.101% *  0.3238% (0.41   0.02   0.52) =   0.000%
          HB3   ASP-  44 - HN    THR   77   9.12 +/- 0.73   0.042% *  0.1754% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   77  10.85 +/- 0.63   0.008% *  0.7451% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  17.93 +/- 0.64   0.000% *  0.4459% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  16.54 +/- 1.16   0.001% *  0.2431% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  19.25 +/- 1.51   0.000% *  0.5095% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  24.16 +/- 0.86   0.000% *  0.7064% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  27.54 +/- 0.76   0.000% *  0.7601% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.61, residual support = 3.83:
          QB    ALA   47 - HN    THR   77   4.96 +/- 1.01  98.390% * 98.6302% (0.90   2.61   3.83) =  99.990%  kept
          QG1   VAL   42 - HN    THR   77  11.65 +/- 0.68   1.166% *  0.6752% (0.80   0.02   0.02) =   0.008%
          QB    ALA   64 - HN    THR   77  13.66 +/- 0.59   0.390% *  0.3165% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    THR   77  18.78 +/- 2.04   0.055% *  0.3781% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 7 structures by 0.85 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 84.2:
      O   HA    VAL   75 - HN    VAL   75   2.94 +/- 0.00  99.935% * 99.8428% (0.97  10.0   5.27  84.24) = 100.000%  kept
          HA    ALA   61 - HN    VAL   75  10.64 +/- 0.77   0.049% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    VAL   75  13.34 +/- 1.17   0.013% *  0.1014% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  18.16 +/- 1.26   0.002% *  0.0205% (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 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 0.749:
          HB2   ASP-  44 - HN    VAL   75   4.33 +/- 0.42  97.340% * 87.0932% (0.87   0.75   0.75) =  99.943%  kept
          HB3   PHE   72 - HN    VAL   75   8.97 +/- 0.74   1.500% *  2.0462% (0.76   0.02   0.02) =   0.036%
          QG    GLN   90 - HN    VAL   75  10.77 +/- 1.46   0.639% *  1.8392% (0.69   0.02   0.02) =   0.014%
          QG    GLU-  15 - HN    VAL   75  14.59 +/- 1.19   0.091% *  2.5328% (0.95   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    VAL   75  16.15 +/- 1.67   0.065% *  2.2364% (0.84   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    VAL   75  13.48 +/- 1.71   0.269% *  0.4689% (0.18   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    VAL   75  14.40 +/- 0.72   0.086% *  0.9133% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    VAL   75  24.65 +/- 1.54   0.004% *  2.4012% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    VAL   75  21.66 +/- 0.76   0.007% *  0.4689% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.13 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.212, support = 4.34, residual support = 31.1:
          HB3   LYS+  74 - HN    VAL   75   4.06 +/- 0.20  90.957% * 42.3955% (0.20   4.42  31.96) =  97.384%  kept
          HG    LEU   73 - HN    VAL   75   7.74 +/- 0.24   1.966% * 50.4926% (0.76   1.36   0.44) =   2.507%  kept
          HG    LEU   80 - HN    VAL   75   7.61 +/- 0.97   2.817% *  0.8413% (0.87   0.02   0.44) =   0.060%
          HB2   LEU   80 - HN    VAL   75   7.81 +/- 1.15   3.091% *  0.3308% (0.34   0.02   0.44) =   0.026%
          QB    ALA   61 - HN    VAL   75   9.62 +/- 0.75   0.588% *  0.9507% (0.98   0.02   0.02) =   0.014%
          HG12  ILE   19 - HN    VAL   75  10.97 +/- 0.62   0.260% *  0.7412% (0.76   0.02   0.02) =   0.005%
          QB    ALA  110 - HN    VAL   75  12.87 +/- 1.43   0.118% *  0.8101% (0.84   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    VAL   75  15.58 +/- 1.11   0.031% *  0.9677% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   75  16.13 +/- 0.96   0.025% *  0.8953% (0.92   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  14.19 +/- 1.06   0.063% *  0.2697% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    VAL   75  14.91 +/- 1.16   0.045% *  0.2697% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    VAL   75  16.20 +/- 1.00   0.025% *  0.1919% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  20.93 +/- 1.37   0.006% *  0.6274% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  19.28 +/- 1.01   0.009% *  0.2159% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 5.68, residual support = 32.0:
          HG2   LYS+  74 - HN    VAL   75   2.93 +/- 0.62  99.156% * 95.2228% (0.45   5.68  31.96) =  99.995%  kept
          QG2   ILE   56 - HN    VAL   75   9.92 +/- 2.37   0.407% *  0.6484% (0.87   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    VAL   75   9.35 +/- 0.63   0.220% *  0.2550% (0.34   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    VAL   75  10.78 +/- 0.63   0.082% *  0.5135% (0.69   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   75  11.46 +/- 0.46   0.052% *  0.7214% (0.97   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    VAL   75  12.43 +/- 0.43   0.033% *  0.5135% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  13.92 +/- 0.69   0.019% *  0.7214% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  12.83 +/- 0.76   0.028% *  0.3073% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  19.81 +/- 0.95   0.002% *  0.3639% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  22.54 +/- 0.74   0.001% *  0.7327% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.936, support = 4.54, residual support = 83.1:
      O   HB    VAL   75 - HN    VAL   75   2.99 +/- 0.47  87.256% * 86.0003% (0.95  10.0   4.50  84.24) =  97.727%  kept
          HG3   LYS+  74 - HN    VAL   75   4.33 +/- 0.32  12.659% * 13.7864% (0.49   1.0   6.23  31.96) =   2.273%  kept
          QD1   LEU   67 - HN    VAL   75  12.62 +/- 0.74   0.021% *  0.0660% (0.73   1.0   0.02   0.02) =   0.000%
          QD2   LEU   40 - HN    VAL   75  12.90 +/- 0.98   0.017% *  0.0695% (0.76   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  11.64 +/- 1.04   0.033% *  0.0227% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  13.67 +/- 0.72   0.014% *  0.0551% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.618, support = 0.77, residual support = 1.49:
          QG2   THR   46 - HN    VAL   75   4.06 +/- 0.53  76.702% * 23.2920% (0.69   0.44   1.96) =  70.096%  kept
          QD2   LEU   73 - HN    VAL   75   6.22 +/- 1.11  12.658% * 54.1331% (0.41   1.70   0.44) =  26.885%  kept
          QG1   VAL   43 - HN    VAL   75   7.03 +/- 0.52   3.941% * 17.7301% (0.97   0.24   0.02) =   2.742%  kept
          QG2   VAL   18 - HN    VAL   75   7.01 +/- 1.11   4.947% *  1.2409% (0.80   0.02   0.02) =   0.241%
          QD1   ILE   19 - HN    VAL   75   9.49 +/- 0.64   0.565% *  0.5286% (0.34   0.02   0.02) =   0.012%
          QD1   ILE   56 - HN    VAL   75  10.80 +/- 1.46   0.871% *  0.3067% (0.20   0.02   0.02) =   0.010%
          QG1   VAL   41 - HN    VAL   75  12.01 +/- 0.65   0.152% *  1.5463% (1.00   0.02   0.02) =   0.009%
          HG    LEU   31 - HN    VAL   75  11.83 +/- 0.63   0.136% *  0.8774% (0.57   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    VAL   75  16.00 +/- 1.05   0.027% *  0.3450% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 84.2:
          QG1   VAL   75 - HN    VAL   75   3.63 +/- 0.22  99.853% * 99.6867% (0.92   5.27  84.24) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  11.36 +/- 1.41   0.147% *  0.3133% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 5.08, residual support = 84.2:
          QG2   VAL   75 - HN    VAL   75   2.47 +/- 0.52  99.443% * 99.5245% (0.49   5.08  84.24) =  99.999%  kept
          QD1   ILE   89 - HN    VAL   75   6.87 +/- 0.58   0.478% *  0.2008% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   42 - HN    VAL   75   9.31 +/- 0.80   0.079% *  0.2747% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.691, support = 4.39, residual support = 183.1:
      O   HB3   LYS+  74 - HN    LYS+  74   2.76 +/- 0.25  59.945% * 95.4294% (0.71  10.0   4.36 187.01) =  97.332%  kept
          HB3   LEU   73 - HN    LYS+  74   3.10 +/- 0.55  39.427% *  3.9766% (0.11   1.0   5.39  40.49) =   2.668%  kept
          HG12  ILE   19 - HN    LYS+  74   6.69 +/- 0.57   0.371% *  0.0580% (0.43   1.0   0.02   8.41) =   0.000%
          HB2   LEU   80 - HN    LYS+  74   9.86 +/- 0.79   0.033% *  0.0923% (0.68   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  74   9.20 +/- 1.07   0.063% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74   8.95 +/- 0.72   0.060% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   8.61 +/- 0.73   0.073% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  12.87 +/- 0.86   0.007% *  0.0830% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  13.28 +/- 1.12   0.006% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  16.24 +/- 1.70   0.002% *  0.0580% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  13.08 +/- 1.28   0.006% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  13.48 +/- 1.13   0.006% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  15.82 +/- 1.53   0.002% *  0.0503% (0.37   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  20.08 +/- 1.39   0.000% *  0.0956% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 5.74, residual support = 40.5:
          QD2   LEU   73 - HN    LYS+  74   3.86 +/- 0.26  98.823% * 97.2498% (0.20   5.74  40.49) =  99.993%  kept
          QD1   ILE   56 - HN    LYS+  74  12.66 +/- 1.88   0.904% *  0.6407% (0.37   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    LYS+  74  10.78 +/- 0.79   0.254% *  0.2133% (0.12   0.02   0.02) =   0.001%
          QD2   LEU  123 - HN    LYS+  74  17.88 +/- 1.95   0.014% *  0.6894% (0.40   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  20.01 +/- 1.06   0.006% *  1.2069% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.20 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.58, residual support = 40.5:
          HB2   LEU   73 - HN    LYS+  74   3.34 +/- 0.38  99.835% * 97.9151% (0.64   5.58  40.49) = 100.000%  kept
          QG1   ILE   56 - HN    LYS+  74  12.74 +/- 1.55   0.106% *  0.2215% (0.40   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  16.64 +/- 1.30   0.014% *  0.3904% (0.71   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  16.44 +/- 0.68   0.010% *  0.3878% (0.70   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  16.59 +/- 1.23   0.009% *  0.2990% (0.54   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  16.03 +/- 1.05   0.011% *  0.1335% (0.24   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  17.44 +/- 1.06   0.008% *  0.1754% (0.32   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  19.20 +/- 1.68   0.004% *  0.0774% (0.14   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  21.43 +/- 1.72   0.002% *  0.1468% (0.27   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  23.15 +/- 1.06   0.001% *  0.2531% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 0.02, residual support = 0.02:
          HB2   LEU   71 - HN    LYS+  74   9.29 +/- 0.49  61.902% *  5.8297% (0.27   0.02   0.02) =  42.863%  kept
          HB    VAL   41 - HN    LYS+  74  11.93 +/- 1.29  16.588% * 15.4986% (0.71   0.02   0.02) =  30.536%  kept
          QB    LYS+  66 - HN    LYS+  74  14.08 +/- 0.61   5.134% * 14.9905% (0.68   0.02   0.02) =   9.142%  kept
          QB    LYS+  65 - HN    LYS+  74  12.85 +/- 0.58   8.930% *  6.3858% (0.29   0.02   0.02) =   6.773%  kept
          HG12  ILE  103 - HN    LYS+  74  16.24 +/- 1.36   2.378% * 14.6936% (0.67   0.02   0.02) =   4.150%  kept
          HG2   PRO   93 - HN    LYS+  74  16.12 +/- 0.98   2.266% * 11.8708% (0.54   0.02   0.02) =   3.195%  kept
          HB3   PRO   52 - HN    LYS+  74  18.64 +/- 1.18   1.077% * 11.2793% (0.51   0.02   0.02) =   1.443%  kept
          QB    LYS+ 102 - HN    LYS+  74  18.41 +/- 1.44   1.122% *  8.1723% (0.37   0.02   0.02) =   1.089%  kept
          HG    LEU  123 - HN    LYS+  74  20.57 +/- 2.00   0.603% * 11.2793% (0.51   0.02   0.02) =   0.808%  kept
    Distance limit 4.43 A violated in 20 structures by 4.08 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.784, support = 4.53, residual support = 33.3:
          HB3   PHE   72 - HN    LEU   73   3.78 +/- 0.38  63.773% * 69.3125% (0.76   5.15  39.44) =  80.843%  kept
          HB2   ASP-  44 - HN    LEU   73   4.31 +/- 0.73  35.795% * 29.2584% (0.87   1.91   7.49) =  19.154%  kept
          QG    GLU-  15 - HN    LEU   73   9.81 +/- 1.42   0.270% *  0.3333% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    LEU   73  12.51 +/- 1.63   0.072% *  0.2943% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  12.35 +/- 0.99   0.059% *  0.1202% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  15.40 +/- 0.91   0.014% *  0.2420% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  20.50 +/- 1.52   0.002% *  0.3160% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  16.87 +/- 1.13   0.008% *  0.0617% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  17.77 +/- 1.45   0.006% *  0.0617% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 6.13, residual support = 171.7:
      O   HB2   LEU   73 - HN    LEU   73   3.55 +/- 0.32  99.648% * 99.3783% (0.99  10.0   6.13 171.70) = 100.000%  kept
          QD    LYS+  99 - HN    LEU   73  12.92 +/- 1.11   0.050% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  11.71 +/- 1.38   0.150% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LEU   73  13.89 +/- 0.54   0.032% *  0.0899% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  16.45 +/- 0.80   0.012% *  0.0994% (0.99   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  16.27 +/- 1.70   0.024% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  15.45 +/- 0.88   0.016% *  0.0689% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  13.33 +/- 0.95   0.045% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  17.77 +/- 1.96   0.009% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  16.15 +/- 0.72   0.013% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  21.35 +/- 0.98   0.002% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.05 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.42, support = 6.03, residual support = 158.8:
      O   HB3   LEU   73 - HN    LEU   73   3.42 +/- 0.42  70.322% * 63.6513% (0.41  10.0   6.26 171.70) =  92.245%  kept
          HB    VAL   42 - HN    LEU   73   4.28 +/- 0.72  26.028% * 12.7702% (0.49   1.0   3.39   1.40) =   6.850%  kept
          HB3   LYS+  74 - HN    LEU   73   6.41 +/- 0.46   1.936% * 22.6339% (0.87   1.0   3.37  40.49) =   0.903%  kept
          HG12  ILE   19 - HN    LEU   73   7.18 +/- 0.97   1.318% *  0.0430% (0.28   1.0   0.02   4.10) =   0.001%
          QB    LEU   98 - HN    LEU   73   9.78 +/- 0.76   0.129% *  0.1545% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  11.76 +/- 1.26   0.066% *  0.0754% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   73  11.72 +/- 0.88   0.052% *  0.0877% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  12.19 +/- 0.78   0.040% *  0.1064% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  11.60 +/- 0.94   0.055% *  0.0306% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  16.27 +/- 1.63   0.009% *  0.1429% (0.92   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  16.21 +/- 1.50   0.008% *  0.1293% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  13.96 +/- 0.48   0.018% *  0.0345% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  15.08 +/- 1.43   0.012% *  0.0345% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  17.81 +/- 1.99   0.004% *  0.0581% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  19.85 +/- 1.48   0.002% *  0.0478% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.973, support = 7.77, residual support = 169.7:
          QD2   LEU   73 - HN    LEU   73   2.60 +/- 0.80  88.161% * 83.7341% (0.98   7.82 171.70) =  98.795%  kept
          QG1   VAL   43 - HN    LEU   73   5.13 +/- 0.66   5.732% * 15.6513% (0.38   3.82   7.87) =   1.201%  kept
          QG2   VAL   18 - HN    LEU   73   5.05 +/- 0.92   5.605% *  0.0433% (0.20   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    LEU   73   8.24 +/- 0.70   0.366% *  0.1237% (0.57   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   73   9.38 +/- 0.88   0.104% *  0.2181% (1.00   0.02   1.31) =   0.000%
          QD1   ILE   56 - HN    LEU   73  11.78 +/- 1.54   0.028% *  0.1750% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  16.00 +/- 1.08   0.004% *  0.0545% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 6.12, residual support = 171.6:
          QD1   LEU   73 - HN    LEU   73   4.04 +/- 0.29  81.102% * 98.0411% (0.57   6.13 171.70) =  99.919%  kept
          QD1   LEU   63 - HN    LEU   73   7.40 +/- 1.82   7.076% *  0.3199% (0.57   0.02   0.02) =   0.028%
          QG2   VAL   41 - HN    LEU   73   6.56 +/- 0.69   5.770% *  0.3427% (0.61   0.02   0.02) =   0.025%
          QD2   LEU   63 - HN    LEU   73   8.16 +/- 1.72   2.623% *  0.5650% (1.00   0.02   0.02) =   0.019%
          QD2   LEU   98 - HN    LEU   73   7.88 +/- 1.16   2.014% *  0.2323% (0.41   0.02   0.02) =   0.006%
          QD1   LEU   80 - HN    LEU   73   9.66 +/- 1.27   0.623% *  0.2323% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    LEU   73   9.48 +/- 0.97   0.590% *  0.1258% (0.22   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   73  11.45 +/- 1.38   0.202% *  0.1409% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.48, support = 0.963, residual support = 1.26:
          QG1   VAL   42 - HN    LEU   73   2.83 +/- 0.69  96.347% * 22.5306% (0.45   0.86   1.40) =  88.652%  kept
          QB    ALA   64 - HN    LEU   73   5.65 +/- 0.50   3.627% * 76.5994% (0.73   1.80   0.13) =  11.348%  kept
          QB    ALA   47 - HN    LEU   73  13.05 +/- 0.51   0.023% *  0.6645% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    LEU   73  19.07 +/- 2.00   0.002% *  0.2055% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.254, support = 1.95, residual support = 7.81:
          QG2   VAL   43 - HN    LEU   73   4.98 +/- 0.59  81.453% * 91.8654% (0.25   1.97   7.87) =  99.167%  kept
          QD2   LEU   31 - HN    LEU   73   7.02 +/- 0.93  14.330% *  3.7410% (1.00   0.02   1.31) =   0.710%  kept
          QG2   VAL   83 - HN    LEU   73   9.29 +/- 0.49   2.097% *  2.7165% (0.73   0.02   0.02) =   0.075%
          QD1   ILE   89 - HN    LEU   73   9.38 +/- 0.51   2.120% *  1.6772% (0.45   0.02   0.02) =   0.047%
    Distance limit 4.43 A violated in 3 structures by 0.47 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.529, support = 5.02, residual support = 89.7:
      O   HB2   PHE   72 - HN    PHE   72   2.92 +/- 0.58  97.202% * 79.5534% (0.53  10.0   5.04  90.06) =  99.296%  kept
          HA    ALA   64 - HN    PHE   72   5.99 +/- 0.47   2.688% * 20.3934% (0.97   1.0   2.80  38.11) =   0.704%  kept
          HB3   ASN   69 - HN    PHE   72  10.05 +/- 0.63   0.102% *  0.0233% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  14.66 +/- 0.91   0.008% *  0.0299% (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 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.2, residual support = 90.1:
      O   HB3   PHE   72 - HN    PHE   72   3.14 +/- 0.61  94.476% * 99.3598% (0.76  10.0   5.20  90.06) =  99.993%  kept
          QG    GLU-  15 - HN    PHE   72   6.32 +/- 1.65   3.612% *  0.1230% (0.95   1.0   0.02   0.02) =   0.005%
          QG    GLU-  14 - HN    PHE   72   9.62 +/- 1.53   1.348% *  0.1086% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    PHE   72   8.12 +/- 0.74   0.506% *  0.1128% (0.87   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    PHE   72  13.60 +/- 0.96   0.026% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   72  17.19 +/- 1.63   0.007% *  0.1166% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  14.59 +/- 1.65   0.021% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  19.18 +/- 0.98   0.003% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  21.66 +/- 1.47   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 3.92, residual support = 19.5:
          HG    LEU   71 - HN    PHE   72   4.67 +/- 0.77  53.483% * 93.8940% (0.99   3.97  19.72) =  98.707%  kept
          QG2   THR   39 - HN    PHE   72   6.03 +/- 0.72  13.596% *  3.7465% (0.65   0.24   0.02) =   1.001%  kept
          HG13  ILE   19 - HN    PHE   72   5.71 +/- 1.42  32.077% *  0.4517% (0.95   0.02   0.02) =   0.285%
          HG2   LYS+  74 - HN    PHE   72  10.12 +/- 0.86   0.590% *  0.4765% (1.00   0.02   0.02) =   0.006%
          HG3   LYS+  99 - HN    PHE   72  13.96 +/- 1.28   0.081% *  0.4775% (1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    PHE   72  13.83 +/- 1.73   0.092% *  0.1063% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    PHE   72  15.09 +/- 1.02   0.047% *  0.1792% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  18.87 +/- 0.80   0.012% *  0.3089% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  17.35 +/- 0.54   0.019% *  0.1963% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  23.39 +/- 1.19   0.003% *  0.1629% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 5 structures by 0.50 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.961, support = 5.26, residual support = 19.8:
          QD2   LEU   71 - HN    PHE   72   3.17 +/- 0.33  92.754% * 91.0947% (0.97   5.28  19.72) =  99.438%  kept
          QD1   LEU   67 - HN    PHE   72   6.60 +/- 1.55   6.124% *  7.7696% (0.31   1.41  35.22) =   0.560%  kept
          QD2   LEU   40 - HN    PHE   72   8.38 +/- 1.12   0.884% *  0.0994% (0.28   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    PHE   72  10.90 +/- 1.41   0.107% *  0.3449% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    PHE   72  10.44 +/- 0.59   0.093% *  0.1880% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.68 +/- 0.82   0.018% *  0.3566% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.67 +/- 0.89   0.020% *  0.1469% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.26, residual support = 32.8:
          HB    VAL   70 - HN    LEU   71   4.09 +/- 0.22  98.194% * 98.9320% (0.98   6.26  32.79) =  99.997%  kept
          QG    GLN   17 - HN    LEU   71  10.31 +/- 1.21   0.537% *  0.3218% (1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    LEU   71  10.87 +/- 0.78   0.333% *  0.2086% (0.65   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    LEU   71  10.23 +/- 1.33   0.540% *  0.0718% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   71  10.49 +/- 0.83   0.374% *  0.0897% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  18.23 +/- 0.82   0.014% *  0.3196% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  19.41 +/- 0.73   0.009% *  0.0565% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 6.37, residual support = 138.6:
      O   HB2   LEU   71 - HN    LEU   71   2.76 +/- 0.34  99.347% * 99.5111% (0.98  10.0   6.37 138.62) = 100.000%  kept
          HB    VAL   41 - HN    LEU   71   7.22 +/- 0.65   0.397% *  0.0455% (0.45   1.0   0.02   4.34) =   0.000%
          QB    LYS+  66 - HN    LEU   71  10.06 +/- 0.78   0.111% *  0.0657% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  12.94 +/- 2.02   0.053% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.41 +/- 0.69   0.039% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  10.98 +/- 0.96   0.040% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  12.87 +/- 1.05   0.012% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  20.29 +/- 1.02   0.001% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.48, residual support = 128.1:
          HG    LEU   71 - HN    LEU   71   4.30 +/- 0.49  22.206% * 96.0977% (0.99   5.91 138.62) =  92.377%  kept
          QG2   THR   39 - HN    LEU   71   3.20 +/- 0.95  77.073% *  2.2819% (0.65   0.22   0.22) =   7.613%  kept
          HG13  ILE   19 - HN    LEU   71   9.56 +/- 1.61   0.481% *  0.3102% (0.95   0.02   0.02) =   0.006%
          HG3   LYS+  99 - HN    LEU   71   9.92 +/- 1.22   0.167% *  0.3280% (1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    LEU   71  13.53 +/- 0.99   0.020% *  0.3272% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   71  11.31 +/- 1.29   0.039% *  0.1231% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   71  15.41 +/- 1.68   0.009% *  0.0730% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LEU   71  18.18 +/- 0.55   0.003% *  0.1348% (0.41   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   71  20.15 +/- 1.05   0.002% *  0.2122% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  23.76 +/- 1.43   0.001% *  0.1119% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.09 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.909, support = 6.0, residual support = 85.0:
          QG1   VAL   70 - HN    LEU   71   3.89 +/- 0.39  46.932% * 52.9731% (0.98   5.92  32.79) =  50.669%  kept
          QD1   LEU   71 - HN    LEU   71   3.69 +/- 0.86  52.117% * 46.4411% (0.84   6.09 138.62) =  49.328%  kept
          QG1   VAL   18 - HN    LEU   71   9.05 +/- 1.12   0.340% *  0.1827% (1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   71  11.71 +/- 2.66   0.255% *  0.1526% (0.84   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    LEU   71   9.77 +/- 1.46   0.291% *  0.1255% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    LEU   71  12.09 +/- 1.01   0.058% *  0.0889% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  17.53 +/- 0.73   0.005% *  0.0362% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 6.46, residual support = 32.8:
          QG2   VAL   70 - HN    LEU   71   2.47 +/- 0.29 100.000% *100.0000% (0.73   6.46  32.79) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 83.1:
      O   HB    VAL   70 - HN    VAL   70   2.90 +/- 0.49  99.748% * 99.6297% (0.76  10.0   4.63  83.10) = 100.000%  kept
          QG    GLN   17 - HN    VAL   70   9.02 +/- 1.35   0.198% *  0.1089% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   70  11.93 +/- 0.95   0.041% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  14.13 +/- 0.63   0.011% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  21.73 +/- 0.82   0.001% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.60 +/- 1.07   0.002% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.10 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.84, support = 0.603, residual support = 2.66:
          HB3   LEU   67 - HN    VAL   70   3.82 +/- 1.17  74.480% * 27.0300% (0.87   0.58   0.02) =  91.661%  kept
          HG    LEU   40 - HN    VAL   70   7.43 +/- 0.85   5.133% * 31.4109% (0.61   0.97  35.94) =   7.341%  kept
          HG    LEU   67 - HN    VAL   70   5.07 +/- 1.10  19.238% *  0.5224% (0.49   0.02   0.02) =   0.458%
          QG    LYS+  66 - HN    VAL   70   8.93 +/- 0.77   0.426% * 14.0019% (0.98   0.27   0.02) =   0.272%
          HG    LEU   73 - HN    VAL   70  10.05 +/- 0.54   0.244% * 23.0611% (0.99   0.43   0.02) =   0.256%
          HG12  ILE   19 - HN    VAL   70  10.39 +/- 1.65   0.286% *  0.4412% (0.41   0.02   0.02) =   0.006%
          QB    ALA   61 - HN    VAL   70  10.94 +/- 0.64   0.125% *  0.7793% (0.73   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    VAL   70  17.61 +/- 2.99   0.051% *  1.0152% (0.95   0.02   0.02) =   0.002%
          HB3   LEU  115 - HN    VAL   70  17.68 +/- 1.76   0.009% *  0.6509% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   70  19.67 +/- 1.64   0.004% *  0.5224% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  20.71 +/- 1.01   0.003% *  0.5646% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 1 structures by 0.12 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.926, support = 5.1, residual support = 81.3:
          QG1   VAL   70 - HN    VAL   70   2.45 +/- 0.51  95.367% * 54.8941% (0.92   5.15  83.10) =  96.372%  kept
          QD1   LEU   71 - HN    VAL   70   5.97 +/- 1.45   4.438% * 44.4106% (1.00   3.85  32.79) =   3.628%  kept
          QD1   LEU  123 - HN    VAL   70   9.93 +/- 2.61   0.053% *  0.2309% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    VAL   70   9.85 +/- 0.98   0.049% *  0.1928% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL   70   8.96 +/- 1.13   0.087% *  0.0787% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  13.51 +/- 1.12   0.006% *  0.1928% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.21, residual support = 83.1:
          QG2   VAL   70 - HN    VAL   70   3.72 +/- 0.13 100.000% *100.0000% (0.98   4.21  83.10) = 100.000%  kept
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.98, residual support = 61.2:
      O   HB2   ASN   69 - HD22  ASN   69   3.92 +/- 0.27  98.212% * 99.7633% (0.55  10.0   2.98  61.21) = 100.000%  kept
          QE    LYS+  66 - HD22  ASN   69  10.23 +/- 2.69   1.530% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   69  12.85 +/- 2.73   0.252% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  25.01 +/- 0.90   0.002% *  0.1018% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  21.80 +/- 1.69   0.004% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  28.97 +/- 0.73   0.001% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.559, support = 3.23, residual support = 27.1:
          QG1   VAL   70 - HD22  ASN   69   4.21 +/- 1.25  74.811% * 92.1411% (0.56   3.29  27.63) =  98.170%  kept
          QD1   LEU   71 - HD22  ASN   69   8.48 +/- 2.49  20.590% *  6.1253% (0.53   0.23   0.02) =   1.796%  kept
          QD1   LEU  123 - HD22  ASN   69   9.61 +/- 2.70   4.054% *  0.5317% (0.53   0.02   0.02) =   0.031%
          HB3   LEU   63 - HD22  ASN   69  10.95 +/- 1.66   0.289% *  0.2957% (0.30   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD22  ASN   69  13.20 +/- 1.26   0.118% *  0.5425% (0.54   0.02   0.02) =   0.001%
          HB3   LEU  104 - HD22  ASN   69  12.89 +/- 1.98   0.137% *  0.3636% (0.36   0.02   0.02) =   0.001%
    Distance limit 4.25 A violated in 0 structures by 0.09 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   3.57 +/- 0.61 100.000% *100.0000% (0.92   2.96   2.96) = 100.000%  kept
    Distance limit 4.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 31.5:
          HD2   PRO   68 - HN    ASN   69   2.98 +/- 0.61  99.941% * 99.1839% (0.80   5.97  31.47) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  11.91 +/- 0.88   0.054% *  0.3922% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  18.65 +/- 0.77   0.003% *  0.2682% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.63 +/- 0.65   0.002% *  0.1556% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 31.5:
          HD3   PRO   68 - HN    ASN   69   3.47 +/- 0.65  99.977% * 98.4652% (0.99   5.97  31.47) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  16.02 +/- 1.11   0.016% *  0.2541% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  21.51 +/- 1.15   0.003% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  23.28 +/- 1.16   0.002% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  24.37 +/- 1.06   0.001% *  0.3318% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  25.97 +/- 2.05   0.001% *  0.3070% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 0.567, support = 0.02, residual support = 0.02:
          HA    ALA   64 - HN    ASN   69   7.02 +/- 0.80  76.810% * 14.1837% (0.31   0.02   0.02) =  54.024%  kept
          QE    LYS+  66 - HN    ASN   69   9.19 +/- 1.69  22.736% * 39.8620% (0.87   0.02   0.02) =  44.942%  kept
          HB3   ASN   35 - HN    ASN   69  17.22 +/- 0.78   0.454% * 45.9543% (1.00   0.02   0.02) =   1.035%  kept
    Distance limit 3.80 A violated in 20 structures by 2.86 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.84, residual support = 27.6:
          HB    VAL   70 - HN    ASN   69   4.22 +/- 0.50  98.766% * 89.1829% (0.15   3.84  27.63) =  99.986%  kept
          HB2   LYS+  38 - HN    ASN   69  12.64 +/- 1.16   0.212% *  2.9815% (0.99   0.02   0.02) =   0.007%
          QG    GLN   17 - HN    ASN   69   9.78 +/- 1.32   0.931% *  0.5953% (0.20   0.02   0.02) =   0.006%
          QB    GLU-  36 - HN    ASN   69  14.92 +/- 0.76   0.064% *  0.5268% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ASN   69  21.87 +/- 0.90   0.007% *  2.4087% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  19.62 +/- 0.86   0.013% *  1.2367% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  24.09 +/- 0.89   0.004% *  0.8364% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  28.94 +/- 1.16   0.001% *  1.8245% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  25.11 +/- 0.69   0.003% *  0.4071% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 1 structures by 0.10 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.922, support = 6.03, residual support = 31.5:
      O   HB3   PRO   68 - HN    ASN   69   4.31 +/- 0.36  30.680% * 95.4467% (0.99  10.0   6.04  31.47) =  91.952%  kept
          HG2   PRO   68 - HN    ASN   69   3.75 +/- 1.11  65.092% *  3.9329% (0.14   1.0   6.04  31.47) =   8.039%  kept
          QB    GLU-  15 - HN    ASN   69   7.29 +/- 1.61   3.777% *  0.0699% (0.73   1.0   0.02   0.02) =   0.008%
          HB2   GLN   17 - HN    ASN   69  11.67 +/- 1.52   0.212% *  0.0699% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  13.61 +/- 1.69   0.046% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASN   69  14.29 +/- 0.94   0.038% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  14.89 +/- 1.39   0.030% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  15.40 +/- 0.84   0.022% *  0.0835% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  12.53 +/- 0.79   0.090% *  0.0169% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  23.69 +/- 1.81   0.002% *  0.0771% (0.80   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  19.05 +/- 1.27   0.006% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  22.45 +/- 1.00   0.002% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.61 +/- 0.89   0.001% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  25.25 +/- 1.48   0.001% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.49, residual support = 31.5:
          HG3   PRO   68 - HN    ASN   69   3.84 +/- 0.37  99.649% * 92.7613% (0.38   5.49  31.47) =  99.997%  kept
          HB3   LYS+  38 - HN    ASN   69  12.10 +/- 1.08   0.128% *  0.8512% (0.95   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASN   69  12.96 +/- 1.06   0.093% *  0.5458% (0.61   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ASN   69  14.44 +/- 1.24   0.048% *  0.4380% (0.49   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASN   69  15.57 +/- 0.72   0.027% *  0.7205% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  16.59 +/- 0.85   0.018% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  19.98 +/- 1.26   0.007% *  0.8979% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  17.60 +/- 0.74   0.013% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  18.70 +/- 1.88   0.012% *  0.3699% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  26.03 +/- 0.97   0.001% *  0.5821% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  26.67 +/- 0.50   0.001% *  0.6877% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  24.81 +/- 1.58   0.002% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  28.35 +/- 1.26   0.001% *  0.6181% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.06 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.724, support = 4.42, residual support = 27.4:
          QG1   VAL   70 - HN    ASN   69   3.35 +/- 0.79  93.572% * 87.7029% (0.73   4.45  27.63) =  99.304%  kept
          QD1   LEU   71 - HN    ASN   69   7.81 +/- 1.61   5.346% * 10.6835% (0.49   0.81   0.02) =   0.691%  kept
          QD1   LEU  123 - HN    ASN   69   9.21 +/- 2.64   0.675% *  0.2643% (0.49   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    ASN   69   9.55 +/- 1.22   0.234% *  0.5240% (0.97   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    ASN   69  11.37 +/- 1.15   0.142% *  0.4535% (0.84   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    ASN   69  14.16 +/- 1.21   0.028% *  0.1075% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  20.48 +/- 0.81   0.003% *  0.2643% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.992, support = 3.96, residual support = 18.3:
          HD2   PRO   68 - HN    LEU   67   4.19 +/- 0.66  81.035% * 96.2993% (1.00   3.97  18.30) =  99.433%  kept
          HA    VAL   24 - HE3   TRP   27   5.84 +/- 0.71  15.445% *  2.7759% (0.04   2.66  25.75) =   0.546%  kept
          HA    ALA   61 - HN    LEU   67   7.39 +/- 0.41   3.348% *  0.4696% (0.97   0.02   0.02) =   0.020%
          HD3   PRO   58 - HN    LEU   67  13.70 +/- 0.39   0.083% *  0.1502% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  14.73 +/- 0.57   0.056% *  0.0590% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  17.88 +/- 1.45   0.019% *  0.0610% (0.13   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  21.65 +/- 0.81   0.005% *  0.1660% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  19.54 +/- 1.29   0.010% *  0.0189% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.05 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.15, residual support = 18.3:
          HD3   PRO   68 - HN    LEU   67   3.90 +/- 0.66  99.660% * 97.2982% (0.76   4.15  18.30) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  11.42 +/- 0.52   0.220% *  0.2523% (0.41   0.02   0.02) =   0.001%
          HB3   CYS   53 - HN    LEU   67  19.10 +/- 1.60   0.013% *  0.5806% (0.95   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   67  17.33 +/- 0.74   0.018% *  0.4216% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  20.44 +/- 1.17   0.008% *  0.4915% (0.80   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  21.16 +/- 2.03   0.006% *  0.6016% (0.98   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  17.26 +/- 1.50   0.022% *  0.0730% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  18.44 +/- 0.97   0.013% *  0.0618% (0.10   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  18.42 +/- 1.22   0.012% *  0.0590% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  17.44 +/- 1.26   0.016% *  0.0317% (0.05   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  19.44 +/- 1.31   0.009% *  0.0530% (0.09   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  22.98 +/- 2.48   0.003% *  0.0756% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.06 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.635, support = 1.33, residual support = 4.3:
          HA    ALA   64 - HN    LEU   67   3.26 +/- 0.35  97.165% * 20.7850% (0.65   0.98   3.65) =  90.266%  kept
          QE    LYS+  66 - HN    LEU   67   6.10 +/- 0.53   2.774% * 78.5008% (0.53   4.54  10.29) =   9.734%  kept
          HB3   ASN   35 - HE3   TRP   27  12.78 +/- 1.35   0.033% *  0.0689% (0.10   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  13.75 +/- 0.85   0.023% *  0.0534% (0.08   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  20.54 +/- 0.72   0.002% *  0.5485% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  19.69 +/- 0.98   0.002% *  0.0434% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 4.77, residual support = 57.7:
      O   HB2   LEU   67 - HN    LEU   67   2.60 +/- 0.37  98.343% * 99.1951% (0.61  10.0   4.77  57.67) =  99.998%  kept
          HG2   PRO   68 - HN    LEU   67   5.87 +/- 0.73   1.315% *  0.1058% (0.65   1.0   0.02  18.30) =   0.001%
          HB    VAL   18 - HN    LEU   67   9.02 +/- 1.06   0.091% *  0.0558% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27   8.38 +/- 1.11   0.156% *  0.0116% (0.07   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  11.89 +/- 0.66   0.017% *  0.0926% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  14.32 +/- 0.75   0.005% *  0.1578% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  15.31 +/- 1.25   0.005% *  0.1547% (0.95   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LEU   67  16.38 +/- 1.07   0.002% *  0.0796% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27   9.96 +/- 0.24   0.043% *  0.0041% (0.02   1.0   0.02   0.27) =   0.000%
          HB    VAL   18 - HE3   TRP   27  12.22 +/- 0.83   0.013% *  0.0070% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  14.99 +/- 0.97   0.005% *  0.0125% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  19.79 +/- 0.95   0.001% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.45 +/- 1.39   0.001% *  0.0252% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  19.35 +/- 1.20   0.001% *  0.0133% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  21.56 +/- 1.08   0.000% *  0.0198% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  19.07 +/- 1.10   0.001% *  0.0100% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  24.95 +/- 0.81   0.000% *  0.0324% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.74 +/- 2.31   0.001% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.941, support = 4.35, residual support = 10.0:
          QB    LYS+  66 - HN    LEU   67   3.16 +/- 0.28  87.485% * 78.6664% (0.95   4.44  10.29) =  97.174%  kept
          QB    LYS+  65 - HN    LEU   67   4.67 +/- 0.23  10.449% * 19.1410% (0.76   1.34   0.02) =   2.824%  kept
          HG    LEU  123 - HN    LEU   67   9.88 +/- 1.64   0.271% *  0.1407% (0.38   0.02   0.02) =   0.001%
          HB    VAL   41 - HE3   TRP   27   7.96 +/- 1.29   0.902% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   67   9.27 +/- 1.16   0.277% *  0.0834% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU   67  10.42 +/- 0.59   0.076% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27   8.23 +/- 1.36   0.436% *  0.0342% (0.09   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  17.77 +/- 2.58   0.012% *  0.3251% (0.87   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  14.17 +/- 0.76   0.011% *  0.3001% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  17.77 +/- 2.23   0.008% *  0.2425% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  12.22 +/- 2.01   0.037% *  0.0305% (0.08   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  18.74 +/- 1.38   0.002% *  0.3715% (0.99   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  14.53 +/- 1.22   0.011% *  0.0409% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  16.79 +/- 1.07   0.004% *  0.0446% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  16.96 +/- 0.72   0.004% *  0.0360% (0.10   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  18.24 +/- 0.76   0.003% *  0.0467% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  22.72 +/- 1.29   0.001% *  0.1407% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  15.00 +/- 1.01   0.009% *  0.0105% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  21.68 +/- 1.20   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  22.72 +/- 2.20   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.535, support = 4.69, residual support = 55.0:
      O   HB3   LEU   67 - HN    LEU   67   3.43 +/- 0.47  47.422% * 39.2306% (0.25  10.0   4.10  57.67) =  57.484%  kept
          HG    LEU   67 - HN    LEU   67   3.98 +/- 0.69  27.377% * 43.7274% (1.00   1.0   5.57  57.67) =  36.989%  kept
          QG    LYS+  66 - HN    LEU   67   4.39 +/- 0.30  11.117% * 16.0721% (0.41   1.0   4.97  10.29) =   5.521%  kept
          HG    LEU   73 - HE3   TRP   27   4.75 +/- 1.04  13.302% *  0.0120% (0.08   1.0   0.02  14.30) =   0.005%
          HG    LEU   40 - HN    LEU   67  10.30 +/- 1.10   0.080% *  0.1559% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67   9.29 +/- 0.79   0.142% *  0.0705% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   67   7.66 +/- 0.26   0.370% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  10.64 +/- 0.93   0.061% *  0.1081% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  12.20 +/- 0.81   0.025% *  0.0954% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  14.51 +/- 1.52   0.009% *  0.1559% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  14.55 +/- 1.34   0.008% *  0.1081% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  20.56 +/- 3.42   0.005% *  0.1142% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  12.17 +/- 1.48   0.026% *  0.0196% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  12.32 +/- 1.30   0.023% *  0.0089% (0.06   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  15.94 +/- 1.30   0.005% *  0.0197% (0.13   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  16.64 +/- 1.52   0.004% *  0.0144% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.68 +/- 1.14   0.002% *  0.0196% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  13.75 +/- 0.60   0.011% *  0.0031% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  15.25 +/- 1.25   0.007% *  0.0049% (0.03   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  19.48 +/- 1.70   0.002% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  19.26 +/- 1.04   0.002% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  18.04 +/- 1.00   0.002% *  0.0081% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.308, support = 3.95, residual support = 57.6:
          QD1   LEU   67 - HN    LEU   67   3.85 +/- 0.51  87.871% * 92.8486% (0.31   3.96  57.67) =  99.826%  kept
          QG2   ILE  119 - HN    LEU   67   6.53 +/- 0.66   4.803% *  1.4675% (0.97   0.02   0.02) =   0.086%
          QD2   LEU   71 - HN    LEU   67   8.47 +/- 1.27   4.421% *  1.4675% (0.97   0.02   0.02) =   0.079%
          QD2   LEU   71 - HE3   TRP   27   8.62 +/- 1.09   1.242% *  0.1845% (0.12   0.02   0.02) =   0.003%
          QD2   LEU   40 - HN    LEU   67   9.62 +/- 0.96   0.474% *  0.4228% (0.28   0.02   0.02) =   0.002%
          QD1   ILE  103 - HE3   TRP   27  10.74 +/- 1.76   0.291% *  0.1907% (0.13   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    LEU   67  16.12 +/- 1.81   0.030% *  1.5173% (1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    LEU   67  14.92 +/- 1.75   0.050% *  0.6252% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   67  14.34 +/- 0.79   0.039% *  0.8001% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HE3   TRP   27  10.73 +/- 0.77   0.218% *  0.1006% (0.07   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27  10.38 +/- 1.17   0.318% *  0.0531% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  12.24 +/- 0.87   0.108% *  0.0786% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  12.49 +/- 1.16   0.110% *  0.0590% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  15.59 +/- 1.43   0.024% *  0.1845% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.15 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.03, residual support = 25.2:
      O   HA    LYS+  65 - HN    LYS+  66   3.51 +/- 0.04  98.829% * 98.9277% (0.61  10.0   6.03  25.18) =  99.999%  kept
          HA2   GLY   16 - HN    LYS+  66   8.06 +/- 0.89   0.875% *  0.1120% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  66  10.10 +/- 0.85   0.213% *  0.1574% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  66  13.02 +/- 1.13   0.045% *  0.1463% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  13.85 +/- 0.89   0.028% *  0.0923% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  17.99 +/- 1.25   0.006% *  0.1543% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  21.38 +/- 1.37   0.002% *  0.1617% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.83 +/- 1.12   0.002% *  0.1362% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  25.45 +/- 0.69   0.001% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 6.13:
          HA    LEU   63 - HN    LYS+  66   3.35 +/- 0.27  99.997% * 98.5970% (0.99   1.61   6.13) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  21.62 +/- 0.84   0.002% *  0.8489% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  21.63 +/- 1.69   0.002% *  0.5541% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.895, support = 3.84, residual support = 14.4:
          HA    ALA   64 - HN    LYS+  66   3.96 +/- 0.22  80.477% * 75.0336% (0.95   3.74   7.02) =  93.006%  kept
          QE    LYS+  66 - HN    LYS+  66   5.17 +/- 0.46  18.405% * 24.6656% (0.22   5.22 112.86) =   6.992%  kept
          HB2   PHE   72 - HN    LYS+  66   8.24 +/- 0.65   1.115% *  0.0944% (0.22   0.02   0.18) =   0.002%
          HB3   ASN   35 - HN    LYS+  66  22.59 +/- 0.72   0.002% *  0.2064% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 0.667, support = 5.05, residual support = 107.6:
      O   QB    LYS+  66 - HN    LYS+  66   2.20 +/- 0.11  87.639% * 68.5897% (0.65  10.0   5.00 112.86) =  94.023%  kept
          QB    LYS+  65 - HN    LYS+  66   3.07 +/- 0.12  12.338% * 30.9695% (0.99   1.0   5.89  25.18) =   5.977%  kept
          HB3   GLN   17 - HN    LYS+  66   9.64 +/- 1.15   0.018% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.15 +/- 0.66   0.003% *  0.1039% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  19.14 +/- 2.55   0.001% *  0.1058% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  17.73 +/- 1.46   0.000% *  0.0951% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  15.73 +/- 0.78   0.001% *  0.0475% (0.45   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  18.91 +/- 2.29   0.001% *  0.0327% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.47, 7.27, 117.25 ppm):
    10 chemical-shift based assignments, quality = 0.37, support = 3.99, residual support = 81.8:
          QG    LYS+  66 - HN    LYS+  66   3.19 +/- 0.50  88.426% * 21.9448% (0.15   4.52 112.86) =  69.734%  kept
          HG    LEU   67 - HN    LYS+  66   5.80 +/- 1.07  11.251% * 74.8423% (0.87   2.74  10.29) =  30.260%  kept
          QB    ALA  120 - HN    LYS+  66  10.14 +/- 0.79   0.127% *  0.6067% (0.97   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    LYS+  66  11.29 +/- 0.75   0.055% *  0.5034% (0.80   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  12.04 +/- 0.99   0.041% *  0.4805% (0.76   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  66  13.47 +/- 1.52   0.029% *  0.4805% (0.76   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  66  13.35 +/- 1.15   0.022% *  0.6067% (0.97   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  66  13.33 +/- 0.87   0.021% *  0.1748% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  13.31 +/- 0.93   0.021% *  0.1244% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  22.11 +/- 3.42   0.007% *  0.2359% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.08 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.05, residual support = 7.02:
          QB    ALA   64 - HN    LYS+  66   4.25 +/- 0.18 100.000% *100.0000% (0.95   3.05   7.02) = 100.000%  kept
    Distance limit 4.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.08, residual support = 162.7:
      O   HA    LYS+  65 - HN    LYS+  65   2.82 +/- 0.03  99.598% * 99.3218% (0.64  10.0   6.08 162.70) = 100.000%  kept
          HA2   GLY   16 - HN    LYS+  65   7.55 +/- 0.92   0.366% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    LYS+  65  11.89 +/- 0.84   0.020% *  0.1018% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  14.82 +/- 0.92   0.005% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  17.11 +/- 1.06   0.002% *  0.0696% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  14.79 +/- 0.74   0.005% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  19.59 +/- 1.46   0.001% *  0.0822% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  20.12 +/- 1.23   0.001% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  19.78 +/- 0.89   0.001% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  24.47 +/- 0.61   0.000% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  22.24 +/- 0.80   0.000% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  25.57 +/- 0.85   0.000% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.63, residual support = 26.6:
      O   HA    ALA   64 - HN    LYS+  65   3.60 +/- 0.03  95.491% * 99.9016% (0.65  10.0   4.63  26.62) =  99.999%  kept
          QE    LYS+  66 - HN    LYS+  65   6.99 +/- 0.75   2.394% *  0.0235% (0.15   1.0   0.02  25.18) =   0.001%
          HB2   PHE   72 - HN    LYS+  65   7.00 +/- 0.64   2.113% *  0.0235% (0.15   1.0   0.02   0.02) =   0.001%
          HB3   ASN   35 - HN    LYS+  65  22.70 +/- 0.77   0.002% *  0.0514% (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 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.529, support = 6.62, residual support = 161.8:
      O   QB    LYS+  65 - HN    LYS+  65   2.28 +/- 0.14  97.680% * 76.2045% (0.53  10.0   6.63 162.70) =  99.312%  kept
          QB    LYS+  66 - HN    LYS+  65   4.36 +/- 0.21   2.213% * 23.2964% (0.65   1.0   4.94  25.18) =   0.688%  kept
          HB3   GLN   17 - HN    LYS+  65   7.94 +/- 1.02   0.089% *  0.0222% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  11.91 +/- 0.66   0.006% *  0.0724% (0.50   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  11.27 +/- 1.52   0.010% *  0.0374% (0.26   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  15.82 +/- 0.77   0.001% *  0.0798% (0.55   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  16.97 +/- 1.32   0.001% *  0.0988% (0.68   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.92 +/- 2.32   0.001% *  0.0865% (0.60   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  19.31 +/- 1.87   0.001% *  0.0645% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  20.20 +/- 1.39   0.000% *  0.0374% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 888 (1.48, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.137, support = 5.44, residual support = 162.7:
          HG2   LYS+  65 - HN    LYS+  65   2.80 +/- 0.49  98.963% * 91.3044% (0.14   5.44 162.70) =  99.989%  kept
          HG    LEU   67 - HN    LYS+  65   7.29 +/- 1.05   0.856% *  0.8921% (0.36   0.02   0.02) =   0.008%
          QB    ALA  120 - HN    LYS+  65  11.53 +/- 0.75   0.037% *  1.6039% (0.65   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  65  12.11 +/- 0.73   0.027% *  1.6918% (0.69   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    LYS+  65  11.28 +/- 0.89   0.039% *  0.8253% (0.34   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  65  13.27 +/- 1.13   0.019% *  1.6039% (0.65   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  12.89 +/- 0.89   0.016% *  0.6971% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  65  13.44 +/- 1.45   0.015% *  0.6971% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  14.31 +/- 1.83   0.021% *  0.2616% (0.11   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  14.93 +/- 0.72   0.006% *  0.4228% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.198, support = 5.02, residual support = 150.1:
          HG3   LYS+  65 - HN    LYS+  65   3.23 +/- 0.56  92.936% * 43.4511% (0.17   5.26 162.70) =  92.213%  kept
          HB2   LEU   63 - HN    LYS+  65   5.37 +/- 0.31   6.685% * 50.9853% (0.50   2.12   1.18) =   7.783%  kept
          HB3   ASP-  44 - HN    LYS+  65  10.62 +/- 0.95   0.113% *  0.5532% (0.58   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  65  10.01 +/- 0.65   0.148% *  0.1651% (0.17   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LYS+  65  13.07 +/- 1.22   0.033% *  0.6265% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  65  15.03 +/- 1.12   0.014% *  0.6564% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  12.92 +/- 0.60   0.031% *  0.2044% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  16.95 +/- 1.79   0.008% *  0.6564% (0.68   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  17.17 +/- 1.98   0.008% *  0.2723% (0.28   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  19.28 +/- 0.72   0.003% *  0.6608% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  18.43 +/- 1.05   0.004% *  0.3484% (0.36   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  18.14 +/- 1.32   0.005% *  0.1311% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  20.44 +/- 0.74   0.002% *  0.2969% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  21.67 +/- 1.17   0.001% *  0.4017% (0.42   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  23.18 +/- 3.18   0.003% *  0.2259% (0.24   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  17.85 +/- 1.19   0.005% *  0.1160% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  20.98 +/- 1.23   0.002% *  0.2486% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.63, residual support = 26.6:
          QB    ALA   64 - HN    LYS+  65   2.62 +/- 0.21 100.000% *100.0000% (0.65   4.63  26.62) = 100.000%  kept
    Distance limit 3.35 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 = 7.41:
          HA    ALA   61 - HN    ALA   64   3.41 +/- 0.11  99.103% * 95.1123% (0.95   0.75   7.42) =  99.981%  kept
          HD2   PRO   68 - HN    ALA   64   8.28 +/- 0.89   0.676% *  2.1470% (0.80   0.02   0.02) =   0.015%
          HD3   PRO   58 - HN    ALA   64   9.70 +/- 0.45   0.202% *  1.7345% (0.65   0.02   0.02) =   0.004%
          HA    VAL   75 - HN    ALA   64  14.38 +/- 0.57   0.019% *  1.0063% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 20.7:
      O   HA    ALA   64 - HN    ALA   64   2.82 +/- 0.04  97.975% * 99.9016% (0.95  10.0   4.22  20.75) = 100.000%  kept
          HB2   PHE   72 - HN    ALA   64   5.89 +/- 0.73   1.756% *  0.0235% (0.22   1.0   0.02  38.11) =   0.000%
          QE    LYS+  66 - HN    ALA   64   7.68 +/- 0.53   0.268% *  0.0235% (0.22   1.0   0.02   7.02) =   0.000%
          HB3   ASN   35 - HN    ALA   64  21.66 +/- 0.74   0.000% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.843, support = 4.54, residual support = 23.9:
          QB    LYS+  65 - HN    ALA   64   4.50 +/- 0.20  55.258% * 81.9862% (0.92   4.84  26.62) =  86.283%  kept
          QB    LYS+  66 - HN    ALA   64   4.73 +/- 0.43  43.306% * 16.6215% (0.34   2.66   7.02) =  13.709%  kept
          HB3   GLN   17 - HN    ALA   64   8.97 +/- 0.53   0.924% *  0.3065% (0.84   0.02   2.45) =   0.005%
          HB2   LEU   71 - HN    ALA   64  10.82 +/- 0.84   0.349% *  0.3472% (0.95   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    ALA   64  14.86 +/- 1.23   0.045% *  0.2226% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  18.30 +/- 2.21   0.025% *  0.3065% (0.84   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  14.06 +/- 0.83   0.062% *  0.0726% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  16.38 +/- 1.26   0.027% *  0.0726% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  22.10 +/- 0.94   0.004% *  0.0643% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.721, support = 6.75, residual support = 53.1:
          HB2   LEU   63 - HN    ALA   64   3.16 +/- 0.19  94.341% * 80.5432% (0.73   6.78  53.41) =  98.959%  kept
          HG3   LYS+  65 - HN    ALA   64   5.45 +/- 0.72   4.773% * 16.7093% (0.25   4.10  26.62) =   1.039%  kept
          HB3   ASP-  44 - HN    ALA   64   8.38 +/- 0.90   0.375% *  0.2732% (0.84   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   64   8.30 +/- 0.73   0.348% *  0.0816% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   64  14.90 +/- 1.74   0.027% *  0.3242% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   64  12.86 +/- 1.08   0.026% *  0.3242% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  13.18 +/- 1.21   0.021% *  0.3094% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.38 +/- 0.62   0.046% *  0.1009% (0.31   0.02   0.13) =   0.000%
          QB    ALA   84 - HN    ALA   64  17.43 +/- 0.66   0.004% *  0.3263% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  15.72 +/- 1.97   0.009% *  0.1345% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  16.12 +/- 0.99   0.006% *  0.1721% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.38 +/- 3.02   0.008% *  0.1116% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  19.76 +/- 1.22   0.002% *  0.1984% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  18.92 +/- 0.62   0.002% *  0.1466% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  16.60 +/- 1.16   0.006% *  0.0573% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  18.95 +/- 1.14   0.002% *  0.1227% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  17.47 +/- 1.14   0.004% *  0.0647% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.81, residual support = 53.4:
          HG    LEU   63 - HN    ALA   64   4.06 +/- 1.19  80.982% * 98.5955% (0.53   6.81  53.41) =  99.973%  kept
          QD1   ILE  119 - HN    ALA   64   5.71 +/- 0.76  18.753% *  0.1089% (0.20   0.02   0.02) =   0.026%
          HG3   LYS+ 112 - HN    ALA   64  15.12 +/- 2.18   0.101% *  0.5082% (0.92   0.02   0.02) =   0.001%
          QG2   VAL  108 - HN    ALA   64  14.41 +/- 0.79   0.073% *  0.3339% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  104 - HN    ALA   64  14.51 +/- 1.17   0.072% *  0.2468% (0.45   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  18.20 +/- 0.69   0.019% *  0.2066% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.29 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.73, residual support = 53.4:
          HB3   LEU   63 - HN    ALA   64   3.82 +/- 0.43  85.443% * 99.3326% (0.97   6.73  53.41) =  99.977%  kept
          QG1   VAL   18 - HN    ALA   64   6.38 +/- 0.78   6.672% *  0.1608% (0.53   0.02   8.67) =   0.013%
          QG1   VAL   70 - HN    ALA   64   6.77 +/- 1.25   5.313% *  0.1257% (0.41   0.02   0.02) =   0.008%
          QD1   LEU  123 - HN    ALA   64   8.32 +/- 1.74   1.996% *  0.0681% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   71 - HN    ALA   64   9.58 +/- 1.13   0.555% *  0.0681% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ALA   64  15.83 +/- 0.83   0.021% *  0.2448% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.12 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 6.1, residual support = 53.4:
          QD2   LEU   63 - HN    ALA   64   4.34 +/- 0.50  49.284% * 60.0108% (1.00   5.73  53.41) =  60.467%  kept
          QD1   LEU   63 - HN    ALA   64   4.34 +/- 0.49  48.983% * 39.4728% (0.57   6.66  53.41) =  39.530%  kept
          QD2   LEU  115 - HN    ALA   64   8.36 +/- 1.03   1.149% *  0.0522% (0.25   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  10.75 +/- 0.47   0.255% *  0.1185% (0.57   0.02   0.13) =   0.001%
          QG2   VAL   41 - HN    ALA   64  11.98 +/- 0.61   0.131% *  0.1270% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ALA   64  12.37 +/- 1.50   0.145% *  0.0861% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  15.64 +/- 1.41   0.029% *  0.0861% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  15.72 +/- 0.80   0.025% *  0.0466% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.05 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.7:
      O   QB    ALA   64 - HN    ALA   64   2.06 +/- 0.08 100.000% *100.0000% (0.95  10.0   4.22  20.75) = 100.000%  kept
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (4.22, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 42.4:
      O   HA    ASP-  62 - HN    LEU   63   3.62 +/- 0.03  99.894% * 99.8321% (0.97  10.0   5.24  42.45) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  11.79 +/- 1.08   0.102% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  20.93 +/- 0.90   0.003% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  25.45 +/- 0.87   0.001% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 11.6:
          HA    PHE   60 - HN    LEU   63   3.56 +/- 0.21  99.492% * 92.4872% (0.69   1.50  11.61) =  99.995%  kept
          HA    ALA  120 - HN    LEU   63   9.64 +/- 0.87   0.303% *  0.6124% (0.34   0.02   0.02) =   0.002%
          QB    SER  117 - HN    LEU   63  11.57 +/- 0.85   0.097% *  1.7794% (0.99   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    LEU   63  12.55 +/- 1.12   0.063% *  1.3720% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU   63  14.27 +/- 1.19   0.032% *  1.2332% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.74 +/- 0.89   0.007% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  18.19 +/- 1.28   0.006% *  1.0164% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 7.52, residual support = 241.3:
      O   HA    LEU   63 - HN    LEU   63   2.79 +/- 0.04  99.999% * 99.8508% (0.76  10.0   7.52 241.31) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  21.71 +/- 1.53   0.001% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  19.57 +/- 0.98   0.001% *  0.0446% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.29 +/- 0.56  99.963% * 99.7490% (0.98   5.24  42.45) = 100.000%  kept
          HB2   PRO   52 - HN    LEU   63  16.31 +/- 1.75   0.012% *  0.1741% (0.45   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    LEU   63  13.85 +/- 0.86   0.025% *  0.0769% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.4:
          HB3   ASP-  62 - HN    LEU   63   2.82 +/- 0.54  99.991% * 98.9514% (0.95   5.24  42.45) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  15.38 +/- 1.19   0.007% *  0.3685% (0.92   0.02   0.66) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  23.51 +/- 2.49   0.001% *  0.2899% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  22.54 +/- 1.00   0.001% *  0.2260% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  24.51 +/- 1.21   0.000% *  0.1641% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.04 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.87, residual support = 241.3:
      O   HB2   LEU   63 - HN    LEU   63   2.09 +/- 0.09  99.770% * 98.8228% (0.73  10.0   7.87 241.31) = 100.000%  kept
          HG3   LYS+  65 - HN    LEU   63   6.63 +/- 0.95   0.177% *  0.0339% (0.25   1.0   0.02   1.18) =   0.000%
          HB3   ASP-  44 - HN    LEU   63   8.68 +/- 1.05   0.026% *  0.1137% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  11.51 +/- 1.25   0.005% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   63   9.86 +/- 0.95   0.011% *  0.0339% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.72 +/- 0.82   0.002% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  13.32 +/- 1.91   0.003% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  15.65 +/- 1.94   0.001% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.09 +/- 0.82   0.002% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  15.66 +/- 1.12   0.001% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  17.60 +/- 0.72   0.000% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.96 +/- 1.17   0.000% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  21.90 +/- 2.99   0.000% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  20.71 +/- 1.43   0.000% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  17.62 +/- 1.22   0.000% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  20.59 +/- 0.82   0.000% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  19.70 +/- 1.19   0.000% *  0.0269% (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 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 7.45, residual support = 241.3:
          HG    LEU   63 - HN    LEU   63   3.35 +/- 0.34  99.561% * 99.4964% (1.00   7.45 241.31) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   8.97 +/- 0.77   0.355% *  0.0469% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  12.82 +/- 2.13   0.081% *  0.1944% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  19.30 +/- 0.81   0.003% *  0.2624% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.22 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.51, residual support = 241.3:
      O   HB3   LEU   63 - HN    LEU   63   3.35 +/- 0.12  96.774% * 99.7743% (0.97  10.0   7.51 241.31) =  99.999%  kept
          QD1   LEU  123 - HN    LEU   63   7.40 +/- 1.60   1.713% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU   63   7.82 +/- 0.71   0.703% *  0.0544% (0.53   1.0   0.02   0.02) =   0.000%
          QG1   VAL   70 - HN    LEU   63   8.05 +/- 1.09   0.708% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  11.41 +/- 1.31   0.088% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   63  14.91 +/- 0.97   0.014% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.875, support = 6.86, residual support = 241.3:
          QD1   LEU   63 - HN    LEU   63   3.47 +/- 0.49  64.810% * 47.8324% (0.90   6.50 241.31) =  64.898%  kept
          QD2   LEU   63 - HN    LEU   63   3.90 +/- 0.71  32.431% * 51.6940% (0.84   7.54 241.31) =  35.097%  kept
          QD2   LEU  115 - HN    LEU   63   6.64 +/- 1.00   2.594% *  0.0930% (0.57   0.02   0.02) =   0.005%
          QD1   LEU   73 - HN    LEU   63  12.26 +/- 0.65   0.037% *  0.1472% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  13.24 +/- 1.30   0.035% *  0.0507% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.07 +/- 1.63   0.054% *  0.0253% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  13.18 +/- 0.80   0.025% *  0.0457% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  16.73 +/- 0.91   0.006% *  0.0864% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  16.57 +/- 1.52   0.007% *  0.0253% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.84, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.67 +/- 0.44  99.988% * 99.9341% (0.84  10.0   3.84  41.03) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  15.41 +/- 1.39   0.006% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.48 +/- 0.87   0.006% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.07 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 +/- 0.29  99.999% * 99.7231% (0.82  10.0   3.84  41.03) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.92 +/- 0.86   0.001% *  0.0973% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  25.00 +/- 2.52   0.000% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  23.42 +/- 0.76   0.000% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  25.33 +/- 1.08   0.000% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.381, support = 0.0197, residual support = 0.0197:
          QB    LYS+  66 - HN    ASP-  62   6.23 +/- 0.65  88.878% *  5.0993% (0.32   0.02   0.02) =  81.872%  kept
          HG    LEU  123 - HN    ASP-  62  11.29 +/- 1.55   4.142% * 12.8527% (0.82   0.02   0.02) =   9.616%  kept
          HG3   PRO   68 - HN    ASP-  62  12.77 +/- 0.97   1.605% *  8.7895% (0.56   0.02   0.02) =   2.548%  kept
          HG2   ARG+  54 - HN    ASP-  62  12.78 +/- 1.58   1.785% *  7.6923% (0.49   0.02   0.02) =   2.480%  kept
          HB3   PRO   52 - HN    ASP-  62  16.06 +/- 1.31   0.368% * 12.8527% (0.82   0.02   0.02) =   0.855%  kept
          HB3   ASP- 105 - HN    ASP-  62  14.54 +/- 1.14   0.614% *  7.1484% (0.45   0.02   0.02) =   0.793%  kept
          HG2   PRO   93 - HN    ASP-  62  13.26 +/- 1.38   1.318% *  2.3795% (0.15   0.02   0.02) =   0.566%  kept
          QB    LYS+ 106 - HN    ASP-  62  14.54 +/- 0.78   0.596% *  3.3879% (0.21   0.02   0.02) =   0.365%
          HB    VAL   41 - HN    ASP-  62  17.10 +/- 0.78   0.242% *  7.6923% (0.49   0.02   0.02) =   0.336%
          HG12  ILE  103 - HN    ASP-  62  19.41 +/- 1.69   0.118% *  9.8662% (0.63   0.02   0.02) =   0.211%
          HB    ILE  103 - HN    ASP-  62  20.73 +/- 2.10   0.095% *  8.2409% (0.52   0.02   0.02) =   0.142%
          QB    LYS+  33 - HN    ASP-  62  19.02 +/- 0.97   0.132% *  5.5858% (0.35   0.02   0.02) =   0.133%
          HB3   GLN   90 - HN    ASP-  62  21.68 +/- 1.21   0.057% *  4.6346% (0.29   0.02   0.02) =   0.048%
          QB    LYS+  81 - HN    ASP-  62  22.27 +/- 0.55   0.049% *  3.7777% (0.24   0.02   0.02) =   0.033%
    Distance limit 4.24 A violated in 19 structures by 1.88 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   2.84 +/- 0.18  98.738% * 94.7960% (0.80   2.79   8.35) =  99.994%  kept
          QG    LYS+  66 - HN    ASP-  62   6.57 +/- 1.06   1.132% *  0.4468% (0.52   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    ASP-  62  10.21 +/- 0.78   0.059% *  0.5898% (0.69   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  12.74 +/- 2.21   0.018% *  0.7366% (0.86   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  11.81 +/- 0.71   0.023% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.08 +/- 1.01   0.008% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  13.67 +/- 0.80   0.010% *  0.3028% (0.35   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  15.21 +/- 1.59   0.006% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  20.16 +/- 1.18   0.001% *  0.7349% (0.86   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.61 +/- 1.16   0.003% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  20.39 +/- 1.30   0.001% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.92 +/- 2.83   0.001% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.859, support = 1.65, residual support = 3.76:
          QB    LYS+  66 - HN    LEU   63   4.60 +/- 0.55  61.380% * 37.8791% (0.95   1.15   6.13) =  52.077%  kept
          QB    LYS+  65 - HN    LEU   63   5.12 +/- 0.40  36.483% * 58.6268% (0.76   2.20   1.18) =  47.908%  kept
          HG    LEU  123 - HN    LEU   63   9.63 +/- 1.56   1.469% *  0.2620% (0.38   0.02   0.02) =   0.009%
          HG2   PRO   93 - HN    LEU   63  13.35 +/- 1.44   0.120% *  0.6919% (0.99   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LEU   63  12.84 +/- 1.11   0.152% *  0.5069% (0.73   0.02   0.02) =   0.002%
          HB3   GLN   17 - HN    LEU   63  11.34 +/- 0.61   0.270% *  0.1554% (0.22   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  15.31 +/- 0.99   0.045% *  0.5589% (0.80   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU   63  17.50 +/- 1.96   0.030% *  0.4516% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  18.73 +/- 2.23   0.022% *  0.6055% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   63  16.97 +/- 1.48   0.027% *  0.2620% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 5.01, residual support = 41.8:
      O   HA    PHE   60 - HN    ALA   61   3.63 +/- 0.02  99.808% * 99.3945% (0.69  10.0   5.01  41.84) = 100.000%  kept
          QB    SER  117 - HN    ALA   61  13.74 +/- 0.56   0.035% *  0.1434% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA   61  13.21 +/- 0.69   0.045% *  0.0994% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  14.46 +/- 1.08   0.028% *  0.1209% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.24 +/- 0.80   0.045% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  15.09 +/- 1.38   0.025% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  16.09 +/- 0.76   0.014% *  0.1106% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 2.76, residual support = 18.0:
      O   HA    ALA   61 - HN    ALA   61   2.82 +/- 0.03  98.464% * 99.8077% (0.95  10.0   2.76  17.96) =  99.999%  kept
          HD3   PRO   58 - HN    ALA   61   5.77 +/- 0.44   1.513% *  0.0683% (0.65   1.0   0.02   1.07) =   0.001%
          HD2   PRO   68 - HN    ALA   61  12.66 +/- 0.98   0.014% *  0.0845% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  13.17 +/- 0.54   0.010% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.89, residual support = 41.8:
          HB2   PHE   60 - HN    ALA   61   2.70 +/- 0.44  99.869% * 99.4673% (0.84   4.89  41.84) = 100.000%  kept
          HB    THR   46 - HN    ALA   61   9.34 +/- 1.00   0.129% *  0.0963% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  18.46 +/- 0.87   0.002% *  0.4364% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.01, residual support = 41.8:
          HB3   PHE   60 - HN    ALA   61   3.32 +/- 0.51  99.960% * 99.1938% (0.98   5.01  41.84) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   61  16.47 +/- 0.93   0.010% *  0.3506% (0.87   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   61  14.68 +/- 0.70   0.020% *  0.1661% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  16.34 +/- 0.64   0.010% *  0.1517% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  24.00 +/- 1.00   0.001% *  0.1379% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.01, residual support = 18.0:
      O   QB    ALA   61 - HN    ALA   61   2.08 +/- 0.07  99.944% * 99.0576% (0.73  10.0   4.01  17.96) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.59 +/- 0.93   0.025% *  0.1337% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61  10.15 +/- 1.35   0.011% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  11.21 +/- 1.03   0.005% *  0.1183% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  12.08 +/- 2.46   0.005% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  12.48 +/- 0.79   0.002% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  11.55 +/- 1.19   0.004% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  13.02 +/- 1.05   0.002% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  14.95 +/- 0.96   0.001% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  18.06 +/- 1.22   0.000% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  23.89 +/- 2.50   0.000% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 40.2:
          HD3   PRO   58 - HN    PHE   59   2.36 +/- 0.33  99.789% * 99.4994% (0.76   6.10  40.18) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   7.05 +/- 0.23   0.206% *  0.1135% (0.26   0.02   0.64) =   0.000%
          HA    VAL   75 - HN    PHE   59  15.60 +/- 0.77   0.002% *  0.3212% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  14.93 +/- 1.02   0.003% *  0.0659% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.37, residual support = 58.7:
      O   HB2   PHE   59 - HN    PHE   59   2.44 +/- 0.47  99.633% * 99.5977% (0.76  10.0   4.37  58.70) = 100.000%  kept
          QB    PHE   55 - HN    PHE   59   7.29 +/- 0.67   0.245% *  0.0951% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    PHE   59   9.70 +/- 1.28   0.058% *  0.0690% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  11.19 +/- 1.11   0.025% *  0.0872% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  10.77 +/- 1.47   0.034% *  0.0609% (0.47   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  14.70 +/- 1.13   0.005% *  0.0901% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 58.7:
      O   HB3   PHE   59 - HN    PHE   59   2.45 +/- 0.45  99.968% * 99.9594% (0.67  10.0   4.98  58.70) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59  10.21 +/- 1.16   0.030% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  16.78 +/- 1.13   0.002% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 40.2:
      O   HB2   PRO   58 - HN    PHE   59   3.62 +/- 0.49  99.221% * 98.5251% (0.19  10.0   6.58  40.18) =  99.997%  kept
          HB2   GLN  116 - HN    PHE   59   9.17 +/- 0.90   0.739% *  0.3300% (0.64   1.0   0.02   0.64) =   0.002%
          HB3   PHE   97 - HN    PHE   59  15.09 +/- 1.34   0.030% *  0.2714% (0.53   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   59  19.06 +/- 1.20   0.008% *  0.3164% (0.62   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  25.09 +/- 1.54   0.001% *  0.3647% (0.71   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  25.22 +/- 1.03   0.001% *  0.1923% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.05 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.3, residual support = 40.2:
          HG2   PRO   58 - HN    PHE   59   3.01 +/- 0.27  99.626% * 98.7283% (0.76   6.30  40.18) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   8.89 +/- 1.29   0.231% *  0.1314% (0.32   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  13.39 +/- 1.29   0.020% *  0.3134% (0.76   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59   9.89 +/- 0.98   0.109% *  0.0560% (0.14   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  15.09 +/- 1.93   0.010% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  21.67 +/- 1.55   0.001% *  0.3190% (0.77   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  17.42 +/- 0.81   0.003% *  0.0889% (0.21   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  30.83 +/- 1.96   0.000% *  0.3197% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.686, support = 6.24, residual support = 39.9:
      O   HB3   PRO   58 - HN    PHE   59   4.11 +/- 0.28  62.402% * 97.6194% (0.69  10.0   6.30  40.18) =  98.762%  kept
          HB    ILE   56 - HN    PHE   59   4.78 +/- 1.30  37.516% *  2.0356% (0.19   1.0   1.50  20.70) =   1.238%  kept
          HB2   MET   92 - HN    PHE   59  14.04 +/- 0.89   0.040% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  14.95 +/- 0.75   0.031% *  0.0271% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  20.39 +/- 0.99   0.005% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  21.26 +/- 1.88   0.004% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  25.53 +/- 1.13   0.001% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  30.91 +/- 1.82   0.000% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.17 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.7:
          QG1   ILE   56 - HN    PHE   59   3.55 +/- 0.74  99.710% * 97.7319% (0.67   4.26  20.70) =  99.999%  kept
          HB3   MET   92 - HN    PHE   59  12.74 +/- 0.79   0.073% *  0.2369% (0.35   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  13.98 +/- 1.88   0.074% *  0.1803% (0.26   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    PHE   59  15.28 +/- 1.29   0.031% *  0.4232% (0.62   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  15.52 +/- 1.06   0.024% *  0.3205% (0.47   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  13.74 +/- 1.07   0.061% *  0.0815% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  18.73 +/- 1.16   0.009% *  0.4414% (0.64   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  17.42 +/- 0.93   0.013% *  0.1803% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  20.22 +/- 1.26   0.005% *  0.4039% (0.59   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.353, support = 0.02, residual support = 1.87:
          HA    ALA   61 - HN    ALA   57   8.67 +/- 0.74  97.933% * 14.7090% (0.34   0.02   1.95) =  96.294%  kept
          HD2   PRO   68 - HN    ALA   57  17.72 +/- 1.34   1.487% * 22.6869% (0.53   0.02   0.02) =   2.255%  kept
          HA    VAL   24 - HN    ALA   57  21.34 +/- 1.35   0.462% * 41.6148% (0.97   0.02   0.02) =   1.285%  kept
          HA    LYS+  38 - HN    ALA   57  26.85 +/- 1.61   0.118% * 20.9893% (0.49   0.02   0.02) =   0.166%
    Distance limit 3.47 A violated in 20 structures by 5.17 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.344, support = 0.203, residual support = 0.02:
          HB3   CYS   53 - HN    ALA   57   7.10 +/- 1.23  48.429% * 82.7656% (0.34   0.22   0.02) =  90.944%  kept
          HD2   ARG+  54 - HN    ALA   57   7.88 +/- 2.00  37.339% *  9.0357% (0.41   0.02   0.02) =   7.655%  kept
          HD3   PRO   93 - HN    ALA   57   9.30 +/- 1.59  13.906% *  4.3495% (0.20   0.02   0.02) =   1.372%  kept
          HD3   PRO   68 - HN    ALA   57  17.55 +/- 1.38   0.326% *  3.8491% (0.18   0.02   0.02) =   0.028%
    Distance limit 4.42 A violated in 13 structures by 1.66 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.509, support = 4.89, residual support = 29.9:
          HB    ILE   56 - HN    ALA   57   3.93 +/- 0.93  80.812% * 25.6660% (0.25   5.34  33.45) =  59.870%  kept
          HB3   PRO   58 - HN    ALA   57   5.44 +/- 0.42  19.015% * 73.1115% (0.90   4.23  24.56) =  40.129%  kept
          HB2   MET   92 - HN    ALA   57  12.26 +/- 1.17   0.124% *  0.2801% (0.73   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    ALA   57  15.30 +/- 1.26   0.035% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  20.90 +/- 1.60   0.006% *  0.2184% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  22.55 +/- 2.17   0.005% *  0.2029% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  27.61 +/- 1.62   0.001% *  0.1448% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  32.43 +/- 2.32   0.001% *  0.2801% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.14 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   2.53 +/- 0.49  99.904% * 99.4737% (0.92  10.0   4.87  24.31) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  10.03 +/- 1.09   0.063% *  0.1068% (0.99   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  11.80 +/- 1.10   0.020% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  15.29 +/- 2.15   0.006% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  15.78 +/- 1.20   0.004% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  17.09 +/- 1.16   0.002% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  19.66 +/- 1.22   0.001% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  22.15 +/- 1.54   0.000% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  26.23 +/- 1.44   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.07 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 33.4:
          QG2   ILE   56 - HN    ALA   57   3.37 +/- 0.80  99.698% * 97.4851% (0.87   5.34  33.45) =  99.999%  kept
          HG2   LYS+  74 - HN    ALA   57  10.63 +/- 1.20   0.210% *  0.1888% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   57  12.61 +/- 0.93   0.059% *  0.4064% (0.97   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  17.48 +/- 1.65   0.011% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  18.38 +/- 1.50   0.005% *  0.4064% (0.97   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  19.04 +/- 1.33   0.004% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  18.73 +/- 1.50   0.006% *  0.1437% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  19.78 +/- 1.91   0.004% *  0.1731% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  24.12 +/- 1.58   0.001% *  0.2050% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  28.86 +/- 1.81   0.000% *  0.4128% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.15 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 61.2:
      O   HB2   ASN   69 - HD21  ASN   69   3.10 +/- 0.54  99.574% * 99.6854% (0.36  10.0   3.63  61.21) =  99.999%  kept
          QE    LYS+  66 - HD21  ASN   69  10.29 +/- 2.29   0.415% *  0.1287% (0.47   1.0   0.02   0.02) =   0.001%
          HB3   ASN   35 - HD21  ASN   69  16.10 +/- 1.91   0.009% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  24.40 +/- 0.96   0.001% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  28.42 +/- 0.85   0.000% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.317, support = 4.11, residual support = 27.4:
          QG1   VAL   70 - HD21  ASN   69   3.84 +/- 1.04  79.943% * 94.6245% (0.32   4.14  27.63) =  99.248%  kept
          QD1   LEU   71 - HD21  ASN   69   7.89 +/- 2.36  17.550% *  3.2172% (0.19   0.23   0.02) =   0.741%  kept
          QD1   LEU  123 - HD21  ASN   69   9.88 +/- 2.65   2.171% *  0.2752% (0.19   0.02   0.02) =   0.008%
          HB3   LEU   63 - HD21  ASN   69  10.76 +/- 1.26   0.205% *  0.8069% (0.56   0.02   0.02) =   0.002%
          QG1   VAL   18 - HD21  ASN   69  12.57 +/- 1.17   0.127% *  0.5542% (0.39   0.02   0.02) =   0.001%
          QG1   VAL  108 - HD21  ASN   69  20.69 +/- 1.25   0.004% *  0.5220% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.371, support = 0.0198, residual support = 0.0198:
          HA    LEU  123 - HD21  ASN   69  10.81 +/- 3.66  31.003% * 14.3693% (0.39   0.02   0.02) =  49.688%  kept
          HA    LYS+  99 - HD21  ASN   69  10.86 +/- 1.32  11.637% * 19.7883% (0.53   0.02   0.02) =  25.684%  kept
          HA    LEU   40 - HD21  ASN   69   8.57 +/- 1.57  52.539% *  2.8311% (0.08   0.02   0.02) =  16.590%  kept
          HA    ASN   35 - HD21  ASN   69  13.68 +/- 1.89   3.054% * 17.4728% (0.47   0.02   0.02) =   5.951%  kept
          HA    PHE   59 - HD21  ASN   69  15.99 +/- 1.44   1.394% *  8.6000% (0.23   0.02   0.02) =   1.337%  kept
          HA    ILE   56 - HD21  ASN   69  21.36 +/- 1.55   0.236% * 16.7505% (0.45   0.02   0.02) =   0.441%
          HA    ASP- 113 - HD21  ASN   69  22.53 +/- 2.18   0.137% * 20.1881% (0.54   0.02   0.02) =   0.309%
    Distance limit 4.75 A violated in 17 structures by 2.36 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.26, residual support = 20.0:
          QB    PHE   55 - HN    ILE   56   2.83 +/- 0.29  94.551% * 97.6819% (0.97   4.27  19.97) =  99.975%  kept
          HB3   CYS   53 - HN    ILE   56   5.61 +/- 0.60   2.318% *  0.4580% (0.97   0.02   0.02) =   0.011%
          HB2   PHE   59 - HN    ILE   56   6.18 +/- 0.95   1.553% *  0.3627% (0.76   0.02  20.70) =   0.006%
          HD3   PRO   93 - HN    ILE   56   7.00 +/- 1.71   0.878% *  0.4735% (1.00   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HN    ILE   56   6.86 +/- 0.52   0.693% *  0.4381% (0.92   0.02   0.02) =   0.003%
          HD3   PRO   68 - HN    ILE   56  20.04 +/- 1.22   0.001% *  0.4704% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  17.64 +/- 0.45   0.002% *  0.0205% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  18.16 +/- 1.20   0.002% *  0.0199% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  18.98 +/- 1.52   0.001% *  0.0157% (0.03   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.91 +/- 0.89   0.001% *  0.0199% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  21.80 +/- 1.01   0.001% *  0.0204% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  24.64 +/- 2.20   0.000% *  0.0190% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.867, support = 6.04, residual support = 124.1:
      O   HB    ILE   56 - HN    ILE   56   3.14 +/- 0.58  90.475% * 99.2786% (0.87  10.0   6.04 124.14) =  99.997%  kept
          HG2   ARG+  54 - HN    ILE   56   5.56 +/- 0.88   8.208% *  0.0200% (0.18   1.0   0.02   0.02) =   0.002%
          HB3   PRO   58 - HN    ILE   56   7.80 +/- 0.74   0.573% *  0.0916% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ILE   56  10.03 +/- 1.27   0.136% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87   9.01 +/- 0.68   0.211% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  14.01 +/- 1.32   0.012% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87   9.64 +/- 0.60   0.154% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  16.09 +/- 1.24   0.007% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  17.02 +/- 0.83   0.005% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  22.20 +/- 1.59   0.001% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  18.83 +/- 1.19   0.002% *  0.0471% (0.41   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.54 +/- 0.36   0.050% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  10.72 +/- 1.91   0.083% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  12.50 +/- 0.52   0.030% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  13.50 +/- 1.02   0.023% *  0.0017% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  16.65 +/- 0.85   0.006% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  29.35 +/- 1.23   0.000% *  0.1105% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.03 +/- 1.48   0.001% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  21.78 +/- 1.37   0.001% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  18.05 +/- 0.73   0.003% *  0.0048% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.21 +/- 1.58   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  14.63 +/- 0.90   0.014% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  19.81 +/- 1.91   0.002% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  23.52 +/- 1.29   0.001% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  34.97 +/- 2.57   0.000% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  22.99 +/- 2.03   0.001% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  23.03 +/- 1.44   0.001% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  30.61 +/- 2.65   0.000% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 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 = 124.1:
          QG1   ILE   56 - HN    ILE   56   3.85 +/- 0.58  96.044% * 98.0275% (0.87   5.17 124.14) =  99.997%  kept
          HB3   MET   92 - HN    ILE   56   8.91 +/- 1.17   1.186% *  0.1958% (0.45   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    ILE   56  12.40 +/- 1.98   0.268% *  0.1490% (0.34   0.02   2.10) =   0.000%
          QD    LYS+ 106 - HN    ILE   56  15.62 +/- 1.49   0.036% *  0.3498% (0.80   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   8.26 +/- 0.49   1.347% *  0.0065% (0.01   0.02  17.49) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  10.26 +/- 1.52   0.661% *  0.0115% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ILE   56  17.33 +/- 1.51   0.021% *  0.2650% (0.61   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ILE   56  15.53 +/- 1.25   0.036% *  0.1490% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  11.41 +/- 1.00   0.195% *  0.0152% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  21.91 +/- 1.13   0.004% *  0.3649% (0.84   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  14.29 +/- 1.51   0.069% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  13.94 +/- 1.28   0.070% *  0.0145% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  23.38 +/- 1.31   0.003% *  0.3338% (0.76   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  18.33 +/- 1.01   0.010% *  0.0674% (0.15   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  16.66 +/- 1.43   0.024% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  16.67 +/- 0.65   0.020% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  22.66 +/- 1.03   0.003% *  0.0065% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  24.20 +/- 1.89   0.003% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.20 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.46, support = 0.798, residual support = 1.93:
          QB    ALA  110 - HN    ILE   56   6.74 +/- 3.38  55.882% * 11.8340% (0.20   0.82   3.59) =  47.839%  kept
          HB3   LEU  115 - HN    ILE   56   8.16 +/- 0.74   6.556% * 65.5326% (0.92   0.98   0.40) =  31.081%  kept
          HG    LEU  115 - HN    ILE   56   7.57 +/- 1.31  21.842% * 13.1470% (0.38   0.48   0.40) =  20.773%  kept
          QB    ALA   61 - HN    ILE   56   8.47 +/- 0.70   5.889% *  0.5451% (0.38   0.02   0.02) =   0.232%
          QG    LYS+  66 - HN    ILE   56  14.33 +/- 1.28   0.291% *  1.0546% (0.73   0.02   0.02) =   0.022%
          QB    ALA  120 - HN    ILE   56  13.71 +/- 0.91   0.401% *  0.5451% (0.38   0.02   0.02) =   0.016%
          HG    LEU   73 - HZ2   TRP   87   9.81 +/- 0.99   2.122% *  0.0565% (0.04   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    ILE   56  18.00 +/- 1.21   0.071% *  1.3025% (0.90   0.02   0.02) =   0.007%
          HG    LEU   80 - HZ2   TRP   87   8.54 +/- 1.03   5.372% *  0.0140% (0.01   0.02   0.02) =   0.005%
          HG    LEU   67 - HN    ILE   56  18.76 +/- 1.58   0.052% *  1.2131% (0.84   0.02   0.02) =   0.005%
          HG    LEU   40 - HN    ILE   56  20.32 +/- 1.25   0.026% *  1.3407% (0.92   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ILE   56  18.72 +/- 1.07   0.044% *  0.7641% (0.53   0.02   0.02) =   0.002%
          HG    LEU   40 - HZ2   TRP   87  13.41 +/- 1.46   0.342% *  0.0582% (0.04   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HZ2   TRP   87  13.83 +/- 1.78   0.273% *  0.0608% (0.04   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ILE   56  19.38 +/- 1.40   0.038% *  0.3233% (0.22   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ILE   56  19.95 +/- 1.74   0.046% *  0.2241% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ILE   56  26.93 +/- 2.03   0.006% *  1.4016% (0.97   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE   56  21.07 +/- 1.19   0.022% *  0.2874% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  115 - HZ2   TRP   87  18.52 +/- 1.19   0.055% *  0.0582% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  14.49 +/- 0.76   0.189% *  0.0125% (0.01   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  19.05 +/- 1.00   0.037% *  0.0526% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  16.91 +/- 0.83   0.079% *  0.0237% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  18.60 +/- 1.45   0.050% *  0.0332% (0.02   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  16.25 +/- 0.55   0.109% *  0.0125% (0.01   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  20.61 +/- 1.08   0.028% *  0.0458% (0.03   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  15.79 +/- 1.22   0.109% *  0.0097% (0.01   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  19.61 +/- 1.67   0.037% *  0.0237% (0.02   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  19.55 +/- 1.09   0.032% *  0.0237% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 7 structures by 0.82 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.69, residual support = 124.1:
          QG2   ILE   56 - HN    ILE   56   2.70 +/- 0.49  99.768% * 98.4633% (1.00   6.69 124.14) = 100.000%  kept
          QB    ALA   91 - HN    ILE   56  10.87 +/- 0.94   0.036% *  0.2137% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  11.62 +/- 1.37   0.026% *  0.0582% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87   9.40 +/- 0.43   0.080% *  0.0121% (0.04   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  11.45 +/- 0.74   0.031% *  0.0083% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  19.32 +/- 1.48   0.001% *  0.1904% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  20.31 +/- 1.17   0.001% *  0.2784% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  20.09 +/- 1.23   0.001% *  0.2137% (0.73   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  19.54 +/- 1.69   0.001% *  0.1105% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  13.47 +/- 0.66   0.011% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  13.51 +/- 0.83   0.009% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  15.75 +/- 2.58   0.004% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  13.02 +/- 0.77   0.012% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  21.69 +/- 1.82   0.000% *  0.0515% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  17.87 +/- 1.10   0.002% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  13.42 +/- 1.18   0.010% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  30.49 +/- 1.43   0.000% *  0.2784% (0.95   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  16.15 +/- 1.17   0.004% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  25.44 +/- 1.09   0.000% *  0.0655% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  15.56 +/- 1.12   0.004% *  0.0028% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.06 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.912, support = 5.39, residual support = 57.9:
          HB3   CYS   53 - HN    ARG+  54   3.74 +/- 0.28  51.911% * 35.6520% (0.94   5.36  32.28) =  62.559%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.70 +/- 0.34  14.523% * 45.5619% (0.95   6.79 166.11) =  22.367%  kept
          QB    PHE   55 - HN    ARG+  54   4.24 +/- 0.15  24.277% * 18.3512% (0.76   3.42   3.53) =  15.060%  kept
          HD3   PRO   93 - HN    ARG+  54   6.97 +/- 1.43   2.716% *  0.1203% (0.85   0.02   0.02) =   0.011%
          HB2   PHE   59 - HN    ASP-  62   5.35 +/- 0.25   6.115% *  0.0132% (0.09   0.02   6.52) =   0.003%
          HB2   PHE   59 - HN    ARG+  54   9.93 +/- 1.04   0.179% *  0.0706% (0.50   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62  10.99 +/- 0.99   0.096% *  0.0218% (0.15   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASP-  62  11.05 +/- 0.73   0.085% *  0.0201% (0.14   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  12.61 +/- 1.65   0.051% *  0.0249% (0.18   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  13.77 +/- 1.95   0.031% *  0.0251% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  14.66 +/- 1.10   0.016% *  0.0225% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  23.27 +/- 1.15   0.001% *  0.1164% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 6.38, residual support = 166.1:
      O   HB2   ARG+  54 - HN    ARG+  54   2.71 +/- 0.61  99.474% * 96.9633% (0.26  10.0   6.38 166.11) = 100.000%  kept
          HB    ILE  119 - HN    ASP-  62   8.39 +/- 0.88   0.285% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62   9.94 +/- 0.71   0.085% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  14.12 +/- 1.02   0.009% *  0.2793% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  12.33 +/- 1.01   0.024% *  0.0647% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  16.24 +/- 0.85   0.004% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  15.35 +/- 1.91   0.007% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  14.21 +/- 0.98   0.010% *  0.0776% (0.21   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  13.42 +/- 0.90   0.013% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  18.74 +/- 1.27   0.002% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  13.20 +/- 1.15   0.020% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.85 +/- 1.29   0.006% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.74 +/- 0.89   0.014% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  13.13 +/- 0.44   0.015% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.48 +/- 1.20   0.019% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  23.68 +/- 1.69   0.001% *  0.3025% (0.82   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  22.54 +/- 1.16   0.001% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  24.56 +/- 1.26   0.000% *  0.3457% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  18.60 +/- 1.23   0.002% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  23.09 +/- 1.45   0.001% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  17.75 +/- 0.95   0.003% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  19.48 +/- 1.32   0.002% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  17.30 +/- 1.36   0.004% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  26.22 +/- 1.51   0.000% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  23.44 +/- 1.33   0.001% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  30.96 +/- 1.29   0.000% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  24.69 +/- 1.28   0.000% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  25.39 +/- 0.63   0.000% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.07 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.929, support = 6.3, residual support = 164.0:
          HG2   ARG+  54 - HN    ARG+  54   3.45 +/- 0.36  90.169% * 83.6616% (0.94   6.34 166.11) =  98.715%  kept
          HB3   PRO   52 - HN    ARG+  54   5.39 +/- 0.25   7.131% * 13.7290% (0.29   3.34   1.76) =   1.281%  kept
          HB    ILE   56 - HN    ARG+  54   7.03 +/- 0.81   1.753% *  0.1296% (0.46   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    ASP-  62   8.91 +/- 1.37   0.618% *  0.0242% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ARG+  54  14.68 +/- 1.19   0.020% *  0.2569% (0.91   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  12.78 +/- 1.58   0.057% *  0.0494% (0.18   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  15.85 +/- 0.99   0.012% *  0.2387% (0.85   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  12.77 +/- 0.97   0.046% *  0.0481% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  17.05 +/- 1.12   0.008% *  0.2457% (0.87   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  11.29 +/- 1.55   0.111% *  0.0154% (0.05   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  14.54 +/- 1.14   0.020% *  0.0497% (0.18   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  14.54 +/- 0.78   0.019% *  0.0447% (0.16   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  20.08 +/- 0.79   0.003% *  0.2656% (0.94   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.27 +/- 1.24   0.001% *  0.2609% (0.93   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  25.00 +/- 1.21   0.001% *  0.2569% (0.91   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  16.06 +/- 1.31   0.012% *  0.0154% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  21.12 +/- 1.54   0.002% *  0.0822% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  25.14 +/- 1.35   0.001% *  0.2638% (0.94   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  19.02 +/- 0.97   0.004% *  0.0494% (0.18   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.73 +/- 2.10   0.003% *  0.0488% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  21.68 +/- 1.21   0.002% *  0.0481% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  22.98 +/- 1.43   0.001% *  0.0527% (0.19   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  22.27 +/- 0.55   0.001% *  0.0460% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  18.42 +/- 0.66   0.004% *  0.0099% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  22.76 +/- 0.86   0.001% *  0.0170% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  31.82 +/- 1.04   0.000% *  0.0908% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.10 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.163, support = 2.79, residual support = 8.34:
          QB    ALA   61 - HN    ASP-  62   2.84 +/- 0.18  98.031% * 72.1179% (0.16   2.79   8.35) =  99.964%  kept
          QB    ALA  110 - HN    ARG+  54   8.05 +/- 2.63   0.641% *  2.9948% (0.95   0.02   0.02) =   0.027%
          QG    LYS+  66 - HN    ASP-  62   6.57 +/- 1.06   1.126% *  0.3399% (0.11   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    ARG+  54  10.28 +/- 0.85   0.051% *  2.7645% (0.87   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ASP-  62  10.21 +/- 0.78   0.059% *  0.4487% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  13.63 +/- 1.31   0.014% *  1.4577% (0.46   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  12.74 +/- 2.21   0.018% *  0.5604% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  11.81 +/- 0.71   0.023% *  0.2728% (0.09   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  18.46 +/- 1.33   0.002% *  2.9882% (0.94   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.08 +/- 1.01   0.008% *  0.5554% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  18.07 +/- 1.81   0.002% *  2.0572% (0.65   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  17.47 +/- 1.24   0.002% *  1.8164% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  20.98 +/- 1.55   0.001% *  2.9683% (0.94   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  13.67 +/- 0.80   0.010% *  0.2304% (0.07   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  15.21 +/- 1.59   0.006% *  0.2948% (0.09   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  19.25 +/- 0.99   0.001% *  1.2312% (0.39   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  21.66 +/- 1.07   0.001% *  2.3980% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  21.68 +/- 1.26   0.001% *  1.5756% (0.50   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  20.16 +/- 1.18   0.001% *  0.5591% (0.18   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  21.33 +/- 0.98   0.001% *  0.7468% (0.24   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.61 +/- 1.16   0.003% *  0.1397% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  20.39 +/- 1.30   0.001% *  0.3849% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.92 +/- 2.83   0.001% *  0.1730% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  29.16 +/- 1.85   0.000% *  0.9243% (0.29   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.453, support = 2.91, residual support = 11.0:
      O   HA2   GLY   51 - HN    GLY   51   2.70 +/- 0.18  37.575% * 83.6612% (0.49  10.0   2.21  10.11) =  76.798%  kept
          HD2   PRO   52 - HN    GLY   51   2.44 +/- 0.37  62.320% * 15.2389% (0.34   1.0   5.20  13.98) =  23.201%  kept
          QB    SER   48 - HN    GLY   51   7.15 +/- 0.79   0.101% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLY   51  13.18 +/- 1.33   0.003% *  0.1112% (0.65   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  17.88 +/- 1.38   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  22.58 +/- 0.99   0.000% *  0.1587% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  18.31 +/- 1.87   0.000% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  19.35 +/- 1.57   0.000% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  24.22 +/- 1.17   0.000% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  25.77 +/- 1.24   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  26.16 +/- 1.41   0.000% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  31.17 +/- 1.14   0.000% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.2, residual support = 7.24:
      O   QB    CYS   50 - HN    CYS   50   2.92 +/- 0.18  99.748% * 99.5120% (0.69  10.0   1.20   7.24) = 100.000%  kept
          HB3   ASP-  78 - HN    CYS   50   9.12 +/- 1.17   0.160% *  0.2013% (0.84   1.0   0.02   0.02) =   0.000%
          QE    LYS+  74 - HN    CYS   50  10.00 +/- 1.34   0.091% *  0.1750% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  24.43 +/- 0.96   0.000% *  0.0372% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  29.37 +/- 1.01   0.000% *  0.0744% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.05, residual support = 6.76:
          QB    ALA   47 - HN    CYS   50   2.34 +/- 0.67  99.727% * 97.7265% (0.57   2.05   6.76) =  99.999%  kept
          HG2   LYS+ 112 - HN    CYS   50  15.53 +/- 2.76   0.266% *  0.2950% (0.18   0.02   0.02) =   0.001%
          QB    ALA   64 - HN    CYS   50  15.41 +/- 1.05   0.003% *  1.2232% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  15.08 +/- 0.66   0.004% *  0.7552% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.31, support = 3.51, residual support = 14.6:
      O   HA    SER   48 - HN    TRP   49   3.54 +/- 0.07  36.623% * 70.3861% (0.22  10.0   3.25  14.64) =  61.226%  kept
          QB    SER   48 - HN    TRP   49   3.25 +/- 0.46  58.837% * 27.7308% (0.45   1.0   3.91  14.64) =  38.754%  kept
          HD2   PRO   52 - HN    TRP   49   5.49 +/- 0.76   3.870% *  0.2045% (0.65   1.0   0.02   3.49) =   0.019%
          HA2   GLY   51 - HN    TRP   49   7.04 +/- 0.66   0.633% *  0.0704% (0.22   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    TRP   49  12.14 +/- 0.78   0.024% *  0.1078% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    TRP   49  14.78 +/- 1.19   0.007% *  0.3051% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  15.73 +/- 1.58   0.005% *  0.1300% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  23.67 +/- 0.99   0.000% *  0.3134% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  26.11 +/- 1.00   0.000% *  0.3051% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  26.22 +/- 1.18   0.000% *  0.2172% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  28.95 +/- 0.67   0.000% *  0.1417% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  27.62 +/- 1.39   0.000% *  0.0879% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 74.6:
      O   HB3   TRP   49 - HN    TRP   49   3.45 +/- 0.28  99.990% * 99.8958% (0.80  10.0   3.99  74.62) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.47 +/- 1.02   0.010% *  0.1042% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.415, support = 2.51, residual support = 9.36:
      O   QB    SER   48 - HN    SER   48   2.31 +/- 0.19  73.779% * 66.2308% (0.45  10.0   2.49   9.36) =  85.094%  kept
      O   HA    SER   48 - HN    SER   48   2.77 +/- 0.05  26.025% * 32.8893% (0.22  10.0   2.61   9.36) =  14.906%  kept
          HD2   PRO   52 - HN    SER   48   6.99 +/- 0.67   0.149% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   8.96 +/- 0.77   0.033% *  0.0329% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  10.87 +/- 0.98   0.008% *  0.0504% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  13.23 +/- 1.41   0.003% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  14.28 +/- 1.97   0.002% *  0.0607% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  22.80 +/- 1.31   0.000% *  0.1464% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  24.89 +/- 1.15   0.000% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  25.75 +/- 1.09   0.000% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  26.73 +/- 0.70   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  26.90 +/- 1.27   0.000% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.28:
          QB    ALA   47 - HN    SER   48   2.85 +/- 0.29  99.983% * 99.1204% (0.90   4.08   6.28) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.67 +/- 0.61   0.008% *  0.4336% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  15.63 +/- 0.98   0.006% *  0.2032% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  18.10 +/- 2.62   0.004% *  0.2428% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.829, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47   9.68 +/- 1.08  90.315% * 52.2208% (0.84   0.02   0.02) =  91.065%  kept
          HB2   TRP   87 - HN    ALA   47  14.46 +/- 0.74   9.685% * 47.7792% (0.76   0.02   0.02) =   8.935%  kept
    Distance limit 4.12 A violated in 20 structures by 5.38 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.966, support = 1.27, residual support = 6.19:
          QB    CYS   50 - HN    ALA   47   4.01 +/- 1.03  85.142% * 62.5032% (0.97   1.32   6.76) =  91.559%  kept
          QE    LYS+  74 - HN    ALA   47   6.80 +/- 1.24  13.549% * 36.1625% (0.98   0.75   0.02) =   8.430%  kept
          HB3   ASP-  78 - HN    ALA   47   8.87 +/- 1.20   1.265% *  0.4789% (0.49   0.02   0.75) =   0.010%
          HB2   PHE   72 - HN    ALA   47  15.09 +/- 1.16   0.041% *  0.2190% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  25.77 +/- 1.15   0.002% *  0.6364% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 3 structures by 0.26 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   3.24 +/- 0.59  99.786% * 97.5710% (0.97   3.21  12.67) =  99.999%  kept
          QG2   VAL   18 - HN    ALA   47  10.57 +/- 0.99   0.144% *  0.5656% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    ALA   47  12.47 +/- 0.35   0.048% *  0.4332% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ALA   47  15.02 +/- 0.89   0.014% *  0.5965% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  17.79 +/- 0.37   0.005% *  0.3070% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  20.05 +/- 0.94   0.002% *  0.5267% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.96 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   2.44 +/- 0.12  99.977% * 99.7622% (0.57  10.0   2.36  11.01) = 100.000%  kept
          QB    ALA   64 - HN    ALA   47  12.67 +/- 0.92   0.006% *  0.1280% (0.73   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    ALA   47  11.92 +/- 0.44   0.008% *  0.0790% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  14.55 +/- 2.39   0.009% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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   3.30 +/- 0.42  99.670% * 99.3656% (0.25  10.0   3.25  34.51) = 100.000%  kept
          HB2   HIS   22 - HN    THR   46   9.11 +/- 0.95   0.312% *  0.1359% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HN    THR   46  15.29 +/- 1.30   0.015% *  0.3045% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  19.55 +/- 1.32   0.003% *  0.1940% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 3.59, residual support = 11.9:
          QG2   THR   77 - HN    THR   46   3.27 +/- 0.31  96.112% * 80.5633% (0.61   3.60  11.96) =  99.291%  kept
          HB3   ASP-  44 - HN    THR   46   5.87 +/- 0.46   3.461% * 15.9356% (0.22   1.94   0.02) =   0.707%  kept
          HB3   LEU   80 - HN    THR   46   9.04 +/- 1.28   0.310% *  0.3036% (0.41   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    THR   46  11.27 +/- 0.74   0.072% *  0.6986% (0.95   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    THR   46  13.21 +/- 1.37   0.032% *  0.2279% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  17.35 +/- 1.23   0.005% *  0.4778% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  17.13 +/- 0.63   0.005% *  0.4181% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  21.89 +/- 0.67   0.001% *  0.6623% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  25.71 +/- 0.49   0.000% *  0.7127% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.58 +/- 1.00  60.554% * 32.0586% (0.99   0.02   0.02) =  67.645%  kept
          QD1   ILE  119 - HN    THR   46  11.95 +/- 0.68  30.387% * 25.8997% (0.80   0.02   0.02) =  27.424%  kept
          HB2   LEU  104 - HN    THR   46  18.28 +/- 0.87   2.314% * 32.0586% (0.99   0.02   0.02) =   2.585%  kept
          HG3   LYS+ 112 - HN    THR   46  15.98 +/- 2.13   6.745% *  9.9831% (0.31   0.02   0.02) =   2.346%  kept
    Distance limit 4.55 A violated in 20 structures by 5.11 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   2.59 +/- 0.34  99.694% * 97.4005% (0.97   3.39  34.51) =  99.999%  kept
          QG2   VAL   18 - HN    THR   46   8.98 +/- 1.12   0.097% *  0.5947% (1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    THR   46   9.10 +/- 0.38   0.071% *  0.5638% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46   9.31 +/- 1.37   0.117% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  12.40 +/- 0.82   0.011% *  0.4094% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  14.46 +/- 0.40   0.004% *  0.4773% (0.80   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  14.90 +/- 0.67   0.004% *  0.1486% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  17.48 +/- 0.96   0.001% *  0.3136% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.66, residual support = 1.96:
          QG1   VAL   75 - HN    THR   46   4.12 +/- 0.38  99.210% * 99.0129% (0.92   1.66   1.96) =  99.992%  kept
          QD1   LEU  115 - HN    THR   46  10.49 +/- 1.60   0.790% *  0.9871% (0.76   0.02   0.02) =   0.008%
    Distance limit 4.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.0:
          HB    THR   94 - HN    PHE   45   3.99 +/- 0.26  99.152% * 94.1909% (0.65   3.30  27.03) =  99.996%  kept
          QB    SER   48 - HN    PHE   45  11.38 +/- 0.46   0.205% *  0.6747% (0.76   0.02   0.02) =   0.001%
          QB    SER   85 - HN    PHE   45  12.73 +/- 0.55   0.104% *  0.8520% (0.97   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    PHE   45  11.60 +/- 1.13   0.203% *  0.3012% (0.34   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    PHE   45  14.21 +/- 0.58   0.053% *  0.4297% (0.49   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    PHE   45  12.13 +/- 0.63   0.142% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    PHE   45  15.98 +/- 0.98   0.027% *  0.8150% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    PHE   45  17.09 +/- 0.73   0.017% *  0.8352% (0.95   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  13.86 +/- 0.96   0.060% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  18.10 +/- 0.95   0.013% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  17.34 +/- 0.97   0.016% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  19.17 +/- 0.56   0.009% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.68, residual support = 80.4:
      O   HB2   PHE   45 - HN    PHE   45   2.54 +/- 0.26  99.972% * 99.8561% (0.99  10.0   3.68  80.43) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45  10.70 +/- 0.94   0.024% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  14.46 +/- 0.73   0.004% *  0.0988% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.01, residual support = 80.4:
      O   HB3   PHE   45 - HN    PHE   45   3.57 +/- 0.27  98.799% * 99.6079% (0.87  10.0   4.01  80.43) =  99.999%  kept
          HB    VAL  107 - HN    PHE   45   7.92 +/- 0.73   1.018% *  0.0515% (0.45   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    PHE   45  12.99 +/- 1.75   0.062% *  0.0996% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  12.33 +/- 0.65   0.066% *  0.0919% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  12.99 +/- 1.08   0.051% *  0.0431% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  19.22 +/- 0.54   0.004% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.483, support = 4.07, residual support = 18.9:
          HB3   ASP-  44 - HN    PHE   45   3.30 +/- 0.19  92.098% * 68.1841% (0.49   4.10  19.16) =  97.903%  kept
          QG2   THR   77 - HN    PHE   45   5.56 +/- 0.45   4.919% * 27.2447% (0.31   2.58   8.43) =   2.089%  kept
          HB3   PRO   93 - HN    PHE   45   6.63 +/- 0.75   2.003% *  0.1054% (0.15   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    PHE   45   8.16 +/- 0.66   0.510% *  0.1196% (0.18   0.02   0.85) =   0.001%
          HB3   LEU   80 - HN    PHE   45  10.67 +/- 1.29   0.122% *  0.4960% (0.73   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    PHE   45  10.26 +/- 1.41   0.143% *  0.4143% (0.61   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    PHE   45  10.30 +/- 0.65   0.110% *  0.4692% (0.69   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    PHE   45  11.36 +/- 1.07   0.064% *  0.1703% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   45  14.70 +/- 1.37   0.014% *  0.6305% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   45  15.40 +/- 0.59   0.009% *  0.5925% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   45  18.08 +/- 0.69   0.004% *  0.6815% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  22.74 +/- 0.44   0.001% *  0.6591% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  19.52 +/- 1.06   0.003% *  0.2330% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.812, support = 1.05, residual support = 10.6:
          QD1   ILE   89 - HN    PHE   45   4.43 +/- 0.67  92.755% * 49.9097% (0.80   1.06  11.12) =  93.584%  kept
          QG2   VAL   83 - HN    PHE   45   7.23 +/- 0.58   6.447% * 49.1117% (0.98   0.86   2.54) =   6.400%  kept
          QD2   LEU   31 - HN    PHE   45  10.36 +/- 0.56   0.798% *  0.9786% (0.84   0.02   0.02) =   0.016%
    Distance limit 4.26 A violated in 2 structures by 0.26 A, kept.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 12.5:
          HB3   PHE   45 - HN    THR   46   3.12 +/- 0.32  99.901% * 98.4423% (1.00   4.10  12.49) = 100.000%  kept
          HB    VAL  107 - HN    THR   46  11.93 +/- 0.86   0.045% *  0.3852% (0.80   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  14.39 +/- 1.95   0.016% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  13.13 +/- 0.68   0.023% *  0.2157% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  15.10 +/- 0.88   0.011% *  0.0651% (0.14   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  19.41 +/- 0.59   0.002% *  0.2918% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  19.75 +/- 1.07   0.002% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 8.16:
          HN    CYS   50 - HN    CYS   53   4.70 +/- 0.63  99.963% * 77.1198% (0.87  1.00   0.75   8.16) =  99.989%  kept
        T HN    VAL   83 - HN    CYS   53  18.30 +/- 0.69   0.037% * 22.8802% (0.97 10.00   0.02   0.02) =   0.011%
    Distance limit 4.67 A violated in 0 structures by 0.27 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.18, residual support = 54.1:
      O   HA    PRO   52 - HN    CYS   53   3.48 +/- 0.02  99.925% * 99.8358% (0.61  10.0   7.18  54.10) = 100.000%  kept
          HA    LYS+ 111 - HN    CYS   53  11.82 +/- 0.93   0.075% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 44.1:
      O   HA    CYS   53 - HN    CYS   53   2.78 +/- 0.04  99.996% * 99.7036% (0.90  10.0   4.78  44.12) = 100.000%  kept
          HA    GLU- 114 - HN    CYS   53  16.45 +/- 1.42   0.003% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  18.96 +/- 1.03   0.001% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  24.32 +/- 0.73   0.000% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  24.91 +/- 0.67   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  28.40 +/- 1.87   0.000% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  27.21 +/- 0.96   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 53.7:
          HD2   PRO   52 - HN    CYS   53   2.27 +/- 0.02  98.632% * 60.8496% (0.34   8.20  54.10) =  99.212%  kept
          HA2   GLY   51 - HN    CYS   53   4.68 +/- 0.16   1.310% * 36.3655% (0.49   3.43   0.02) =   0.787%  kept
          QB    SER   48 - HN    CYS   53   8.52 +/- 0.74   0.043% *  0.3326% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53  10.41 +/- 0.92   0.012% *  0.2815% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  17.06 +/- 0.99   0.001% *  0.4200% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  16.18 +/- 1.51   0.001% *  0.1085% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  20.30 +/- 0.80   0.000% *  0.4018% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  20.80 +/- 1.30   0.000% *  0.4117% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  16.75 +/- 1.38   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  23.75 +/- 1.02   0.000% *  0.4200% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  22.60 +/- 1.48   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  29.09 +/- 0.97   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.968, support = 4.95, residual support = 44.4:
      O   HB2   CYS   53 - HN    CYS   53   2.67 +/- 0.37  84.925% * 84.8570% (0.98  10.0   4.92  44.12) =  96.990%  kept
          HD3   PRO   52 - HN    CYS   53   3.67 +/- 0.02  14.972% * 14.9364% (0.57   1.0   6.09  54.10) =   3.010%  kept
          HD2   PRO   58 - HN    CYS   53   8.97 +/- 1.02   0.102% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    CYS   53  18.90 +/- 0.73   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  24.97 +/- 0.96   0.000% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.72 +/- 1.23   0.000% *  0.0455% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.961, support = 5.77, residual support = 43.9:
      O   HB3   CYS   53 - HN    CYS   53   2.57 +/- 0.56  89.235% * 94.9762% (0.97  10.0   5.79  44.12) =  99.584%  kept
          HD3   PRO   93 - HN    CYS   53   5.27 +/- 1.61   7.520% *  4.6652% (1.00   1.0   0.95   0.02) =   0.412%
          QB    PHE   55 - HN    CYS   53   4.92 +/- 0.22   2.855% *  0.0950% (0.97   1.0   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    CYS   53   7.04 +/- 0.50   0.340% *  0.0908% (0.92   1.0   0.02  32.28) =   0.000%
          HB2   PHE   59 - HN    CYS   53  10.57 +/- 1.35   0.050% *  0.0752% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  23.89 +/- 0.89   0.000% *  0.0975% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 8.16:
          QB    CYS   50 - HN    CYS   53   4.14 +/- 0.77  98.964% * 98.0456% (0.69   2.96   8.16) =  99.992%  kept
          QE    LYS+  74 - HN    CYS   53   9.71 +/- 0.98   0.860% *  0.7010% (0.73   0.02   0.02) =   0.006%
          HB3   ASP-  78 - HN    CYS   53  12.97 +/- 1.27   0.167% *  0.8064% (0.84   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    CYS   53  21.41 +/- 1.12   0.008% *  0.1490% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  27.54 +/- 0.67   0.002% *  0.2980% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.2, residual support = 54.1:
          HG2   PRO   52 - HN    CYS   53   3.18 +/- 0.55  95.131% * 94.9826% (0.25   7.21  54.10) =  99.958%  kept
          HG2   MET   92 - HN    CYS   53   6.77 +/- 1.54   4.570% *  0.8079% (0.76   0.02   0.02) =   0.041%
          QG    GLU- 114 - HN    CYS   53  12.86 +/- 1.43   0.045% *  0.7262% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   53  11.48 +/- 1.68   0.185% *  0.1431% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   53  12.33 +/- 1.04   0.050% *  0.2636% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    CYS   53  15.36 +/- 0.99   0.011% *  0.6412% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  17.30 +/- 0.88   0.005% *  0.1851% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  22.84 +/- 1.09   0.001% *  0.3606% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  24.15 +/- 1.72   0.001% *  0.2354% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  32.91 +/- 1.64   0.000% *  0.8465% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  33.00 +/- 1.35   0.000% *  0.8079% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 0.964, support = 7.13, residual support = 53.6:
          HG3   PRO   52 - HN    CYS   53   3.80 +/- 0.54  74.112% * 90.6422% (0.98   7.21  54.10) =  97.942%  kept
          HB2   ARG+  54 - HN    CYS   53   5.12 +/- 0.68  16.723% *  8.3820% (0.18   3.73  32.28) =   2.044%  kept
          HB2   PRO   93 - HN    CYS   53   6.83 +/- 1.94   8.906% *  0.1055% (0.41   0.02   0.02) =   0.014%
          HG2   PRO   58 - HN    CYS   53  10.92 +/- 1.09   0.207% *  0.2516% (0.98   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYS   53  13.80 +/- 1.91   0.050% *  0.0347% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  27.18 +/- 1.70   0.001% *  0.2561% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  26.26 +/- 0.92   0.001% *  0.0714% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  37.13 +/- 2.29   0.000% *  0.2566% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.656, support = 7.34, residual support = 53.3:
      O   HB3   PRO   52 - HN    CYS   53   3.92 +/- 0.45  84.912% * 77.7522% (0.65  10.0   7.47  54.10) =  96.388%  kept
          HG2   ARG+  54 - HN    CYS   53   5.68 +/- 0.52  11.542% * 21.4269% (0.90   1.0   3.98  32.28) =   3.611%  kept
          HB    ILE   56 - HN    CYS   53   7.50 +/- 1.15   3.314% *  0.0238% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    CYS   53  12.49 +/- 1.42   0.138% *  0.0826% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  14.73 +/- 1.06   0.042% *  0.0680% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  15.47 +/- 0.97   0.028% *  0.0729% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  19.43 +/- 1.07   0.007% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  23.08 +/- 1.33   0.003% *  0.1110% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  21.72 +/- 1.74   0.004% *  0.0778% (0.65   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  22.03 +/- 1.42   0.004% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  25.65 +/- 1.04   0.001% *  0.1137% (0.95   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  24.79 +/- 0.98   0.002% *  0.0919% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  22.13 +/- 1.07   0.003% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.83, residual support = 45.3:
        T HN    GLN   32 - HN    LEU   31   2.65 +/- 0.13  96.749% * 99.2679% (0.78 10.00   5.83  45.30) =  99.999%  kept
          HN    ALA   34 - HN    LEU   31   4.73 +/- 0.22   3.206% *  0.0183% (0.14  1.00   0.02   4.76) =   0.001%
          HN    THR   94 - HN    PHE   55   9.96 +/- 0.61   0.042% *  0.0145% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  16.07 +/- 0.59   0.002% *  0.1186% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  17.72 +/- 0.63   0.001% *  0.0296% (0.23  1.00   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  28.40 +/- 1.49   0.000% *  0.4843% (0.38 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  20.64 +/- 0.96   0.000% *  0.0578% (0.45  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  27.67 +/- 1.44   0.000% *  0.0089% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 7.03, residual support = 51.6:
        T HN    GLN   30 - HN    LEU   31   2.47 +/- 0.07  96.921% * 79.2735% (0.53 10.00   7.07  51.98) =  99.203%  kept
          HN    GLU-  29 - HN    LEU   31   4.40 +/- 0.17   3.073% * 20.0802% (0.91  1.00   2.93   0.02) =   0.797%  kept
          HN    ASP-  86 - HN    LEU   31  14.57 +/- 0.60   0.002% *  0.0906% (0.60  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  15.86 +/- 0.81   0.002% *  0.0389% (0.26  1.00   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  25.69 +/- 1.58   0.000% *  0.3867% (0.26 10.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  17.29 +/- 1.38   0.001% *  0.0190% (0.13  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  21.55 +/- 0.90   0.000% *  0.0442% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.09 +/- 1.55   0.000% *  0.0670% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 3.26, residual support = 20.5:
      O   HA    PHE   55 - HN    PHE   55   2.79 +/- 0.06  96.350% * 99.0930% (0.48  10.0   3.26  20.49) =  99.999%  kept
          HA    TRP   27 - HN    LEU   31   4.93 +/- 0.24   3.304% *  0.0276% (0.13   1.0   0.02  16.52) =   0.001%
          HA    ALA  110 - HN    PHE   55   8.95 +/- 2.76   0.307% *  0.1465% (0.71   1.0   0.02   0.16) =   0.000%
          HA    ALA   91 - HN    PHE   55  11.44 +/- 1.17   0.024% *  0.0672% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  14.37 +/- 1.40   0.006% *  0.1308% (0.64   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  14.20 +/- 0.87   0.006% *  0.0925% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  19.40 +/- 0.85   0.001% *  0.0991% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.42 +/- 0.65   0.001% *  0.0701% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  24.05 +/- 1.47   0.000% *  0.1110% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  22.45 +/- 0.63   0.000% *  0.0509% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.27 +/- 1.54   0.000% *  0.0364% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  27.21 +/- 2.21   0.000% *  0.0751% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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   2.06 +/- 0.07  99.113% * 99.1124% (0.79  10.0   2.90  20.49) =  99.999%  kept
          HD2   ARG+  54 - HN    PHE   55   5.32 +/- 0.28   0.353% *  0.0867% (0.69   1.0   0.02   3.53) =   0.000%
          HB3   CYS   53 - HN    PHE   55   5.37 +/- 0.17   0.331% *  0.0923% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   55   6.84 +/- 1.50   0.178% *  0.0998% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   8.66 +/- 0.98   0.024% *  0.0835% (0.66   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  19.08 +/- 0.86   0.000% *  0.0757% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  22.49 +/- 1.24   0.000% *  0.1000% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  21.36 +/- 1.48   0.000% *  0.0633% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  22.31 +/- 1.24   0.000% *  0.0699% (0.56   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  23.23 +/- 0.72   0.000% *  0.0756% (0.60   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.66 +/- 1.34   0.000% *  0.0751% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  27.80 +/- 2.57   0.000% *  0.0657% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 0.35, support = 3.5, residual support = 9.2:
      O   HA    ARG+  54 - HN    PHE   55   3.53 +/- 0.04  35.269% * 70.7509% (0.25  10.0   3.33   3.53) =  59.293%  kept
          HA    ASN   28 - HN    LEU   31   3.20 +/- 0.08  63.130% * 27.1324% (0.50   1.0   3.74  17.46) =  40.701%  kept
          HA    THR   26 - HN    LEU   31   6.43 +/- 0.36   1.018% *  0.1123% (0.39   1.0   0.02   0.02) =   0.003%
          HA    ALA   34 - HN    LEU   31   7.27 +/- 0.26   0.469% *  0.1676% (0.58   1.0   0.02   4.76) =   0.002%
          HA1   GLY  101 - HN    LEU   31  11.92 +/- 2.95   0.073% *  0.1733% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    PHE   55  11.84 +/- 1.08   0.031% *  0.1988% (0.69   1.0   0.02   4.38) =   0.000%
          HA    GLU- 114 - HN    PHE   55  15.03 +/- 0.86   0.006% *  0.2168% (0.75   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  21.79 +/- 0.89   0.001% *  0.1506% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  25.53 +/- 1.34   0.000% *  0.1915% (0.66   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  25.29 +/- 0.86   0.000% *  0.1643% (0.57   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  26.27 +/- 1.73   0.000% *  0.1483% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  27.82 +/- 1.35   0.000% *  0.2212% (0.77   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  29.22 +/- 1.88   0.000% *  0.2287% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  24.57 +/- 2.19   0.000% *  0.0536% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  25.67 +/- 0.83   0.000% *  0.0510% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  26.08 +/- 3.19   0.000% *  0.0387% (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 988 (3.63, 7.85, 118.81 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 7.15, residual support = 232.8:
      O   HA    LEU   31 - HN    LEU   31   2.80 +/- 0.04 100.000% * 99.9512% (0.60  10.0   7.15 232.78) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  25.84 +/- 1.40   0.000% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.483, support = 5.66, residual support = 41.4:
          HB2   GLN   30 - HN    LEU   31   3.56 +/- 0.30  47.519% * 34.1787% (0.48   6.09  51.98) =  59.432%  kept
          HB2   ARG+  54 - HN    PHE   55   3.65 +/- 0.25  40.446% * 14.7015% (0.39   3.27   3.53) =  21.759%  kept
          HG3   GLN   30 - HN    LEU   31   4.83 +/- 0.54  10.480% * 49.0392% (0.60   7.06  51.98) =  18.806%  kept
          HB2   PRO   93 - HN    PHE   55   7.53 +/- 1.82   1.317% *  0.0412% (0.18   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    LEU   31   9.72 +/- 0.64   0.112% *  0.0432% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    PHE   55  12.28 +/- 1.36   0.041% *  0.1047% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  12.39 +/- 1.15   0.029% *  0.1215% (0.52   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  14.64 +/- 0.87   0.010% *  0.1481% (0.64   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  13.24 +/- 1.60   0.020% *  0.0682% (0.29   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  14.84 +/- 1.96   0.011% *  0.1047% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  16.80 +/- 0.90   0.004% *  0.0682% (0.29   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  19.57 +/- 1.24   0.002% *  0.1215% (0.52   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  19.15 +/- 1.51   0.002% *  0.0900% (0.39   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  20.01 +/- 1.11   0.002% *  0.0793% (0.34   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  22.38 +/- 1.72   0.001% *  0.1122% (0.48   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  24.58 +/- 1.94   0.000% *  0.1833% (0.79   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  23.83 +/- 1.66   0.001% *  0.1481% (0.64   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  23.94 +/- 1.28   0.001% *  0.1604% (0.69   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  22.70 +/- 1.26   0.001% *  0.0900% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  20.78 +/- 0.80   0.001% *  0.0312% (0.13   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  26.58 +/- 2.18   0.000% *  0.0682% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  26.76 +/- 1.35   0.000% *  0.0793% (0.34   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  30.74 +/- 1.34   0.000% *  0.1604% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.76 +/- 1.73   0.000% *  0.0571% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 7.15, residual support = 232.8:
      O   HB2   LEU   31 - HN    LEU   31   2.55 +/- 0.13  99.595% * 98.5368% (0.78  10.0   7.15 232.78) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   7.12 +/- 0.90   0.291% *  0.0418% (0.33   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31   9.89 +/- 1.54   0.052% *  0.1023% (0.81   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  12.10 +/- 0.56   0.010% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  11.84 +/- 1.03   0.013% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  14.37 +/- 0.66   0.004% *  0.1177% (0.93   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  13.81 +/- 0.51   0.004% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.51 +/- 0.53   0.007% *  0.0443% (0.35   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  13.35 +/- 0.59   0.005% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  13.23 +/- 1.63   0.007% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.82 +/- 0.90   0.005% *  0.0570% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  14.65 +/- 0.85   0.003% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  18.07 +/- 1.17   0.001% *  0.1169% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  22.18 +/- 3.24   0.000% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  16.82 +/- 0.67   0.001% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  20.94 +/- 0.97   0.000% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.11 +/- 1.68   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  21.66 +/- 1.08   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.09 +/- 1.56   0.000% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  27.13 +/- 1.78   0.000% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  19.45 +/- 0.86   0.001% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  26.89 +/- 1.36   0.000% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.53 +/- 1.31   0.000% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  32.92 +/- 1.18   0.000% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 7.15, residual support = 232.8:
      O   HB3   LEU   31 - HN    LEU   31   3.54 +/- 0.02  98.553% * 99.4260% (0.83  10.0   7.15 232.78) = 100.000%  kept
          HD3   LYS+ 112 - HN    PHE   55   9.60 +/- 1.57   0.599% *  0.0167% (0.14   1.0   0.02   2.26) =   0.000%
          QG1   VAL   24 - HN    LEU   31   9.02 +/- 0.33   0.369% *  0.0247% (0.21   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LEU   31  11.99 +/- 0.49   0.067% *  0.0994% (0.83   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    PHE   55   9.38 +/- 0.60   0.308% *  0.0167% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  15.38 +/- 2.01   0.046% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    PHE   55  13.29 +/- 0.96   0.039% *  0.0499% (0.42   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  20.58 +/- 1.85   0.003% *  0.1023% (0.86   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.35 +/- 0.73   0.007% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  21.91 +/- 1.54   0.002% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  21.62 +/- 1.19   0.002% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  20.15 +/- 1.31   0.003% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  26.47 +/- 1.36   0.001% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  28.32 +/- 1.79   0.000% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.634, support = 7.61, residual support = 229.0:
          HG    LEU   31 - HN    LEU   31   2.58 +/- 0.47  92.658% * 64.0231% (0.64   7.69 232.78) =  98.277%  kept
          QD1   ILE   56 - HN    PHE   55   4.96 +/- 1.19   4.271% * 19.8586% (0.45   3.39  19.97) =   1.405%  kept
          QD2   LEU   73 - HN    LEU   31   6.28 +/- 0.60   1.242% * 15.3875% (0.78   1.52   1.31) =   0.317%
          QG1   VAL   41 - HN    LEU   31   5.91 +/- 0.57   1.824% *  0.0424% (0.16   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   31  19.22 +/- 1.68   0.001% *  0.2402% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    PHE   55  16.29 +/- 1.49   0.002% *  0.0987% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  20.75 +/- 1.44   0.001% *  0.1665% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  21.13 +/- 1.22   0.000% *  0.0812% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  24.60 +/- 1.47   0.000% *  0.0812% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  20.84 +/- 0.90   0.001% *  0.0207% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.05 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.91, residual support = 232.8:
          QD2   LEU   31 - HN    LEU   31   2.08 +/- 0.34  99.891% * 97.7530% (0.18   6.91 232.78) =  99.998%  kept
          QG2   VAL   43 - HN    LEU   31   7.10 +/- 0.71   0.107% *  1.4175% (0.92   0.02   0.02) =   0.002%
          QG2   VAL   43 - HN    PHE   55  14.81 +/- 0.92   0.001% *  0.6915% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  19.85 +/- 1.14   0.000% *  0.1381% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.6, support = 1.31, residual support = 1.33:
          QD1   LEU   73 - HN    LEU   31   4.64 +/- 0.63  88.141% * 78.7083% (0.60   1.32   1.31) =  99.169%  kept
          QD2   LEU  115 - HN    PHE   55   8.47 +/- 1.22   4.839% * 10.0661% (0.43   0.24   4.38) =   0.696%  kept
          QG1   VAL   83 - HN    LEU   31   8.25 +/- 0.53   3.748% *  1.1911% (0.60   0.02   0.02) =   0.064%
          QD2   LEU   80 - HN    LEU   31   9.00 +/- 0.89   2.145% *  1.7769% (0.90   0.02   0.02) =   0.054%
          QD1   LEU  104 - HN    LEU   31  12.96 +/- 1.03   0.265% *  1.8249% (0.92   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    PHE   55  11.48 +/- 0.86   0.519% *  0.5810% (0.29   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    LEU   31  14.63 +/- 1.83   0.164% *  1.1911% (0.60   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    LEU   31  18.53 +/- 1.70   0.028% *  1.7417% (0.88   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    PHE   55  17.08 +/- 1.47   0.050% *  0.8668% (0.44   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    PHE   55  17.29 +/- 1.30   0.054% *  0.5810% (0.29   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  18.00 +/- 1.14   0.033% *  0.5810% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  20.63 +/- 1.34   0.015% *  0.8902% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 1 structures by 0.20 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.676, support = 8.08, residual support = 52.0:
          HB3   GLN   30 - HN    LEU   31   2.97 +/- 0.32  95.752% * 97.9704% (0.68   8.08  51.98) =  99.997%  kept
          HB    ILE   56 - HN    PHE   55   5.38 +/- 0.78   3.922% *  0.0612% (0.17   0.02  19.97) =   0.003%
          HB2   MET   92 - HN    PHE   55   9.69 +/- 1.47   0.164% *  0.1414% (0.39   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    PHE   55   9.59 +/- 1.03   0.105% *  0.1598% (0.44   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.26 +/- 0.27   0.014% *  0.1758% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  11.94 +/- 0.84   0.031% *  0.0516% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  16.03 +/- 1.56   0.007% *  0.1254% (0.35   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  23.04 +/- 0.59   0.001% *  0.2898% (0.81   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  23.24 +/- 3.07   0.001% *  0.1892% (0.53   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  24.70 +/- 1.06   0.000% *  0.3275% (0.91   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.07 +/- 0.83   0.003% *  0.0251% (0.07   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  23.41 +/- 1.64   0.000% *  0.1254% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  23.82 +/- 1.63   0.000% *  0.1184% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  26.86 +/- 2.44   0.000% *  0.0612% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  31.59 +/- 1.12   0.000% *  0.0858% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  36.80 +/- 3.01   0.000% *  0.0923% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 6.04, residual support = 44.7:
          HG2   GLN   30 - HN    LEU   31   4.76 +/- 0.44  54.340% * 75.6544% (0.49   7.23  51.98) =  78.959%  kept
          HB3   ASN   28 - HN    LEU   31   4.92 +/- 0.15  45.619% * 24.0152% (0.71   1.58  17.46) =  21.041%  kept
          QE    LYS+ 121 - HN    LEU   31  19.32 +/- 2.21   0.016% *  0.0538% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    PHE   55  18.36 +/- 1.51   0.019% *  0.0263% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  23.86 +/- 1.82   0.004% *  0.1021% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  27.54 +/- 1.33   0.002% *  0.1482% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.09 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.47, residual support = 52.0:
      O   HA    GLN   30 - HN    LEU   31   3.58 +/- 0.04  85.832% * 98.9089% (0.64  10.0   6.48  51.98) =  99.995%  kept
          HB2   CYS   53 - HN    PHE   55   5.10 +/- 0.16  10.433% *  0.0195% (0.13   1.0   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    PHE   55   6.35 +/- 0.43   3.066% *  0.0537% (0.35   1.0   0.02   0.33) =   0.002%
          HB    THR   39 - HN    LEU   31   9.01 +/- 0.60   0.364% *  0.1046% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   31   9.87 +/- 0.58   0.207% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  13.66 +/- 1.04   0.031% *  0.1411% (0.91   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  17.16 +/- 2.27   0.011% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  15.10 +/- 1.11   0.017% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  17.93 +/- 0.49   0.006% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  14.15 +/- 1.24   0.026% *  0.0156% (0.10   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  20.70 +/- 0.88   0.002% *  0.0321% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  23.94 +/- 1.10   0.001% *  0.0689% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  22.52 +/- 1.16   0.001% *  0.0400% (0.26   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  26.89 +/- 1.00   0.000% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  26.27 +/- 1.71   0.001% *  0.0483% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.51 +/- 1.31   0.001% *  0.0510% (0.33   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  26.98 +/- 1.71   0.001% *  0.0537% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  30.29 +/- 1.31   0.000% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 6.36, residual support = 166.1:
      O   HA    ARG+  54 - HN    ARG+  54   2.75 +/- 0.06  99.917% * 99.0002% (0.61  10.0   6.36 166.11) = 100.000%  kept
          HA    LEU  115 - HN    ARG+  54  13.34 +/- 1.14   0.009% *  0.1527% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASP-  62  10.86 +/- 0.76   0.030% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  11.01 +/- 1.10   0.030% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  16.85 +/- 0.93   0.002% *  0.0990% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.75 +/- 0.69   0.004% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  17.25 +/- 1.14   0.002% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  24.60 +/- 1.16   0.000% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.88 +/- 0.79   0.002% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  19.73 +/- 0.87   0.001% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  27.60 +/- 1.23   0.000% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  21.73 +/- 0.60   0.000% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  29.34 +/- 2.10   0.000% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  24.99 +/- 1.43   0.000% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  27.23 +/- 0.75   0.000% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  23.64 +/- 2.10   0.000% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  22.06 +/- 0.60   0.000% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  22.53 +/- 0.59   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 74.6:
      O   HB2   TRP   49 - HN    TRP   49   2.77 +/- 0.44  99.976% * 99.6106% (0.98  10.0   3.99  74.62) = 100.000%  kept
          HA    ALA   84 - HN    TRP   49  13.05 +/- 1.11   0.016% *  0.1007% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    TRP   49  15.40 +/- 1.48   0.006% *  0.0911% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  22.37 +/- 1.09   0.001% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  23.07 +/- 1.69   0.001% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.55, residual support = 16.1:
          QB    ALA   47 - HE1   TRP   49   2.67 +/- 0.84  98.330% * 98.5650% (1.00   2.55  16.09) =  99.991%  kept
          HG2   LYS+ 112 - HE1   TRP   49  15.28 +/- 3.36   1.656% *  0.5329% (0.69   0.02   0.02) =   0.009%
          QG1   VAL   42 - HE1   TRP   49  15.47 +/- 1.13   0.009% *  0.7486% (0.97   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  16.80 +/- 1.29   0.005% *  0.1535% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.74, residual support = 16.1:
          QB    ALA   47 - HN    TRP   49   2.74 +/- 0.28  99.992% * 99.0191% (1.00   3.74  16.09) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.92 +/- 0.57   0.003% *  0.5118% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  17.44 +/- 2.77   0.003% *  0.3642% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  16.53 +/- 0.80   0.003% *  0.1049% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.831, support = 0.0462, residual support = 0.0199:
          HB2   CYS   53 - HN    ALA   47   3.68 +/- 0.54  96.760% * 11.0537% (0.90   0.02   0.02) =  86.604%  kept
          HD3   PRO   52 - HN    ALA   47   7.19 +/- 0.84   2.916% * 55.6613% (0.41   0.22   0.02) =  13.141%  kept
          HD2   PRO   58 - HN    ALA   47  10.72 +/- 1.51   0.288% *  9.8693% (0.80   0.02   0.02) =   0.230%
          HA    VAL   83 - HN    ALA   47  15.05 +/- 0.54   0.031% *  8.9500% (0.73   0.02   0.02) =   0.023%
          HA    GLN   30 - HN    ALA   47  20.98 +/- 0.68   0.004% *  5.9994% (0.49   0.02   0.02) =   0.002%
          HA    GLU- 100 - HN    ALA   47  26.08 +/- 0.65   0.001% *  8.4663% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 1 structures by 0.06 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   2.57 +/- 0.26  99.439% * 99.4473% (0.87  10.0   3.03  37.79) = 100.000%  kept
          HB3   PHE   72 - HN    ASP-  44   6.75 +/- 0.91   0.513% *  0.0876% (0.76   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  44  12.95 +/- 1.44   0.010% *  0.1085% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  44  12.34 +/- 0.83   0.011% *  0.0788% (0.69   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  11.80 +/- 0.81   0.015% *  0.0391% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  15.51 +/- 1.76   0.004% *  0.0958% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  14.55 +/- 1.34   0.008% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  23.59 +/- 1.85   0.000% *  0.1028% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  19.31 +/- 0.85   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.72, residual support = 7.48:
          HB2   LEU   73 - HN    ASP-  44   5.29 +/- 0.99  89.320% * 95.6394% (0.87   2.72   7.49) =  99.951%  kept
          QG1   ILE   56 - HN    ASP-  44  10.26 +/- 1.19   4.048% *  0.4919% (0.61   0.02   0.02) =   0.023%
          QD    LYS+ 106 - HN    ASP-  44  11.85 +/- 0.56   0.975% *  0.7950% (0.98   0.02   0.02) =   0.009%
          HB    ILE   89 - HN    ASP-  44   9.65 +/- 0.56   3.434% *  0.1251% (0.15   0.02   0.02) =   0.005%
          HB3   MET   92 - HN    ASP-  44  13.22 +/- 0.67   0.550% *  0.5889% (0.73   0.02   0.02) =   0.004%
          QD    LYS+  99 - HN    ASP-  44  13.83 +/- 0.85   0.372% *  0.8039% (0.99   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    ASP-  44  12.67 +/- 0.72   0.619% *  0.2503% (0.31   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HN    ASP-  44  13.96 +/- 0.79   0.356% *  0.3948% (0.49   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HN    ASP-  44  15.77 +/- 1.41   0.206% *  0.1420% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ASP-  44  18.97 +/- 0.84   0.053% *  0.4919% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  18.47 +/- 1.36   0.066% *  0.2767% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 11 structures by 0.98 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.557, support = 1.25, residual support = 6.13:
          HB2   LYS+  74 - HN    ASP-  44   5.89 +/- 0.41  55.850% * 62.4020% (0.65   1.22   6.15) =  75.871%  kept
          HD3   LYS+  74 - HN    ASP-  44   6.37 +/- 0.65  36.679% * 29.9438% (0.28   1.37   6.15) =  23.910%  kept
          QG2   THR   26 - HN    ASP-  44   8.65 +/- 0.39   5.741% *  1.4152% (0.90   0.02   0.02) =   0.177%
          HG2   LYS+  65 - HN    ASP-  44  13.39 +/- 1.11   0.480% *  1.4927% (0.95   0.02   0.02) =   0.016%
          QD    LYS+  66 - HN    ASP-  44  14.95 +/- 1.16   0.257% *  1.4152% (0.90   0.02   0.02) =   0.008%
          HD2   LYS+ 121 - HN    ASP-  44  14.92 +/- 1.07   0.233% *  1.5467% (0.98   0.02   0.02) =   0.008%
          HG    LEU  104 - HN    ASP-  44  13.76 +/- 0.82   0.389% *  0.6487% (0.41   0.02   0.02) =   0.005%
          HB3   LYS+ 121 - HN    ASP-  44  14.94 +/- 1.25   0.238% *  0.6487% (0.41   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HN    ASP-  44  16.42 +/- 1.37   0.133% *  0.4870% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 10 structures by 0.80 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.71, residual support = 37.8:
      O   HB3   ASP-  44 - HN    ASP-  44   3.60 +/- 0.17  98.293% * 99.1884% (0.99  10.0   3.71  37.79) =  99.999%  kept
          HB2   LEU   63 - HN    ASP-  44   9.56 +/- 1.28   0.433% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  44   9.39 +/- 1.04   0.395% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ASP-  44   9.87 +/- 0.63   0.260% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ASP-  44  10.35 +/- 1.06   0.223% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ASP-  44  10.49 +/- 0.84   0.186% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  12.00 +/- 0.62   0.079% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  12.05 +/- 0.51   0.077% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.31 +/- 0.69   0.018% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.56 +/- 1.69   0.006% *  0.0992% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  18.07 +/- 1.40   0.007% *  0.0647% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.46 +/- 1.53   0.010% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  18.14 +/- 1.14   0.007% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  19.05 +/- 0.45   0.005% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.17, residual support = 15.1:
          QG1   VAL   43 - HN    ASP-  44   4.33 +/- 0.21  79.634% * 97.7625% (0.90   4.17  15.15) =  99.872%  kept
          QG2   VAL   18 - HN    ASP-  44   6.55 +/- 1.12  10.103% *  0.5212% (1.00   0.02   0.02) =   0.068%
          QG2   THR   46 - HN    ASP-  44   6.61 +/- 0.70   7.367% *  0.5177% (0.99   0.02   0.02) =   0.049%
          QD1   ILE   19 - HN    ASP-  44   9.31 +/- 0.88   1.035% *  0.3992% (0.76   0.02   0.02) =   0.005%
          QG1   VAL   41 - HN    ASP-  44   9.09 +/- 0.35   0.975% *  0.3793% (0.73   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    ASP-  44   9.73 +/- 0.74   0.733% *  0.1034% (0.20   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ASP-  44  12.72 +/- 0.96   0.153% *  0.3168% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.71, residual support = 15.1:
          QG2   VAL   43 - HN    ASP-  44   2.98 +/- 0.27  97.481% * 99.0026% (0.65   3.71  15.15) =  99.993%  kept
          QD2   LEU   31 - HN    ASP-  44   7.39 +/- 0.71   0.552% *  0.6309% (0.76   0.02   0.02) =   0.004%
          QG2   VAL   83 - HN    ASP-  44   7.13 +/- 0.41   0.650% *  0.2548% (0.31   0.02   0.02) =   0.002%
          QD1   ILE   89 - HN    ASP-  44   6.46 +/- 0.64   1.317% *  0.1117% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.523, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.25 +/- 0.10  96.112% * 36.5033% (0.53   0.02   0.02) =  97.097%  kept
          HA    THR   23 - HN    VAL   43  14.88 +/- 0.52   2.841% * 21.4145% (0.31   0.02   0.02) =   1.684%  kept
          HA    ASP-  78 - HN    VAL   43  17.57 +/- 0.53   1.046% * 42.0822% (0.61   0.02   0.02) =   1.219%  kept
    Distance limit 4.48 A violated in 20 structures by 3.71 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   4.86 +/- 0.38 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.48 A violated in 2 structures by 0.39 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   3.35 +/- 0.42  99.420% * 97.4132% (0.97   2.96  16.41) =  99.997%  kept
          HB    VAL   70 - HN    VAL   43   9.45 +/- 0.64   0.261% *  0.6123% (0.90   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    VAL   43   9.68 +/- 0.80   0.230% *  0.1898% (0.28   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    VAL   43  13.69 +/- 0.84   0.028% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  13.54 +/- 1.16   0.031% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  14.43 +/- 0.71   0.021% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  16.75 +/- 0.48   0.008% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 4.25, residual support = 61.0:
      O   HB    VAL   43 - HN    VAL   43   2.91 +/- 0.25  99.873% * 99.7821% (0.87  10.0   4.25  60.98) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.44 +/- 0.93   0.068% *  0.0879% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  10.76 +/- 0.83   0.050% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  17.05 +/- 0.60   0.003% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  14.78 +/- 0.49   0.007% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.816, support = 5.4, residual support = 38.8:
          HB    VAL   42 - HN    VAL   43   4.45 +/- 0.08  57.496% * 70.1333% (0.84   5.71  41.31) =  93.050%  kept
          HG    LEU   98 - HN    VAL   43   5.75 +/- 1.07  17.721% *  8.9827% (0.49   1.25   0.02) =   3.673%  kept
          HB3   LEU   73 - HN    VAL   43   6.90 +/- 1.21   8.192% * 10.7092% (0.90   0.81   7.87) =   2.025%  kept
          HB3   ASP-  44 - HN    VAL   43   6.39 +/- 0.23   6.544% *  8.1620% (0.25   2.22  15.15) =   1.232%  kept
          QB    LEU   98 - HN    VAL   43   6.31 +/- 0.52   7.530% *  0.0515% (0.18   0.02   0.02) =   0.009%
          HG3   LYS+ 106 - HN    VAL   43   8.83 +/- 0.41   0.963% *  0.2936% (1.00   0.02   0.02) =   0.007%
          HB2   LEU   63 - HN    VAL   43   9.52 +/- 1.27   0.893% *  0.0515% (0.18   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    VAL   43  11.78 +/- 0.83   0.194% *  0.1904% (0.65   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    VAL   43  11.49 +/- 0.71   0.201% *  0.1785% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  13.68 +/- 1.42   0.089% *  0.2717% (0.92   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    VAL   43  13.31 +/- 0.58   0.083% *  0.2249% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  15.00 +/- 1.16   0.045% *  0.2458% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  18.33 +/- 1.04   0.012% *  0.2840% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  16.62 +/- 1.84   0.028% *  0.1104% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  19.81 +/- 1.83   0.009% *  0.1104% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 5.36, residual support = 61.0:
          QG1   VAL   43 - HN    VAL   43   2.42 +/- 0.33  99.399% * 98.2479% (0.90   5.36  60.98) =  99.998%  kept
          QG1   VAL   41 - HN    VAL   43   6.56 +/- 0.22   0.357% *  0.2970% (0.73   0.02   1.82) =   0.001%
          QG2   VAL   18 - HN    VAL   43   8.61 +/- 0.95   0.078% *  0.4081% (1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   43   9.76 +/- 0.87   0.045% *  0.4054% (0.99   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   43   9.26 +/- 0.99   0.043% *  0.2481% (0.61   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   8.67 +/- 0.89   0.062% *  0.0809% (0.20   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.98 +/- 1.04   0.016% *  0.3126% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.715, support = 2.22, residual support = 1.92:
          QG2   VAL   41 - HN    VAL   43   4.93 +/- 0.54  24.649% * 90.3744% (0.73   2.30   1.82) =  96.089%  kept
          QD1   LEU   73 - HN    VAL   43   5.80 +/- 0.63   7.774% *  6.5853% (0.45   0.27   7.87) =   2.208%  kept
          QD2   LEU   98 - HN    VAL   43   4.36 +/- 1.24  53.401% *  0.5692% (0.53   0.02   0.02) =   1.311%  kept
          QD2   LEU   63 - HN    VAL   43   7.74 +/- 2.16   4.141% *  1.0605% (0.98   0.02   0.02) =   0.189%
          QD1   LEU   63 - HN    VAL   43   6.94 +/- 2.05   9.015% *  0.4850% (0.45   0.02   0.02) =   0.189%
          QD1   LEU   80 - HN    VAL   43  10.63 +/- 1.37   0.320% *  0.5692% (0.53   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    VAL   43  10.19 +/- 1.54   0.430% *  0.1895% (0.18   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    VAL   43  10.37 +/- 1.08   0.270% *  0.1669% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.25 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.14, residual support = 41.3:
          QG1   VAL   42 - HN    VAL   43   2.79 +/- 0.22  99.837% * 99.2469% (0.97   5.14  41.31) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   8.39 +/- 0.69   0.151% *  0.0792% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  13.12 +/- 0.18   0.010% *  0.3991% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  17.90 +/- 1.53   0.002% *  0.2748% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.76 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:
          QD1   ILE   89 - HN    VAL   43   6.83 +/- 0.65  39.613% * 34.1913% (0.90   0.02   0.02) =  42.984%  kept
          QD2   LEU   31 - HN    VAL   43   6.63 +/- 0.80  48.434% * 27.6841% (0.73   0.02   0.02) =  42.553%  kept
          QG2   VAL   83 - HN    VAL   43   8.37 +/- 0.52  11.953% * 38.1246% (1.00   0.02   0.02) =  14.463%  kept
    Distance limit 3.97 A violated in 20 structures by 1.77 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.744, support = 4.93, residual support = 17.5:
          HB    VAL   41 - HN    VAL   42   4.16 +/- 0.22  26.280% * 85.2226% (0.97   5.48  22.61) =  70.209%  kept
          HB2   LEU   71 - HN    VAL   42   3.43 +/- 0.65  73.135% * 12.9930% (0.22   3.62   5.43) =  29.788%  kept
          HG12  ILE  103 - HN    VAL   42   9.76 +/- 1.15   0.193% *  0.3224% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    VAL   42  11.71 +/- 0.87   0.061% *  0.2693% (0.84   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    VAL   42  11.39 +/- 1.26   0.094% *  0.1100% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    VAL   42  10.82 +/- 0.90   0.099% *  0.0497% (0.15   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  11.77 +/- 0.72   0.056% *  0.0638% (0.20   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  16.64 +/- 2.31   0.010% *  0.2891% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  13.36 +/- 1.31   0.036% *  0.0718% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  13.09 +/- 0.54   0.029% *  0.0804% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  17.58 +/- 0.81   0.005% *  0.1825% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  22.19 +/- 0.93   0.001% *  0.2891% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  21.63 +/- 1.92   0.002% *  0.0565% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 5.81, residual support = 88.7:
      O   HB    VAL   42 - HN    VAL   42   2.37 +/- 0.10  98.634% * 99.1706% (0.98  10.0   5.81  88.74) =  99.999%  kept
          HB3   LEU   73 - HN    VAL   42   6.59 +/- 1.08   0.378% *  0.0957% (0.95   1.0   0.02   1.40) =   0.000%
          QB    LEU   98 - HN    VAL   42   5.87 +/- 0.42   0.501% *  0.0573% (0.57   1.0   0.02   0.63) =   0.000%
          HG    LEU   98 - HN    VAL   42   6.47 +/- 0.92   0.424% *  0.0137% (0.14   1.0   0.02   0.63) =   0.000%
          HG3   LYS+  33 - HN    VAL   42   9.46 +/- 0.75   0.028% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  13.51 +/- 1.53   0.006% *  0.0934% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.84 +/- 0.51   0.007% *  0.0773% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  11.20 +/- 0.79   0.010% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  14.35 +/- 0.99   0.002% *  0.0992% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  16.90 +/- 1.94   0.001% *  0.0845% (0.84   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  14.18 +/- 1.89   0.003% *  0.0281% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  14.14 +/- 0.60   0.002% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  14.39 +/- 0.66   0.002% *  0.0177% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  15.63 +/- 0.91   0.001% *  0.0225% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  21.51 +/- 1.42   0.000% *  0.0878% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.909, residual support = 1.23:
          QD1   LEU   40 - HN    VAL   42   4.00 +/- 0.62  98.979% * 97.1903% (0.98   0.91   1.23) =  99.982%  kept
          QD2   LEU   67 - HN    VAL   42   9.32 +/- 0.61   0.963% *  1.7474% (0.80   0.02   0.02) =   0.017%
          QG1   VAL  108 - HN    VAL   42  14.61 +/- 0.59   0.057% *  1.0622% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.44 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 = 0.841, support = 4.74, residual support = 35.2:
          QG1   VAL   43 - HN    VAL   42   3.88 +/- 0.34  63.717% * 50.4521% (0.90   4.46  41.31) =  67.064%  kept
          QG1   VAL   41 - HN    VAL   42   4.35 +/- 0.17  32.441% * 48.6503% (0.73   5.31  22.61) =  32.926%  kept
          QG2   VAL   18 - HN    VAL   42   8.56 +/- 0.86   0.728% *  0.2517% (1.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    VAL   42   9.10 +/- 1.25   0.660% *  0.1928% (0.76   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    VAL   42   7.22 +/- 0.83   1.951% *  0.0499% (0.20   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    VAL   42   9.30 +/- 0.86   0.423% *  0.1530% (0.61   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   42  11.98 +/- 0.67   0.079% *  0.2501% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 5.83, residual support = 22.4:
          QG2   VAL   41 - HN    VAL   42   3.22 +/- 0.39  75.571% * 93.4842% (0.73   5.87  22.61) =  99.195%  kept
          QD1   LEU   73 - HN    VAL   42   4.57 +/- 0.72  14.614% *  2.3308% (0.45   0.24   1.40) =   0.478%
          QD2   LEU   98 - HN    VAL   42   4.99 +/- 0.69   7.052% *  3.1837% (0.53   0.28   0.63) =   0.315%
          QD2   LEU   63 - HN    VAL   42   8.29 +/- 2.02   1.140% *  0.4297% (0.98   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    VAL   42   8.30 +/- 1.88   1.507% *  0.1965% (0.45   0.02   0.02) =   0.004%
          QD1   LEU   80 - HN    VAL   42  11.79 +/- 1.31   0.039% *  0.2307% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  11.33 +/- 1.04   0.047% *  0.0676% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  12.60 +/- 1.55   0.029% *  0.0768% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 1 structures by 0.10 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.42, residual support = 88.7:
          QG1   VAL   42 - HN    VAL   42   3.54 +/- 0.16  99.985% * 99.2554% (0.87   5.42  88.74) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  16.03 +/- 0.27   0.012% *  0.3230% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  21.02 +/- 2.00   0.003% *  0.4217% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.599, support = 5.29, residual support = 87.4:
          QG2   VAL   42 - HN    VAL   42   3.17 +/- 0.27  78.841% * 94.1419% (0.61   5.35  88.74) =  98.458%  kept
          QG2   VAL   70 - HN    VAL   42   4.04 +/- 0.23  20.752% *  5.5978% (0.14   1.42   1.34) =   1.541%  kept
          QG2   VAL   75 - HN    VAL   42   7.82 +/- 0.57   0.407% *  0.2603% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 4.5, residual support = 73.9:
      O   HB    VAL   41 - HN    VAL   41   2.87 +/- 0.34  95.740% * 99.3523% (0.90  10.0   4.50  73.90) =  99.997%  kept
          HB2   LEU   71 - HN    VAL   41   5.87 +/- 1.06   3.550% *  0.0672% (0.61   1.0   0.02   4.34) =   0.003%
          QB    LYS+ 102 - HN    VAL   41   8.19 +/- 1.31   0.381% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   41   8.00 +/- 0.98   0.300% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    VAL   41  12.98 +/- 1.01   0.014% *  0.1098% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  15.37 +/- 0.59   0.005% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  16.89 +/- 2.31   0.005% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  19.86 +/- 0.90   0.001% *  0.1048% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  16.22 +/- 0.95   0.004% *  0.0171% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  24.97 +/- 1.11   0.000% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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   3.38 +/- 0.84  98.066% * 80.6276% (0.18   3.78  19.83) =  99.962%  kept
          HG    LEU   73 - HN    VAL   41   8.45 +/- 0.89   0.913% *  1.4766% (0.61   0.02   0.02) =   0.017%
          HB3   LEU   67 - HN    VAL   41  10.20 +/- 1.63   0.350% *  2.3030% (0.95   0.02   0.02) =   0.010%
          HG2   LYS+ 102 - HN    VAL   41   9.86 +/- 1.40   0.350% *  1.1850% (0.49   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    VAL   41  13.30 +/- 1.68   0.065% *  2.1834% (0.90   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    VAL   41  13.02 +/- 2.27   0.131% *  0.8304% (0.34   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   41  14.33 +/- 1.21   0.036% *  1.9494% (0.80   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    VAL   41  14.78 +/- 0.62   0.028% *  2.4292% (1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    VAL   41  16.83 +/- 1.11   0.012% *  2.3495% (0.97   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  18.18 +/- 1.26   0.010% *  2.3030% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  15.45 +/- 0.89   0.020% *  0.7514% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  17.38 +/- 0.83   0.010% *  1.1850% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  17.38 +/- 1.42   0.012% *  0.4264% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.871, support = 1.47, residual support = 9.01:
          QB    ALA   34 - HN    VAL   41   4.07 +/- 0.26  87.169% * 73.7919% (0.90   1.47   9.40) =  95.860%  kept
          QG2   THR   39 - HN    VAL   41   5.82 +/- 0.42  11.987% * 23.1341% (0.28   1.49   0.02) =   4.133%  kept
          HG3   LYS+  38 - HN    VAL   41   9.36 +/- 0.95   0.756% *  0.5894% (0.53   0.02   0.02) =   0.007%
          QG2   THR   23 - HN    VAL   41  16.39 +/- 0.97   0.022% *  1.1103% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   41  16.14 +/- 1.84   0.028% *  0.8135% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    VAL   41  15.78 +/- 0.52   0.027% *  0.2494% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  18.88 +/- 1.27   0.010% *  0.3115% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.57, residual support = 19.8:
          QD2   LEU   40 - HN    VAL   41   2.50 +/- 0.57  98.977% * 97.7812% (0.92   4.57  19.83) =  99.996%  kept
          QD1   LEU   67 - HN    VAL   41   8.39 +/- 1.61   0.306% *  0.4382% (0.95   0.02   0.02) =   0.001%
          QD2   LEU   71 - HN    VAL   41   7.63 +/- 0.97   0.356% *  0.2997% (0.65   0.02   4.34) =   0.001%
          QG2   ILE  103 - HN    VAL   41   8.12 +/- 0.45   0.180% *  0.4591% (0.99   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    VAL   41   8.28 +/- 0.79   0.156% *  0.2437% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    VAL   41  12.15 +/- 1.64   0.016% *  0.1580% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    VAL   41  16.44 +/- 0.80   0.003% *  0.4622% (1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  13.82 +/- 0.77   0.007% *  0.1580% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 4.48, residual support = 73.9:
          QG1   VAL   41 - HN    VAL   41   2.10 +/- 0.34  99.058% * 98.1849% (1.00   4.48  73.90) =  99.998%  kept
          QG1   VAL   43 - HN    VAL   41   5.72 +/- 0.43   0.407% *  0.4146% (0.95   0.02   1.82) =   0.002%
          QD2   LEU  104 - HN    VAL   41   6.44 +/- 0.78   0.333% *  0.0867% (0.20   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   41   8.19 +/- 1.02   0.083% *  0.2658% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    VAL   41   7.54 +/- 0.48   0.097% *  0.1965% (0.45   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41  12.07 +/- 1.54   0.015% *  0.1353% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  11.85 +/- 0.79   0.005% *  0.3350% (0.76   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  15.18 +/- 0.74   0.001% *  0.2835% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  16.06 +/- 1.52   0.001% *  0.0976% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.71, support = 4.15, residual support = 70.4:
          QG2   VAL   41 - HN    VAL   41   3.53 +/- 0.56  73.103% * 79.0161% (0.73   4.38  73.90) =  92.170%  kept
          QD2   LEU   98 - HN    VAL   41   4.45 +/- 0.49  24.977% * 19.6249% (0.53   1.50  28.75) =   7.821%  kept
          QD1   LEU   73 - HN    VAL   41   7.55 +/- 0.81   1.154% *  0.2230% (0.45   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    VAL   41   9.62 +/- 2.06   0.436% *  0.4875% (0.98   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    VAL   41  10.09 +/- 1.68   0.256% *  0.2230% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   41  14.49 +/- 1.37   0.021% *  0.2617% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  14.08 +/- 1.60   0.027% *  0.0871% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  13.90 +/- 1.06   0.025% *  0.0767% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 2.75, residual support = 2.75:
          QG2   VAL   70 - HN    VAL   41   4.75 +/- 0.27  98.456% * 98.4683% (0.18   2.76   2.75) =  99.976%  kept
          QG2   THR  118 - HN    VAL   41   9.93 +/- 0.83   1.544% *  1.5317% (0.38   0.02   0.02) =   0.024%
    Distance limit 4.78 A violated in 0 structures by 0.10 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.315, support = 1.58, residual support = 33.9:
          HA    VAL   70 - HN    LEU   40   3.43 +/- 0.69  96.014% * 38.6664% (0.28   1.63  35.94) =  94.267%  kept
          HB2   SER   37 - HN    LEU   40   6.42 +/- 0.19   3.810% * 59.1825% (0.92   0.75   0.02) =   5.726%  kept
          HA1   GLY   16 - HN    LEU   40  10.92 +/- 2.11   0.169% *  1.6758% (0.98   0.02   0.02) =   0.007%
          HA    GLN  116 - HN    LEU   40  18.21 +/- 2.03   0.006% *  0.4753% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 3.92, residual support = 23.7:
          HB    THR   39 - HN    LEU   40   3.66 +/- 0.25  98.133% * 94.9792% (0.41   3.92  23.66) =  99.992%  kept
          HB3   SER   37 - HN    LEU   40   7.32 +/- 0.46   1.691% *  0.3276% (0.28   0.02   0.02) =   0.006%
          HA    GLN   30 - HN    LEU   40  11.25 +/- 0.68   0.125% *  1.1146% (0.95   0.02   0.02) =   0.001%
          QB    SER   13 - HN    LEU   40  14.51 +/- 2.28   0.045% *  0.5283% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  23.04 +/- 0.88   0.002% *  0.9005% (0.76   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  23.93 +/- 1.18   0.001% *  0.6671% (0.57   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  21.79 +/- 0.55   0.002% *  0.3276% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  28.77 +/- 0.99   0.000% *  1.1550% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 0.564, support = 0.973, residual support = 12.1:
          QE    LYS+  99 - HN    LEU   40   4.31 +/- 1.67  93.552% * 59.8324% (0.57   0.97  12.23) =  99.213%  kept
          QE    LYS+  38 - HN    LEU   40   8.97 +/- 0.62   1.245% * 33.5641% (0.31   1.00   0.02) =   0.741%  kept
          QE    LYS+ 102 - HN    LEU   40  12.49 +/- 2.05   4.635% *  0.3350% (0.15   0.02   0.02) =   0.028%
          HB2   PHE   97 - HN    LEU   40  10.47 +/- 1.06   0.433% *  2.0956% (0.97   0.02   0.84) =   0.016%
          HB3   TRP   27 - HN    LEU   40  15.08 +/- 0.43   0.044% *  2.1285% (0.98   0.02   0.02) =   0.002%
          QE    LYS+ 106 - HN    LEU   40  14.82 +/- 0.97   0.052% *  1.2294% (0.57   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    LEU   40  15.80 +/- 1.54   0.040% *  0.8150% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.67 A violated in 1 structures by 0.15 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.72, residual support = 102.5:
      O   HB2   LEU   40 - HN    LEU   40   2.52 +/- 0.19  99.987% * 99.7221% (0.97  10.0   4.72 102.48) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  13.56 +/- 0.59   0.004% *  0.0954% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  14.97 +/- 1.82   0.004% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  14.30 +/- 1.41   0.004% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  21.53 +/- 2.94   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  26.95 +/- 1.84   0.000% *  0.0463% (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 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.61, support = 4.92, residual support = 102.5:
      O   HB3   LEU   40 - HN    LEU   40   2.38 +/- 0.16  97.184% * 68.9610% (0.61  10.0   4.91 102.48) =  98.840%  kept
          HG    LEU   40 - HN    LEU   40   4.39 +/- 0.12   2.582% * 30.4682% (0.92   1.0   5.81 102.48) =   1.160%  kept
          HG    LEU   67 - HN    LEU   40   8.56 +/- 1.19   0.071% *  0.1114% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   40   7.92 +/- 1.50   0.117% *  0.0175% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40   9.87 +/- 0.63   0.022% *  0.0510% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  12.73 +/- 2.16   0.016% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  14.53 +/- 2.04   0.003% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  12.92 +/- 1.00   0.004% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  19.18 +/- 1.87   0.000% *  0.1050% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  19.84 +/- 2.30   0.000% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.31, support = 3.56, residual support = 22.4:
          QG2   THR   39 - HN    LEU   40   2.57 +/- 0.43  96.343% * 39.0687% (0.28   3.67  23.66) =  94.833%  kept
          QB    ALA   34 - HN    LEU   40   4.74 +/- 0.33   3.485% * 58.8273% (0.90   1.71   0.02) =   5.165%  kept
          HG3   LYS+  38 - HN    LEU   40   7.98 +/- 0.90   0.167% *  0.4034% (0.53   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    LEU   40  17.90 +/- 0.99   0.002% *  0.7600% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   40  17.61 +/- 1.73   0.002% *  0.5568% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  18.48 +/- 0.46   0.001% *  0.1707% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  21.87 +/- 1.20   0.000% *  0.2132% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.865, support = 1.33, residual support = 29.0:
          QG1   VAL   70 - HN    LEU   40   4.37 +/- 1.30  66.122% * 63.7447% (0.84   1.50  35.94) =  79.651%  kept
          QD1   LEU   71 - HN    LEU   40   5.80 +/- 1.77  32.271% * 33.3259% (0.98   0.67   1.66) =  20.323%  kept
          QD1   LEU  123 - HN    LEU   40  12.18 +/- 2.60   0.603% *  0.9974% (0.98   0.02   0.02) =   0.011%
          HB3   LEU  104 - HN    LEU   40  10.57 +/- 0.93   0.597% *  0.9393% (0.92   0.02   0.02) =   0.011%
          QG1   VAL   18 - HN    LEU   40  12.28 +/- 0.94   0.248% *  0.7389% (0.73   0.02   0.02) =   0.003%
          HB3   LEU   63 - HN    LEU   40  12.00 +/- 1.24   0.159% *  0.2537% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 3 structures by 0.28 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.555, support = 4.78, residual support = 96.1:
          QD2   LEU   40 - HN    LEU   40   4.12 +/- 0.15  82.392% * 67.2657% (0.53   5.02 102.48) =  93.659%  kept
          QD2   LEU   71 - HN    LEU   40   6.06 +/- 0.94  12.117% * 30.8296% (0.98   1.24   1.66) =   6.313%  kept
          QD1   LEU   67 - HN    LEU   40   7.16 +/- 1.16   4.897% *  0.2882% (0.57   0.02   0.02) =   0.024%
          QG2   ILE  119 - HN    LEU   40  12.02 +/- 1.86   0.229% *  0.3891% (0.76   0.02   0.02) =   0.002%
          QD1   ILE  103 - HN    LEU   40  11.83 +/- 0.68   0.154% *  0.4700% (0.92   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    LEU   40  11.32 +/- 0.53   0.197% *  0.3497% (0.69   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  17.79 +/- 0.89   0.014% *  0.4077% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.06, residual support = 35.9:
          QG2   VAL   70 - HN    LEU   40   3.72 +/- 0.56 100.000% *100.0000% (0.57   6.06  35.94) = 100.000%  kept
    Distance limit 4.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.231, support = 1.93, residual support = 9.21:
          HA    ALA   34 - HN    THR   39   2.54 +/- 0.31  99.552% * 22.8189% (0.22   1.94   9.34) =  98.603%  kept
          HA    GLU-  36 - HN    THR   39   6.49 +/- 0.08   0.438% * 73.5004% (0.80   1.73   0.02) =   1.396%  kept
          HA    ASN   28 - HN    THR   39  12.60 +/- 0.33   0.008% *  0.3975% (0.38   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    THR   39  19.88 +/- 4.05   0.002% *  1.0221% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  25.15 +/- 0.54   0.000% *  0.9499% (0.90   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  22.08 +/- 1.24   0.000% *  0.3613% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  27.88 +/- 1.83   0.000% *  0.9499% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.857, support = 2.82, residual support = 5.99:
          HA    SER   37 - HN    THR   39   4.31 +/- 0.07  81.595% * 52.6238% (0.90   2.73   2.67) =  84.182%  kept
          HA    LEU   40 - HN    THR   39   5.56 +/- 0.05  17.777% * 45.3780% (0.65   3.27  23.66) =  15.815%  kept
          HA    GLU-  15 - HN    THR   39  12.60 +/- 1.62   0.182% *  0.3585% (0.84   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    THR   39  10.87 +/- 0.21   0.320% *  0.1464% (0.34   0.02   0.02) =   0.001%
          HA    SER   13 - HN    THR   39  15.18 +/- 2.43   0.075% *  0.3585% (0.84   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   39  15.68 +/- 1.57   0.044% *  0.3850% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.37 +/- 0.38   0.003% *  0.4060% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  23.32 +/- 1.03   0.003% *  0.3437% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.407, support = 3.6, residual support = 36.1:
      O   HB    THR   39 - HN    THR   39   2.78 +/- 0.26  68.618% * 92.4573% (0.41  10.0   3.65  37.19) =  96.823%  kept
          HB3   SER   37 - HN    THR   39   3.34 +/- 0.49  31.318% *  6.6469% (0.28   1.0   2.13   2.67) =   3.177%  kept
          HA    GLN   30 - HN    THR   39   9.29 +/- 0.53   0.057% *  0.2127% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  14.16 +/- 2.73   0.007% *  0.1008% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  22.79 +/- 0.95   0.000% *  0.1719% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  26.84 +/- 1.16   0.000% *  0.1273% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  23.82 +/- 0.44   0.000% *  0.0625% (0.28   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  31.68 +/- 0.93   0.000% *  0.2204% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 0.739, support = 3.37, residual support = 23.6:
          QG2   THR   39 - HN    THR   39   3.43 +/- 0.37  50.523% * 21.0151% (0.49   3.75  37.19) =  44.367%  kept
          QB    ALA   34 - HN    THR   39   3.54 +/- 0.13  43.477% * 23.0006% (1.00   2.00   9.34) =  41.787%  kept
          HG3   LYS+  38 - HN    THR   39   5.25 +/- 0.53   5.980% * 55.4137% (0.76   6.29  22.95) =  13.846%  kept
          HG13  ILE   19 - HN    THR   39  13.76 +/- 1.63   0.017% *  0.0456% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  17.28 +/- 0.94   0.003% *  0.2000% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  20.65 +/- 1.89   0.001% *  0.2128% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  23.94 +/- 1.05   0.000% *  0.1122% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 218.5:
      O   HA    LYS+  38 - HN    LYS+  38   2.21 +/- 0.00  99.682% * 99.7734% (0.80  10.0   6.63 218.54) = 100.000%  kept
          HA    GLU- 100 - HN    LYS+  38   6.42 +/- 1.43   0.318% *  0.0705% (0.57   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  18.20 +/- 0.30   0.000% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  20.97 +/- 0.65   0.000% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  28.16 +/- 1.32   0.000% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 218.5:
      O   HB2   LYS+  38 - HN    LYS+  38   3.27 +/- 0.11  99.889% * 99.7624% (1.00  10.0   5.63 218.54) = 100.000%  kept
          HB    VAL   70 - HN    LYS+  38  11.79 +/- 1.02   0.059% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  38  12.84 +/- 0.68   0.030% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  38  14.82 +/- 0.58   0.012% *  0.0724% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  17.03 +/- 1.83   0.006% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.67 +/- 0.49   0.003% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  29.43 +/- 0.65   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.2, residual support = 218.5:
      O   HB3   LYS+  38 - HN    LYS+  38   4.07 +/- 0.06  93.526% * 99.4497% (0.90  10.0   5.20 218.54) =  99.998%  kept
          QB    LYS+  33 - HN    LYS+  38   6.47 +/- 0.38   6.235% *  0.0219% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    LYS+  38  11.35 +/- 0.55   0.210% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  17.61 +/- 0.82   0.015% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  20.65 +/- 3.64   0.009% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  27.57 +/- 1.13   0.001% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  27.50 +/- 1.26   0.001% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  29.44 +/- 0.66   0.001% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  24.86 +/- 0.51   0.002% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  28.65 +/- 0.93   0.001% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (1.31, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.86, residual support = 218.5:
          HG2   LYS+  38 - HN    LYS+  38   3.27 +/- 0.17  99.445% * 98.4038% (0.65   5.86 218.54) =  99.999%  kept
          HG2   LYS+  99 - HN    LYS+  38   8.50 +/- 0.94   0.396% *  0.2733% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    LYS+  38   9.71 +/- 0.30   0.152% *  0.1156% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  21.21 +/- 0.38   0.001% *  0.4914% (0.95   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  21.86 +/- 0.49   0.001% *  0.4914% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  17.90 +/- 0.89   0.004% *  0.0801% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  30.41 +/- 1.84   0.000% *  0.1444% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.42, residual support = 26.9:
      O   HB3   SER   37 - HN    SER   37   2.58 +/- 0.32  97.649% * 99.5080% (0.99  10.0   3.42  26.90) =  99.998%  kept
          HB    THR   39 - HN    SER   37   5.22 +/- 0.36   2.253% *  0.0995% (0.99   1.0   0.02   2.67) =   0.002%
          HA    GLN   30 - HN    SER   37   8.64 +/- 0.36   0.090% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  14.50 +/- 2.98   0.007% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  22.71 +/- 1.01   0.000% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  23.02 +/- 0.98   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  25.27 +/- 0.38   0.000% *  0.0995% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  33.56 +/- 0.92   0.000% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 +/- 0.23  98.481% * 98.3047% (1.00   3.72  18.85) =  99.998%  kept
          HG3   GLU- 100 - HN    SER   37   7.90 +/- 1.39   1.395% *  0.0926% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    SER   37  11.44 +/- 0.74   0.089% *  0.4585% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.48 +/- 0.62   0.033% *  0.2573% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  23.75 +/- 0.85   0.001% *  0.5239% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  29.42 +/- 0.69   0.000% *  0.3631% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.09 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   4.83 +/- 0.06  98.586% * 97.0700% (0.38   4.12  13.65) =  99.995%  kept
          HG2   LYS+  99 - HN    SER   37  10.10 +/- 0.87   1.331% *  0.3487% (0.28   0.02   0.02) =   0.005%
          QG2   THR   23 - HN    SER   37  16.92 +/- 0.90   0.057% *  0.4278% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    SER   37  21.05 +/- 0.43   0.015% *  1.2429% (0.99   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  22.16 +/- 0.40   0.011% *  0.9106% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.36 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.05, residual support = 51.9:
          HB2   ASN   35 - HN    GLU-  36   3.51 +/- 0.13  91.790% * 97.9497% (0.65   6.05  51.92) =  99.960%  kept
          QE    LYS+  33 - HN    GLU-  36   5.86 +/- 0.97   8.131% *  0.4340% (0.87   0.02   0.02) =   0.039%
          HB2   ASN   28 - HN    GLU-  36  11.60 +/- 0.42   0.073% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  19.36 +/- 0.64   0.003% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  21.32 +/- 1.80   0.002% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  27.16 +/- 0.68   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 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   3.26 +/- 0.53  99.991% * 99.4347% (0.97   4.85  86.74) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  17.27 +/- 1.01   0.008% *  0.3402% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  24.90 +/- 1.05   0.001% *  0.1595% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  29.72 +/- 1.90   0.000% *  0.0656% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.06 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   2.14 +/- 0.08  99.927% * 99.6951% (0.90  10.0   7.31  86.74) = 100.000%  kept
          HG3   GLU- 100 - HN    GLU-  36   8.71 +/- 1.59   0.058% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  36   9.87 +/- 0.73   0.011% *  0.0674% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  11.69 +/- 0.55   0.004% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  22.77 +/- 0.91   0.000% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  18.00 +/- 0.51   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  28.66 +/- 0.77   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.96 +/- 0.29  99.535% * 97.3217% (0.65   4.85  86.74) =  99.999%  kept
          QG    GLU-  15 - HN    GLU-  36  11.98 +/- 2.51   0.339% *  0.2781% (0.45   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLU-  36  17.92 +/- 3.29   0.021% *  0.5564% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  15.13 +/- 2.37   0.061% *  0.1915% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  15.92 +/- 0.55   0.026% *  0.1547% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  18.61 +/- 0.57   0.010% *  0.2116% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  22.93 +/- 1.00   0.003% *  0.3020% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  25.01 +/- 1.02   0.002% *  0.3512% (0.57   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  24.27 +/- 0.97   0.002% *  0.1228% (0.20   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  30.48 +/- 1.19   0.001% *  0.4013% (0.65   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  31.97 +/- 1.44   0.000% *  0.1087% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.233, support = 0.0199, residual support = 0.0199:
          HA2   GLY  101 - HD22  ASN   35   7.39 +/- 2.68  96.303% * 14.8773% (0.20   0.02   0.02) =  90.105%  kept
          HB2   TRP   27 - HD22  ASN   35  15.16 +/- 1.14   3.598% * 42.5614% (0.57   0.02   0.02) =   9.630%  kept
          HD2   PRO   93 - HD22  ASN   35  28.00 +/- 1.58   0.099% * 42.5614% (0.57   0.02   0.02) =   0.265%
    Distance limit 4.75 A violated in 12 structures by 2.65 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.6, residual support = 55.5:
      O   HB2   ASN   35 - HD22  ASN   35   3.58 +/- 0.11  99.703% * 99.5004% (0.76  10.0   3.60  55.46) = 100.000%  kept
          QE    LYS+  33 - HD22  ASN   35  10.69 +/- 1.08   0.189% *  0.0995% (0.76   1.0   0.02   1.20) =   0.000%
          HB2   ASN   28 - HD22  ASN   35  11.82 +/- 1.03   0.095% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD22  ASN   35  16.95 +/- 1.67   0.011% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  24.48 +/- 1.36   0.001% *  0.1256% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  27.80 +/- 1.48   0.000% *  0.0325% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 1.6, residual support = 6.32:
          HA    GLN   32 - HD21  ASN   35   3.94 +/- 0.46  96.494% * 55.0712% (0.76   1.61   6.43) =  97.985%  kept
          HA    LYS+  33 - HD21  ASN   35   7.28 +/- 0.30   2.731% * 39.8113% (0.69   1.29   1.20) =   2.005%  kept
          HA    GLU-  29 - HD21  ASN   35   9.06 +/- 0.52   0.698% *  0.7488% (0.83   0.02   0.02) =   0.010%
          HA    VAL   70 - HD21  ASN   35  14.23 +/- 0.93   0.057% *  0.3365% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  19.33 +/- 0.78   0.008% *  0.7776% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  20.36 +/- 1.44   0.006% *  0.8276% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  22.57 +/- 1.48   0.003% *  0.7178% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  29.39 +/- 1.04   0.001% *  0.8652% (0.96   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  27.09 +/- 1.88   0.001% *  0.3365% (0.38   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  31.71 +/- 1.44   0.000% *  0.5075% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.6, residual support = 55.5:
      O   HB2   ASN   35 - HD21  ASN   35   2.42 +/- 0.26  99.941% * 99.3188% (0.61  10.0   3.60  55.46) = 100.000%  kept
          QE    LYS+  33 - HD21  ASN   35   9.54 +/- 1.07   0.038% *  0.1469% (0.90   1.0   0.02   1.20) =   0.000%
          HB2   ASN   28 - HD21  ASN   35  10.58 +/- 0.76   0.019% *  0.1580% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  16.61 +/- 1.40   0.001% *  0.1512% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  23.89 +/- 1.43   0.000% *  0.1637% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  26.91 +/- 1.20   0.000% *  0.0615% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 4.14, residual support = 44.2:
      O   HA    GLN   32 - HN    GLN   32   2.73 +/- 0.02  78.989% * 97.8478% (0.65  10.0   4.15  44.38) =  99.674%  kept
          HA    GLU-  29 - HN    GLN   32   3.45 +/- 0.14  19.502% *  1.2852% (0.92   1.0   0.18   0.02) =   0.323%
          HA    LYS+  33 - HN    GLN   32   5.28 +/- 0.05   1.497% *  0.1211% (0.80   1.0   0.02  11.65) =   0.002%
          HA    VAL   70 - HN    GLN   32  13.29 +/- 0.66   0.006% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN   32  15.33 +/- 0.85   0.003% *  0.1431% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  16.33 +/- 1.04   0.002% *  0.1483% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  20.46 +/- 0.57   0.000% *  0.1039% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  24.69 +/- 1.08   0.000% *  0.1357% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  25.91 +/- 1.36   0.000% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.95 +/- 0.99   0.000% *  0.0678% (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 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.6, residual support = 151.9:
      O   HA    LYS+  33 - HN    LYS+  33   2.85 +/- 0.02  94.648% * 99.4322% (0.87  10.0   5.60 151.95) =  99.995%  kept
          HA    GLU-  29 - HN    LYS+  33   4.81 +/- 0.49   5.043% *  0.0832% (0.73   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    LYS+  33   7.80 +/- 0.65   0.272% *  0.0558% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  33  11.65 +/- 0.75   0.023% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  14.25 +/- 0.88   0.007% *  0.0787% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  15.74 +/- 2.37   0.006% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  18.51 +/- 1.13   0.001% *  0.0695% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  25.56 +/- 1.46   0.000% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  25.42 +/- 1.00   0.000% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.43, support = 3.58, residual support = 21.1:
      O   HA    ASN   28 - HN    GLU-  29   3.65 +/- 0.01  26.647% * 72.6373% (0.18  10.0   5.10  33.00) =  62.579%  kept
          HA    THR   26 - HN    GLU-  29   3.27 +/- 0.14  52.730% * 19.2158% (0.95   1.0   0.98   1.36) =  32.759%  kept
          HA    GLU-  25 - HN    GLU-  29   3.90 +/- 0.32  20.568% *  7.0111% (0.22   1.0   1.52   0.02) =   4.662%  kept
          HA    ALA   34 - HN    GLU-  29  11.10 +/- 0.39   0.035% *  0.1280% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  29  13.39 +/- 0.84   0.012% *  0.1705% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  15.65 +/- 2.94   0.008% *  0.2019% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  24.16 +/- 0.86   0.000% *  0.2849% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  28.43 +/- 0.89   0.000% *  0.2683% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  24.69 +/- 0.67   0.000% *  0.0821% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.87, residual support = 93.2:
      O   HB2   ASN   28 - HD22  ASN   28   3.51 +/- 0.15  99.134% * 99.6000% (0.95  10.0   3.87  93.25) =  99.999%  kept
          HB2   ASP-  86 - HD22  ASN   28   8.32 +/- 0.49   0.621% *  0.0996% (0.95   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   28  10.91 +/- 1.14   0.143% *  0.0913% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD22  ASN   28  11.54 +/- 0.97   0.087% *  0.0681% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  16.07 +/- 0.54   0.012% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  21.16 +/- 1.47   0.002% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.17, residual support = 157.0:
      O   HG2   GLN   30 - HE21  GLN   30   3.72 +/- 0.11  99.672% * 99.8337% (0.61  10.0   4.17 157.03) = 100.000%  kept
          HB3   ASN   28 - HE21  GLN   30  10.10 +/- 1.04   0.317% *  0.1375% (0.84   1.0   0.02   8.29) =   0.000%
          QE    LYS+ 121 - HE21  GLN   30  18.59 +/- 2.57   0.011% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.14, residual support = 157.0:
      O   HG2   GLN   30 - HE22  GLN   30   2.72 +/- 0.23  99.864% * 99.8337% (0.61  10.0   4.14 157.03) = 100.000%  kept
          HB3   ASN   28 - HE22  GLN   30   8.56 +/- 1.02   0.135% *  0.1375% (0.84   1.0   0.02   8.29) =   0.000%
          QE    LYS+ 121 - HE22  GLN   30  18.71 +/- 2.40   0.002% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.59, residual support = 93.2:
      O   HB3   ASN   28 - HD22  ASN   28   3.21 +/- 0.38  98.843% * 99.7665% (0.90  10.0   3.59  93.25) =  99.999%  kept
          HG2   GLN   30 - HD22  ASN   28   6.94 +/- 0.93   1.153% *  0.1110% (1.00   1.0   0.02   8.29) =   0.001%
          QE    LYS+ 121 - HD22  ASN   28  20.69 +/- 1.94   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  22.03 +/- 2.48   0.002% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 1.3, residual support = 11.4:
          QG2   VAL   24 - HD22  ASN   28   3.15 +/- 0.61  99.991% * 97.3820% (0.97   1.30  11.41) = 100.000%  kept
          HG    LEU   63 - HD22  ASN   28  19.90 +/- 2.29   0.003% *  1.3429% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HD22  ASN   28  16.99 +/- 0.67   0.006% *  0.5810% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  26.75 +/- 1.77   0.000% *  0.6941% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.94, residual support = 92.0:
      O   HA    GLU-  29 - HN    GLU-  29   2.70 +/- 0.01  99.681% * 99.3483% (0.84  10.0   5.94  91.98) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.10 +/- 0.46   0.073% *  0.1125% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.50 +/- 0.23   0.223% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  12.68 +/- 1.00   0.011% *  0.0864% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  15.12 +/- 0.66   0.003% *  0.0952% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  16.12 +/- 0.58   0.002% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  14.18 +/- 0.58   0.005% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  18.91 +/- 0.61   0.001% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  21.64 +/- 1.10   0.000% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  26.97 +/- 1.11   0.000% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 5.83, residual support = 33.0:
          HB2   ASN   28 - HN    GLU-  29   2.24 +/- 0.09  99.887% * 98.6666% (0.97   5.83  33.00) = 100.000%  kept
          QE    LYS+  33 - HN    GLU-  29   8.28 +/- 1.64   0.099% *  0.3145% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  29  10.57 +/- 0.78   0.010% *  0.2127% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  12.68 +/- 0.63   0.003% *  0.3238% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  21.13 +/- 1.69   0.000% *  0.3507% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  18.13 +/- 0.68   0.000% *  0.1316% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.676, support = 5.59, residual support = 31.2:
          HB3   ASN   28 - HN    GLU-  29   3.62 +/- 0.11  87.322% * 48.2449% (0.65   5.75  33.00) =  86.620%  kept
          HG2   GLN   30 - HN    GLU-  29   5.17 +/- 0.50  12.675% * 51.3416% (0.87   4.56  19.50) =  13.380%  kept
          QE    LYS+ 121 - HN    GLU-  29  22.77 +/- 2.12   0.002% *  0.2455% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  23.40 +/- 2.53   0.002% *  0.1679% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (2.42, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 5.39, residual support = 92.0:
          HG2   GLU-  29 - HN    GLU-  29   3.22 +/- 0.47  97.619% * 97.7546% (0.57   5.39  91.98) =  99.995%  kept
          QG    GLN   32 - HN    GLU-  29   6.53 +/- 1.05   2.332% *  0.1780% (0.28   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HN    GLU-  29  12.66 +/- 0.69   0.038% *  0.2632% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLU-  29  15.97 +/- 0.55   0.009% *  0.6346% (0.99   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  21.71 +/- 0.73   0.001% *  0.5348% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  26.56 +/- 2.02   0.000% *  0.6346% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.615, support = 3.56, residual support = 7.2:
          HA    ASN   28 - HN    GLN   30   3.71 +/- 0.08  54.673% * 57.0596% (0.45   4.54   8.29) =  67.715%  kept
          HA    THR   26 - HN    GLN   30   4.02 +/- 0.36  36.402% * 40.8484% (0.97   1.51   4.91) =  32.276%  kept
          HA1   GLY  101 - HN    LYS+  99   5.34 +/- 0.75   8.298% *  0.0308% (0.05   0.02   1.42) =   0.006%
          HA    ALA   34 - HN    GLN   30   8.76 +/- 0.43   0.331% *  0.3631% (0.65   0.02   0.47) =   0.003%
          HA1   GLY  101 - HN    GLN   30  14.32 +/- 2.91   0.035% *  0.4688% (0.84   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLN   30  11.47 +/- 0.80   0.070% *  0.0866% (0.15   0.02   1.77) =   0.000%
          HA    ALA   34 - HN    LYS+  99  10.03 +/- 0.39   0.140% *  0.0239% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  13.21 +/- 0.71   0.028% *  0.0165% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  22.76 +/- 0.70   0.001% *  0.2732% (0.49   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  26.52 +/- 0.82   0.000% *  0.5309% (0.95   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  22.85 +/- 0.96   0.001% *  0.1915% (0.34   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  18.05 +/- 0.64   0.004% *  0.0349% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.39 +/- 0.96   0.008% *  0.0179% (0.03   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  18.25 +/- 0.58   0.004% *  0.0356% (0.06   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  19.20 +/- 0.97   0.003% *  0.0057% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.76 +/- 0.92   0.001% *  0.0126% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 5.39, residual support = 19.5:
      O   HA    GLU-  29 - HN    GLN   30   3.49 +/- 0.01  96.642% * 99.3278% (1.00  10.0   5.39  19.50) =  99.998%  kept
          HA    LYS+  33 - HN    GLN   30   7.54 +/- 0.32   0.980% *  0.0976% (0.98   1.0   0.02   0.17) =   0.001%
          HA    GLN   32 - HN    GLN   30   6.73 +/- 0.16   1.899% *  0.0374% (0.38   1.0   0.02   1.52) =   0.001%
          HA    VAL   18 - HN    GLN   30  12.79 +/- 0.67   0.042% *  0.0987% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  13.38 +/- 0.59   0.032% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  14.13 +/- 1.02   0.024% *  0.0961% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  11.91 +/- 0.58   0.064% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  10.49 +/- 0.83   0.156% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  13.93 +/- 0.50   0.024% *  0.0064% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  19.10 +/- 0.52   0.004% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  12.26 +/- 0.69   0.055% *  0.0025% (0.02   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  21.20 +/- 1.03   0.002% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  15.85 +/- 0.65   0.011% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  24.76 +/- 1.18   0.001% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  16.84 +/- 0.79   0.008% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.63 +/- 0.38   0.044% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  18.24 +/- 1.20   0.005% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  24.99 +/- 0.84   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  21.76 +/- 1.13   0.002% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  19.26 +/- 1.02   0.004% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  26.48 +/- 0.74   0.001% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  26.44 +/- 0.96   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 6.22, residual support = 157.0:
      O   HA    GLN   30 - HN    GLN   30   2.83 +/- 0.01  99.830% * 99.5516% (0.92  10.0   6.22 157.03) = 100.000%  kept
          HB    THR   39 - HN    GLN   30  10.30 +/- 0.66   0.046% *  0.0483% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   30  10.86 +/- 0.59   0.033% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  13.23 +/- 1.08   0.011% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  16.61 +/- 2.17   0.004% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  10.05 +/- 0.39   0.052% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  18.38 +/- 0.55   0.001% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.17 +/- 0.82   0.007% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  22.17 +/- 1.03   0.000% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  12.98 +/- 0.78   0.012% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  26.54 +/- 0.84   0.000% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  20.23 +/- 1.16   0.001% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  17.95 +/- 0.68   0.002% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.29 +/- 2.22   0.001% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.76 +/- 1.07   0.000% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  27.79 +/- 1.02   0.000% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 7.04, residual support = 153.7:
          HG2   GLN   30 - HN    GLN   30   3.10 +/- 0.39  94.115% * 72.3989% (1.00   7.13 157.03) =  97.757%  kept
          HB3   ASN   28 - HN    GLN   30   5.08 +/- 0.05   5.720% * 27.3369% (0.90   3.00   8.29) =   2.243%  kept
          QE    LYS+ 121 - HN    LYS+  99  11.02 +/- 1.95   0.103% *  0.0097% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  20.79 +/- 2.25   0.002% *  0.1478% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  12.86 +/- 2.30   0.040% *  0.0050% (0.02   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  15.18 +/- 0.91   0.009% *  0.0133% (0.07   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  14.77 +/- 0.78   0.010% *  0.0120% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  20.82 +/- 2.54   0.001% *  0.0764% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.7, residual support = 157.0:
      O   HB3   GLN   30 - HN    GLN   30   2.36 +/- 0.36  98.221% * 98.7410% (0.69  10.0   6.70 157.03) =  99.999%  kept
          QB    LYS+  33 - HN    GLN   30   5.34 +/- 0.57   1.102% *  0.1044% (0.73   1.0   0.02   0.17) =   0.001%
          HB    ILE  103 - HN    LYS+  99   6.21 +/- 0.34   0.498% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.85 +/- 0.76   0.073% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.29 +/- 0.48   0.042% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.75 +/- 0.58   0.039% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  15.12 +/- 0.33   0.002% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  15.67 +/- 0.53   0.002% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  15.94 +/- 0.63   0.002% *  0.1289% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  16.97 +/- 1.15   0.001% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.63 +/- 0.51   0.007% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.25 +/- 1.02   0.001% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  20.82 +/- 1.40   0.000% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.25 +/- 0.99   0.006% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  20.58 +/- 1.10   0.000% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.67 +/- 1.56   0.000% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  23.30 +/- 0.63   0.000% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  25.82 +/- 2.47   0.000% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  16.83 +/- 1.50   0.002% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  24.61 +/- 1.08   0.000% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  21.36 +/- 1.36   0.000% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  21.59 +/- 0.95   0.000% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  22.07 +/- 0.81   0.000% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  22.08 +/- 0.88   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  23.84 +/- 1.12   0.000% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  27.23 +/- 1.48   0.000% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 5.76, residual support = 50.7:
          HG    LEU   31 - HN    GLN   30   4.45 +/- 0.61  35.830% * 89.2527% (0.80   5.90  51.98) =  97.378%  kept
          QD2   LEU   73 - HN    GLN   30   6.17 +/- 0.70   8.571% *  9.9747% (0.92   0.57   4.22) =   2.603%  kept
          QG1   VAL   41 - HN    LYS+  99   4.23 +/- 0.94  51.983% *  0.0062% (0.02   0.02   0.02) =   0.010%
          QG1   VAL   41 - HN    GLN   30   7.74 +/- 0.80   2.875% *  0.0942% (0.25   0.02   0.02) =   0.008%
          HG    LEU   31 - HN    LYS+  99  10.50 +/- 1.32   0.360% *  0.0199% (0.05   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LYS+  99  10.90 +/- 0.63   0.179% *  0.0229% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  10.99 +/- 1.25   0.183% *  0.0140% (0.04   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  19.49 +/- 1.71   0.006% *  0.3769% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  22.48 +/- 1.29   0.002% *  0.2138% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  17.30 +/- 1.42   0.011% *  0.0248% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 4.91:
          QG2   THR   26 - HN    GLN   30   4.23 +/- 0.25  95.714% * 94.2903% (0.73   2.00   4.91) =  99.994%  kept
          HB3   LEU   40 - HN    LYS+  99   7.57 +/- 0.59   3.557% *  0.0619% (0.05   0.02  12.23) =   0.002%
          HB2   LYS+  74 - HN    GLN   30  12.61 +/- 0.64   0.154% *  1.2283% (0.95   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    GLN   30  13.46 +/- 0.51   0.104% *  0.9429% (0.73   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+  99  12.33 +/- 1.54   0.258% *  0.0483% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLN   30  19.88 +/- 1.31   0.010% *  0.8400% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  22.56 +/- 1.75   0.006% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  22.12 +/- 1.29   0.005% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  15.07 +/- 0.54   0.050% *  0.0619% (0.05   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  14.57 +/- 1.16   0.068% *  0.0415% (0.03   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  24.00 +/- 1.63   0.003% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  21.14 +/- 0.64   0.007% *  0.2891% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  18.39 +/- 0.92   0.016% *  0.0807% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  19.09 +/- 1.75   0.014% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  17.24 +/- 1.53   0.026% *  0.0190% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  20.47 +/- 1.38   0.009% *  0.0552% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.386, support = 6.3, residual support = 157.0:
      O   HB2   GLN   30 - HN    GLN   30   3.35 +/- 0.42  51.268% * 87.4520% (0.41  10.0   6.32 157.03) =  89.253%  kept
          HG3   GLN   30 - HN    GLN   30   3.45 +/- 0.32  47.406% * 11.3884% (0.18   1.0   6.11 157.03) =  10.747%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.38 +/- 0.38   1.261% *  0.0048% (0.02   1.0   0.02  39.37) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  15.08 +/- 1.50   0.008% *  0.1119% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  14.68 +/- 1.13   0.009% *  0.0726% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  21.13 +/- 0.92   0.001% *  0.2053% (0.97   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  21.11 +/- 1.16   0.001% *  0.1376% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  12.85 +/- 1.03   0.022% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  22.75 +/- 2.96   0.001% *  0.1204% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.52 +/- 0.58   0.006% *  0.0090% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  23.35 +/- 1.56   0.001% *  0.0875% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  26.16 +/- 2.29   0.000% *  0.1545% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  25.17 +/- 1.09   0.000% *  0.0954% (0.45   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  16.62 +/- 1.42   0.004% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  26.00 +/- 1.58   0.000% *  0.0954% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.07 +/- 0.75   0.002% *  0.0135% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  15.08 +/- 1.10   0.008% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  22.15 +/- 1.94   0.001% *  0.0074% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  23.43 +/- 1.21   0.001% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.43 +/- 1.55   0.000% *  0.0101% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  26.40 +/- 1.83   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.86 +/- 3.08   0.000% *  0.0079% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.914, support = 4.76, residual support = 19.5:
          HB3   GLU-  29 - HN    GLN   30   3.79 +/- 0.25  82.962% * 43.2070% (0.90   4.59  19.50) =  79.628%  kept
          HG3   GLU-  29 - HN    GLN   30   5.15 +/- 0.50  16.329% * 56.1556% (0.98   5.45  19.50) =  20.370%  kept
          QB    GLU-  36 - HN    GLN   30   9.10 +/- 0.37   0.449% *  0.1274% (0.61   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLN   30  13.66 +/- 0.88   0.040% *  0.1106% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   30  14.83 +/- 0.30   0.023% *  0.1274% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99  11.16 +/- 0.56   0.130% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  21.32 +/- 1.04   0.003% *  0.2083% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.26 +/- 0.56   0.046% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  17.50 +/- 0.70   0.009% *  0.0124% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  18.89 +/- 0.79   0.005% *  0.0135% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  23.04 +/- 0.73   0.002% *  0.0137% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  22.92 +/- 1.07   0.002% *  0.0073% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.2, residual support = 92.0:
      O   HB2   GLU-  29 - HN    GLU-  29   2.42 +/- 0.45  99.987% * 99.4303% (0.76  10.0   5.20  91.98) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  15.48 +/- 0.79   0.003% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  16.04 +/- 1.11   0.003% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  13.63 +/- 0.73   0.006% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  22.35 +/- 0.97   0.000% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  25.63 +/- 1.35   0.000% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  17.71 +/- 1.27   0.001% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  23.70 +/- 1.22   0.000% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.769, support = 5.46, residual support = 92.0:
      O   HB3   GLU-  29 - HN    GLU-  29   3.29 +/- 0.46  42.126% * 67.7237% (0.65  10.0   4.92  91.98) =  61.732%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.21 +/- 0.32  55.234% * 32.0191% (0.97   1.0   6.34  91.98) =  38.267%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.29 +/- 0.38   2.580% *  0.0142% (0.14   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  29  10.20 +/- 0.47   0.047% *  0.0357% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  13.21 +/- 0.87   0.010% *  0.0291% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.84 +/- 0.25   0.002% *  0.0908% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  21.30 +/- 1.01   0.001% *  0.0874% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 0.941, support = 3.15, residual support = 157.0:
      O   HG3   GLN   30 - HE21  GLN   30   4.13 +/- 0.06  30.380% * 85.8447% (0.99  10.0   2.87 157.03) =  73.458%  kept
          HB2   GLN   30 - HE21  GLN   30   3.58 +/- 0.52  68.954% * 13.6651% (0.80   1.0   3.94 157.03) =  26.541%  kept
          QB    GLU-  15 - HE21  GLN   30   9.48 +/- 1.91   0.427% *  0.0422% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HE21  GLN   30  11.14 +/- 1.39   0.088% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  11.41 +/- 1.11   0.115% *  0.0267% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  15.56 +/- 1.26   0.012% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  15.85 +/- 2.86   0.012% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  19.61 +/- 1.65   0.003% *  0.0694% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  19.88 +/- 2.07   0.003% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  18.41 +/- 1.77   0.005% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  22.71 +/- 2.82   0.001% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  25.13 +/- 1.68   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.276, support = 0.891, residual support = 1.77:
          QG2   ILE   19 - HE21  GLN   30   3.57 +/- 0.92  81.552% * 21.6053% (0.18   0.75   1.77) =  57.183%  kept
          QD1   ILE   19 - HE21  GLN   30   4.99 +/- 1.07  18.043% * 73.0743% (0.41   1.08   1.77) =  42.789%  kept
          QD1   LEU   98 - HE21  GLN   30  10.91 +/- 1.43   0.252% *  2.9504% (0.90   0.02   0.02) =   0.024%
          QD2   LEU  104 - HE21  GLN   30  14.57 +/- 1.30   0.034% *  1.8625% (0.57   0.02   0.02) =   0.002%
          QG2   THR   46 - HE21  GLN   30  11.59 +/- 1.58   0.119% *  0.5076% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.271, support = 0.892, residual support = 1.77:
          QG2   ILE   19 - HE22  GLN   30   4.32 +/- 0.80  82.182% * 21.3375% (0.18   0.75   1.77) =  59.042%  kept
          QD1   ILE   19 - HE22  GLN   30   5.91 +/- 1.08  16.530% * 73.4079% (0.41   1.10   1.77) =  40.856%  kept
          QD1   LEU   98 - HE22  GLN   30  10.20 +/- 1.32   0.931% *  2.9138% (0.90   0.02   0.02) =   0.091%
          QD2   LEU  104 - HE22  GLN   30  14.24 +/- 1.12   0.097% *  1.8394% (0.57   0.02   0.02) =   0.006%
          QG2   THR   46 - HE22  GLN   30  11.80 +/- 1.03   0.260% *  0.5013% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.68 A violated in 2 structures by 0.11 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.92, residual support = 45.3:
      O   HA    LEU   31 - HN    GLN   32   3.60 +/- 0.03  99.995% * 99.9819% (0.97  10.0   5.92  45.30) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  18.56 +/- 0.68   0.005% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 4.2, residual support = 44.4:
          QG    GLN   32 - HN    GLN   32   3.43 +/- 0.62  99.908% * 98.8505% (0.99   4.20  44.38) = 100.000%  kept
          HB2   GLU- 100 - HN    GLN   32  12.57 +/- 0.83   0.066% *  0.1057% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN   32  15.74 +/- 0.81   0.015% *  0.3802% (0.80   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  17.77 +/- 0.58   0.007% *  0.1320% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  21.05 +/- 0.72   0.003% *  0.3262% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  26.67 +/- 2.11   0.001% *  0.1320% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  28.39 +/- 1.18   0.000% *  0.0733% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.2, residual support = 44.4:
      O   QB    GLN   32 - HN    GLN   32   2.14 +/- 0.11  99.990% * 99.6924% (0.90  10.0   4.20  44.38) = 100.000%  kept
          HG3   GLU- 100 - HN    GLN   32  11.68 +/- 1.42   0.005% *  0.1090% (0.98   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLN   32  11.94 +/- 0.44   0.004% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  19.83 +/- 1.15   0.000% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  17.28 +/- 0.87   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.08, residual support = 5.48:
          HB3   GLN   30 - HN    GLN   32   5.25 +/- 0.22  32.662% * 74.0427% (0.99   2.52   1.52) =  60.857%  kept
          QB    LYS+  33 - HN    GLN   32   4.63 +/- 0.31  67.090% * 23.1842% (0.20   3.95  11.65) =  39.141%  kept
          HB3   LYS+  38 - HN    GLN   32  12.48 +/- 0.12   0.174% *  0.5325% (0.90   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    GLN   32  16.27 +/- 0.73   0.036% *  0.2025% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  18.03 +/- 0.54   0.019% *  0.1832% (0.31   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  25.47 +/- 0.69   0.002% *  0.5885% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  25.89 +/- 1.58   0.002% *  0.4537% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  27.05 +/- 1.04   0.002% *  0.5325% (0.90   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  23.00 +/- 3.35   0.007% *  0.1322% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  22.97 +/- 1.21   0.005% *  0.1480% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 45.3:
          HB2   LEU   31 - HN    GLN   32   2.70 +/- 0.17  99.934% * 97.3699% (0.98   5.92  45.30) = 100.000%  kept
          HG    LEU   98 - HN    GLN   32  11.25 +/- 1.47   0.025% *  0.2170% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLN   32  11.27 +/- 0.56   0.021% *  0.2035% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  14.18 +/- 0.69   0.005% *  0.3347% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  13.50 +/- 0.54   0.007% *  0.2436% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  16.91 +/- 0.61   0.002% *  0.3009% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  15.62 +/- 0.47   0.003% *  0.1765% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  20.18 +/- 1.08   0.001% *  0.3237% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  23.04 +/- 3.42   0.000% *  0.2564% (0.76   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  17.66 +/- 0.45   0.001% *  0.0933% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  23.43 +/- 0.91   0.000% *  0.1633% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  29.28 +/- 1.78   0.000% *  0.3173% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 45.3:
          HB3   LEU   31 - HN    GLN   32   3.82 +/- 0.21  99.649% * 98.9124% (0.98   5.92  45.30) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32  10.26 +/- 0.34   0.290% *  0.1929% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  13.76 +/- 0.50   0.048% *  0.1793% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  22.65 +/- 1.78   0.003% *  0.3289% (0.97   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  18.73 +/- 0.60   0.008% *  0.0850% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  23.21 +/- 1.55   0.002% *  0.0674% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  30.63 +/- 1.72   0.000% *  0.2341% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.31, residual support = 11.6:
          QG    GLN   32 - HN    LYS+  33   4.26 +/- 0.23  99.948% * 98.6299% (0.84   4.31  11.65) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  16.75 +/- 0.76   0.029% *  0.2882% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  18.81 +/- 0.49   0.014% *  0.2882% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  21.42 +/- 0.66   0.006% *  0.5056% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  26.70 +/- 2.35   0.002% *  0.2882% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 11.6:
          QB    GLN   32 - HN    LYS+  33   2.91 +/- 0.07  99.937% * 98.5086% (1.00   4.31  11.65) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  11.05 +/- 1.30   0.044% *  0.3657% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  13.87 +/- 0.37   0.009% *  0.4527% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  17.81 +/- 1.34   0.002% *  0.4216% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  14.64 +/- 1.77   0.008% *  0.0705% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  27.03 +/- 1.10   0.000% *  0.0904% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  29.51 +/- 1.69   0.000% *  0.0904% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.965, support = 5.76, residual support = 152.0:
      O   QB    LYS+  33 - HN    LYS+  33   2.24 +/- 0.28  99.327% * 99.1015% (0.97  10.0   5.76 151.95) = 100.000%  kept
          HB3   GLN   30 - HN    LYS+  33   5.49 +/- 0.29   0.661% *  0.0385% (0.38   1.0   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HN    LYS+  33  10.99 +/- 0.19   0.009% *  0.0581% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.07 +/- 0.68   0.001% *  0.1025% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  16.87 +/- 0.84   0.001% *  0.0858% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.24 +/- 1.08   0.000% *  0.0921% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  18.99 +/- 1.12   0.000% *  0.0822% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  19.75 +/- 0.62   0.000% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  24.62 +/- 1.21   0.000% *  0.1018% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.96 +/- 1.52   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  29.01 +/- 2.38   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  25.17 +/- 2.66   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.55 +/- 0.57   0.000% *  0.0256% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  26.40 +/- 1.11   0.000% *  0.0139% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  29.88 +/- 1.14   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.32, residual support = 152.0:
          HG2   LYS+  33 - HN    LYS+  33   3.50 +/- 0.44  99.992% * 98.5785% (0.61   4.32 151.95) = 100.000%  kept
          QG    LYS+  81 - HN    LYS+  33  19.59 +/- 0.68   0.004% *  0.6950% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  33  19.76 +/- 0.61   0.004% *  0.7266% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.369, support = 5.34, residual support = 144.6:
          HG3   LYS+  33 - HN    LYS+  33   3.35 +/- 1.07  81.664% * 75.8887% (0.38   5.52 151.95) =  95.118%  kept
          HB2   LEU   31 - HN    LYS+  33   4.90 +/- 0.10  17.858% * 17.7993% (0.25   1.95   0.56) =   4.879%  kept
          HG    LEU   98 - HN    LYS+  33  11.97 +/- 1.19   0.107% *  0.6360% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LYS+  33  10.71 +/- 0.70   0.172% *  0.3857% (0.53   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  33  11.38 +/- 0.80   0.126% *  0.3287% (0.45   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LYS+  33  17.10 +/- 0.56   0.010% *  0.6935% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  16.22 +/- 1.68   0.016% *  0.4151% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  17.06 +/- 0.59   0.010% *  0.4447% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  15.86 +/- 0.69   0.016% *  0.2752% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  19.20 +/- 0.66   0.005% *  0.5603% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  21.96 +/- 3.64   0.005% *  0.5603% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  19.46 +/- 1.13   0.005% *  0.3569% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  20.96 +/- 1.71   0.004% *  0.3287% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  23.93 +/- 0.98   0.001% *  0.7076% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  30.64 +/- 1.35   0.000% *  0.4743% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  29.91 +/- 1.78   0.000% *  0.1451% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.559, residual support = 0.559:
          QD2   LEU   31 - HN    LYS+  33   4.91 +/- 0.14  99.472% * 90.3247% (0.65   0.56   0.56) =  99.971%  kept
          QG2   VAL   83 - HN    LYS+  33  12.54 +/- 0.73   0.407% *  4.9505% (0.99   0.02   0.02) =   0.022%
          QD1   ILE   89 - HN    LYS+  33  15.11 +/- 0.51   0.121% *  4.7248% (0.95   0.02   0.02) =   0.006%
    Distance limit 4.53 A violated in 0 structures by 0.38 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 = 0.714, support = 1.99, residual support = 3.49:
          HA    LYS+  33 - HN    ASN   35   3.82 +/- 0.09  36.813% * 64.8450% (0.98   1.80   1.20) =  56.067%  kept
          HA    GLN   32 - HN    ASN   35   3.51 +/- 0.15  60.709% * 30.8017% (0.38   2.23   6.43) =  43.919%  kept
          HA    GLU-  29 - HN    ASN   35   7.95 +/- 0.29   0.459% *  0.7340% (1.00   0.02   0.02) =   0.008%
          HB2   SER   37 - HN    ASN   35   6.35 +/- 0.47   1.933% *  0.1135% (0.15   0.02   0.02) =   0.005%
          HA    VAL   70 - HN    ASN   35  10.80 +/- 0.67   0.075% *  0.5622% (0.76   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ASN   35  15.84 +/- 0.80   0.007% *  0.7292% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  20.66 +/- 1.01   0.002% *  0.7100% (0.97   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  25.08 +/- 1.54   0.000% *  0.5622% (0.76   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  23.19 +/- 0.54   0.001% *  0.3024% (0.41   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  27.65 +/- 0.82   0.000% *  0.4759% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  30.09 +/- 0.96   0.000% *  0.1638% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 51.9:
          HA    GLU-  36 - HN    ASN   35   4.90 +/- 0.02  97.152% * 98.5307% (0.97   3.97  51.92) =  99.997%  kept
          HA    ASN   28 - HN    ASN   35   8.88 +/- 0.30   2.814% *  0.1017% (0.20   0.02   0.02) =   0.003%
          HA    LYS+  81 - HN    ASN   35  22.66 +/- 0.63   0.010% *  0.5129% (1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   35  24.04 +/- 3.68   0.012% *  0.4116% (0.80   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   35  28.66 +/- 2.05   0.003% *  0.3531% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   35  23.69 +/- 0.96   0.008% *  0.0900% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 9 structures by 0.90 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.307, support = 5.84, residual support = 55.2:
      O   HB2   ASN   35 - HN    ASN   35   2.51 +/- 0.53  98.756% * 70.7010% (0.31  10.0   5.87  55.46) =  99.515%  kept
          QE    LYS+  33 - HN    ASN   35   6.26 +/- 0.75   1.193% * 28.4765% (1.00   1.0   2.49   1.20) =   0.484%
          HB2   ASN   28 - HN    ASN   35  10.35 +/- 0.32   0.039% *  0.2211% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  13.28 +/- 1.15   0.008% *  0.0401% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  17.24 +/- 0.64   0.002% *  0.1482% (0.65   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  20.65 +/- 1.66   0.001% *  0.1987% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  21.54 +/- 0.76   0.001% *  0.0571% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  25.51 +/- 0.69   0.000% *  0.1573% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 18.8:
          QB    ALA   34 - HN    ASN   35   2.94 +/- 0.05  98.648% * 97.9970% (0.92   3.31  18.75) =  99.996%  kept
          HG3   LYS+  38 - HN    ASN   35   7.17 +/- 0.46   0.507% *  0.3628% (0.57   0.02   0.02) =   0.002%
          QG2   THR   39 - HN    ASN   35   6.85 +/- 0.52   0.836% *  0.1978% (0.31   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ASN   35  15.09 +/- 0.87   0.006% *  0.6281% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  21.57 +/- 2.15   0.001% *  0.4897% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  18.91 +/- 0.48   0.001% *  0.1268% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  23.15 +/- 0.95   0.000% *  0.1978% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 3.51, residual support = 93.2:
      O   HB2   ASN   28 - HD21  ASN   28   3.93 +/- 0.38  97.221% * 99.6076% (0.97  10.0   3.51  93.25) =  99.997%  kept
          HB2   ASP-  86 - HD21  ASN   28   7.81 +/- 0.92   2.490% *  0.0953% (0.92   1.0   0.02   0.02) =   0.002%
          QE    LYS+  33 - HD21  ASN   28  11.85 +/- 1.69   0.158% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  12.73 +/- 1.04   0.095% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  15.32 +/- 0.60   0.033% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  21.67 +/- 1.83   0.004% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.44 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.24, residual support = 93.2:
      O   HB3   ASN   28 - HD21  ASN   28   3.82 +/- 0.15  98.390% * 99.7665% (0.90  10.0   3.24  93.25) =  99.998%  kept
          HG2   GLN   30 - HD21  ASN   28   7.71 +/- 0.58   1.603% *  0.1110% (1.00   1.0   0.02   8.29) =   0.002%
          QE    LYS+ 121 - HD21  ASN   28  21.42 +/- 1.82   0.004% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  22.95 +/- 2.50   0.003% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.97, residual support = 11.4:
          QG2   VAL   24 - HD21  ASN   28   2.08 +/- 0.36  99.998% * 97.0786% (0.76   1.97  11.41) = 100.000%  kept
          QG2   VAL  108 - HD21  ASN   28  15.03 +/- 1.45   0.001% *  0.3215% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - HD21  ASN   28  20.57 +/- 2.30   0.000% *  1.1564% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  17.95 +/- 0.97   0.000% *  0.1990% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  26.95 +/- 1.89   0.000% *  1.2444% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 5.04, residual support = 46.6:
      O   HA    TRP   27 - HN    ASN   28   3.62 +/- 0.01  99.993% * 99.7755% (1.00  10.0   5.04  46.61) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  20.37 +/- 0.71   0.003% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  21.26 +/- 0.71   0.002% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  25.80 +/- 0.98   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.94, residual support = 11.4:
          HA    VAL   24 - HN    ASN   28   3.86 +/- 0.17  99.966% * 99.3775% (0.92   4.94  11.41) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.53 +/- 0.25   0.024% *  0.1791% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  19.08 +/- 0.56   0.007% *  0.1791% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  21.84 +/- 1.07   0.003% *  0.2643% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.3, residual support = 46.6:
          HB2   TRP   27 - HN    ASN   28   2.94 +/- 0.15  99.984% * 99.2345% (0.80   5.30  46.61) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  13.02 +/- 0.71   0.015% *  0.3908% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  21.98 +/- 0.79   0.001% *  0.3747% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 6.29, residual support = 93.2:
      O   HB2   ASN   28 - HN    ASN   28   2.71 +/- 0.11  99.876% * 99.6076% (0.97  10.0   6.29  93.25) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28   9.79 +/- 1.46   0.065% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  10.27 +/- 0.61   0.039% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  11.75 +/- 0.87   0.017% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  15.97 +/- 0.60   0.003% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  20.59 +/- 1.70   0.001% *  0.1032% (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 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.893, support = 6.04, residual support = 92.9:
      O   HB3   ASN   28 - HN    ASN   28   3.54 +/- 0.02  91.766% * 95.8553% (0.90  10.0   6.06  93.25) =  99.625%  kept
          HG2   GLN   30 - HN    ASN   28   5.42 +/- 0.49   8.230% *  4.0270% (1.00   1.0   0.76   8.29) =   0.375%
          QE    LYS+ 121 - HN    ASN   28  21.72 +/- 1.97   0.002% *  0.0776% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  22.58 +/- 2.42   0.002% *  0.0401% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1127 (2.19, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.461, support = 2.33, residual support = 21.6:
          HG3   GLU-  29 - HN    ASN   28   5.50 +/- 0.36  50.517% * 58.9726% (0.20   3.44  33.00) =  62.391%  kept
          HB2   GLU-  25 - HN    ASN   28   5.51 +/- 0.13  48.785% * 36.8004% (0.90   0.47   2.77) =  37.599%  kept
          HB2   MET   96 - HN    ASN   28  11.79 +/- 0.77   0.543% *  0.5342% (0.31   0.02   0.02) =   0.006%
          QG    GLN   17 - HN    ASN   28  17.16 +/- 1.48   0.065% *  1.3860% (0.80   0.02   0.02) =   0.002%
          HB    VAL   70 - HN    ASN   28  17.41 +/- 0.68   0.050% *  1.2569% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ASN   28  17.94 +/- 0.24   0.040% *  1.0499% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.54 A violated in 0 structures by 0.33 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.464, support = 2.71, residual support = 11.4:
          QG2   VAL   24 - HN    ASN   28   3.66 +/- 0.18  87.926% * 55.5465% (0.45   2.83  11.41) =  90.409%  kept
          QG1   VAL   24 - HN    ASN   28   5.14 +/- 0.25  12.063% * 42.9482% (0.61   1.62  11.41) =   9.591%  kept
          QG1   VAL  107 - HN    ASN   28  18.01 +/- 0.64   0.006% *  0.8086% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  20.19 +/- 2.28   0.004% *  0.2704% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  28.70 +/- 1.72   0.000% *  0.4264% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (0.61, 8.80, 115.33 ppm):
    7 chemical-shift based assignments, quality = 0.643, support = 1.77, residual support = 0.614:
          QG1   VAL   83 - HN    ASN   28   5.45 +/- 0.60  36.685% * 39.1178% (1.00   0.96   0.49) =  43.822%  kept
          QD2   LEU   80 - HN    ASN   28   5.67 +/- 0.67  30.457% * 43.7194% (0.45   2.38   0.86) =  40.663%  kept
          QD1   LEU   73 - HN    ASN   28   5.58 +/- 0.53  32.403% * 15.6742% (0.15   2.48   0.32) =  15.509%  kept
          QG2   ILE   89 - HN    ASN   28  11.83 +/- 0.53   0.318% *  0.4635% (0.57   0.02   0.02) =   0.005%
          QD1   LEU  104 - HN    ASN   28  15.92 +/- 1.11   0.057% *  0.5623% (0.69   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ASN   28  16.06 +/- 1.98   0.062% *  0.1263% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  19.34 +/- 1.54   0.018% *  0.3365% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 3.12, residual support = 25.7:
          HA    VAL   24 - HN    TRP   27   3.23 +/- 0.10  99.979% * 99.0506% (0.99   3.12  25.75) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  16.99 +/- 0.28   0.005% *  0.4652% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  15.92 +/- 0.73   0.007% *  0.0785% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  17.54 +/- 0.59   0.004% *  0.1122% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  21.42 +/- 1.12   0.001% *  0.1977% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  19.17 +/- 1.19   0.003% *  0.0139% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  27.39 +/- 0.74   0.000% *  0.0575% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  26.26 +/- 1.46   0.000% *  0.0244% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 5.25, residual support = 98.0:
      O   HB2   TRP   27 - HN    TRP   27   2.09 +/- 0.05  99.782% * 99.8160% (0.99  10.0   5.25  97.98) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   6.87 +/- 1.06   0.175% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   8.01 +/- 0.95   0.039% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  11.75 +/- 0.70   0.003% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  21.16 +/- 0.80   0.000% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  16.29 +/- 0.64   0.000% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 5.54, residual support = 98.0:
      O   HB3   TRP   27 - HN    TRP   27   2.94 +/- 0.12  99.948% * 99.6559% (0.99  10.0   5.54  97.98) = 100.000%  kept
          HB2   PHE   97 - HN    TRP   27  17.56 +/- 0.81   0.002% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  12.97 +/- 1.57   0.020% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  16.53 +/- 0.93   0.004% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  17.30 +/- 0.57   0.003% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  18.68 +/- 0.86   0.002% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  15.71 +/- 0.60   0.005% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  16.48 +/- 1.06   0.004% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  14.85 +/- 1.52   0.008% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  19.06 +/- 0.40   0.001% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  17.96 +/- 1.77   0.002% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  21.89 +/- 0.71   0.001% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  19.71 +/- 2.39   0.001% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  28.19 +/- 0.74   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.749, residual support = 1.5:
          HB3   CYS   21 - HN    TRP   27   3.88 +/- 0.63  99.762% * 96.3512% (0.53   0.75   1.50) =  99.997%  kept
          HG2   MET   96 - HN    TRP   27  13.50 +/- 0.64   0.081% *  2.9647% (0.61   0.02   0.02) =   0.003%
          HG2   MET   96 - HN    ALA   91  12.91 +/- 0.89   0.142% *  0.3663% (0.07   0.02   0.02) =   0.001%
          HB3   CYS   21 - HN    ALA   91  17.77 +/- 1.06   0.015% *  0.3178% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 1 structures by 0.12 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.42, residual support = 22.1:
          QG2   THR   26 - HN    TRP   27   2.70 +/- 0.39  99.897% * 97.5722% (0.98   4.42  22.09) = 100.000%  kept
          HB2   LYS+  74 - HN    TRP   27  10.70 +/- 0.67   0.040% *  0.3608% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    TRP   27  13.15 +/- 0.72   0.012% *  0.0789% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  20.24 +/- 1.57   0.001% *  0.4496% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  16.32 +/- 0.48   0.003% *  0.0892% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  13.49 +/- 1.88   0.020% *  0.0110% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  15.47 +/- 0.76   0.005% *  0.0446% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  22.20 +/- 0.82   0.000% *  0.3444% (0.76   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  23.75 +/- 1.36   0.000% *  0.4496% (1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  19.20 +/- 0.91   0.001% *  0.1253% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  13.55 +/- 1.54   0.014% *  0.0098% (0.02   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  16.60 +/- 0.72   0.002% *  0.0546% (0.12   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  20.06 +/- 1.87   0.001% *  0.0556% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  23.53 +/- 1.46   0.000% *  0.1253% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  23.55 +/- 1.42   0.000% *  0.0556% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  25.77 +/- 1.55   0.000% *  0.0892% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  23.02 +/- 1.87   0.000% *  0.0426% (0.09   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  20.87 +/- 1.25   0.001% *  0.0155% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  20.85 +/- 1.64   0.001% *  0.0155% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  22.59 +/- 0.79   0.000% *  0.0110% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.858, support = 2.61, residual support = 9.75:
          QD2   LEU   80 - HN    TRP   27   4.40 +/- 0.83  55.458% * 41.0664% (0.76   2.62   6.41) =  56.313%  kept
          QD1   LEU   73 - HN    TRP   27   4.99 +/- 0.82  32.147% * 53.6908% (1.00   2.62  14.30) =  42.677%  kept
          QG1   VAL   83 - HN    TRP   27   5.68 +/- 0.59  10.933% *  3.7318% (0.15   1.18   3.93) =   1.009%  kept
          QG2   VAL   41 - HN    TRP   27   8.59 +/- 0.67   0.833% *  0.0555% (0.14   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    TRP   27  15.48 +/- 1.99   0.031% *  0.4094% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  16.31 +/- 1.88   0.022% *  0.2489% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  11.78 +/- 0.59   0.119% *  0.0387% (0.09   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  12.79 +/- 1.77   0.095% *  0.0406% (0.10   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.82 +/- 1.18   0.015% *  0.2159% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  14.19 +/- 1.82   0.054% *  0.0506% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  18.72 +/- 1.51   0.008% *  0.3286% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  14.65 +/- 0.90   0.034% *  0.0506% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91  10.84 +/- 0.66   0.197% *  0.0078% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  16.14 +/- 1.90   0.024% *  0.0308% (0.07   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  18.37 +/- 1.37   0.009% *  0.0267% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  15.58 +/- 0.70   0.023% *  0.0069% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.93, support = 0.02, residual support = 0.792:
          QG2   VAL   75 - HN    TRP   27   6.45 +/- 0.99  82.665% * 43.3149% (0.95   0.02   0.83) =  94.976%  kept
          QG2   VAL   42 - HN    TRP   27  12.10 +/- 0.59   2.392% * 45.6877% (1.00   0.02   0.02) =   2.898%  kept
          QG2   VAL   75 - HN    ALA   91   9.55 +/- 0.98  14.312% *  5.3521% (0.12   0.02   0.02) =   2.032%  kept
          QG2   VAL   42 - HN    ALA   91  15.10 +/- 0.76   0.632% *  5.6453% (0.12   0.02   0.02) =   0.095%
    Distance limit 4.40 A violated in 16 structures by 1.80 A, eliminated.
    Peak unassigned.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 0.972, residual support = 5.67:
          QG1   VAL   83 - HE1   TRP   27   3.17 +/- 0.95  89.304% * 15.1790% (0.41   0.92   3.93) =  75.478%  kept
          QD1   LEU   73 - HE1   TRP   27   6.32 +/- 0.67   5.936% * 43.2980% (0.87   1.24  14.30) =  14.310%  kept
          QD2   LEU   80 - HE1   TRP   27   6.00 +/- 0.93   4.689% * 39.1050% (0.99   0.98   6.41) =  10.209%  kept
          QD1   LEU  104 - HE1   TRP   27  13.65 +/- 1.36   0.031% *  0.6967% (0.87   0.02   0.02) =   0.001%
          QD1   LEU   63 - HE1   TRP   27  14.30 +/- 2.14   0.020% *  0.6967% (0.87   0.02   0.02) =   0.001%
          QD2   LEU  115 - HE1   TRP   27  16.86 +/- 1.79   0.007% *  0.8014% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HE1   TRP   27  15.24 +/- 2.10   0.013% *  0.2233% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.681, support = 1.29, residual support = 11.4:
          QG2   VAL   43 - HE1   TRP   27   4.58 +/- 0.72  46.480% * 58.0023% (0.99   0.80   7.22) =  54.533%  kept
          QD2   LEU   31 - HE1   TRP   27   4.40 +/- 0.72  53.520% * 41.9977% (0.31   1.86  16.52) =  45.467%  kept
    Distance limit 3.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.5, residual support = 28.7:
          HB2   GLU-  25 - HN    THR   26   2.64 +/- 0.13  98.035% * 98.9411% (0.90   5.50  28.65) =  99.998%  kept
          HG3   GLU-  29 - HN    THR   26   5.19 +/- 0.41   1.958% *  0.0794% (0.20   0.02   1.36) =   0.002%
          QG    GLN   17 - HN    THR   26  16.76 +/- 1.49   0.002% *  0.3212% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  14.87 +/- 0.69   0.003% *  0.1238% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  19.40 +/- 0.88   0.001% *  0.2913% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  20.69 +/- 0.30   0.000% *  0.2433% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 28.7:
          HB3   GLU-  25 - HN    THR   26   3.22 +/- 0.15  98.271% * 95.5025% (0.57   5.26  28.65) =  99.991%  kept
          HG3   GLN   30 - HN    THR   26   7.07 +/- 0.78   1.181% *  0.5355% (0.84   0.02   4.91) =   0.007%
          HB2   GLN   30 - HN    THR   26   8.15 +/- 0.73   0.463% *  0.3373% (0.53   0.02   4.91) =   0.002%
          HB    ILE   19 - HN    THR   26  11.06 +/- 0.65   0.068% *  0.1269% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  16.03 +/- 1.25   0.008% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  17.44 +/- 0.54   0.004% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  20.41 +/- 1.08   0.002% *  0.3889% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  24.00 +/- 1.84   0.001% *  0.6397% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  22.53 +/- 1.26   0.001% *  0.1979% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  26.23 +/- 1.23   0.000% *  0.3373% (0.53   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  25.13 +/- 2.54   0.001% *  0.1599% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  29.27 +/- 1.18   0.000% *  0.5355% (0.84   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  25.01 +/- 1.23   0.001% *  0.1599% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  24.53 +/- 0.97   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 4.16, residual support = 35.0:
          QG2   THR   26 - HN    THR   26   3.34 +/- 0.20  99.946% * 97.9513% (0.95   4.16  35.04) = 100.000%  kept
          HB2   LYS+  74 - HN    THR   26  12.35 +/- 0.79   0.047% *  0.4930% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   26  18.51 +/- 0.49   0.004% *  0.2230% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   26  21.92 +/- 1.60   0.002% *  0.4461% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  26.31 +/- 1.36   0.000% *  0.4155% (0.84   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  24.04 +/- 0.79   0.001% *  0.2230% (0.45   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  24.99 +/- 0.98   0.001% *  0.1240% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  25.65 +/- 1.63   0.001% *  0.1240% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.578, support = 0.0199, residual support = 0.0199:
          HB3   LEU   80 - HN    THR   26   8.34 +/- 1.05  64.140% *  8.4695% (0.53   0.02   0.02) =  59.338%  kept
          HB2   LEU   31 - HN    THR   26   9.76 +/- 0.27  26.734% * 11.0578% (0.69   0.02   0.02) =  32.291%  kept
          QG2   THR   77 - HN    THR   26  12.69 +/- 0.61   5.393% *  7.8357% (0.49   0.02   0.02) =   4.616%  kept
          QB    ALA   88 - HN    THR   26  16.74 +/- 0.47   0.990% * 13.9639% (0.87   0.02   0.02) =   1.509%  kept
          HB3   ASP-  44 - HN    THR   26  15.49 +/- 0.78   1.776% *  4.9686% (0.31   0.02   0.02) =   0.964%  kept
          HG2   LYS+  38 - HN    THR   26  20.23 +/- 0.36   0.328% * 16.0623% (1.00   0.02   0.02) =   0.575%  kept
          HG2   LYS+  99 - HN    THR   26  21.05 +/- 0.45   0.255% * 15.5357% (0.97   0.02   0.02) =   0.433%
          HB2   LEU   63 - HN    THR   26  21.15 +/- 1.27   0.277% *  6.6181% (0.41   0.02   0.02) =   0.201%
          HG2   LYS+ 111 - HN    THR   26  29.53 +/- 1.61   0.036% * 12.3026% (0.76   0.02   0.02) =   0.048%
          QB    ALA  124 - HN    THR   26  26.99 +/- 2.67   0.072% *  3.1858% (0.20   0.02   0.02) =   0.025%
    Distance limit 4.46 A violated in 20 structures by 3.21 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 = 33.9:
      O   HA    VAL   24 - HN    GLU-  25   3.60 +/- 0.02  99.993% * 99.8455% (0.92  10.0   5.66  33.87) = 100.000%  kept
          HA    LYS+  38 - HN    GLU-  25  20.11 +/- 0.28   0.003% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    GLU-  25  21.19 +/- 0.61   0.002% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  25.50 +/- 1.10   0.001% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 6.06, residual support = 125.9:
      O   HB2   GLU-  25 - HN    GLU-  25   2.83 +/- 0.44  98.810% * 99.5608% (0.61  10.0   6.06 125.88) =  99.999%  kept
          HG3   GLU-  29 - HN    GLU-  25   6.57 +/- 0.65   0.826% *  0.0736% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  25   7.99 +/- 0.66   0.359% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  18.98 +/- 1.39   0.002% *  0.0799% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  18.18 +/- 1.32   0.002% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.42 +/- 0.28   0.001% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  21.34 +/- 0.77   0.001% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.87, residual support = 125.9:
      O   HB3   GLU-  25 - HN    GLU-  25   2.62 +/- 0.72  99.778% * 98.7761% (0.57  10.0   5.87 125.88) = 100.000%  kept
          HG3   GLN   30 - HN    GLU-  25   9.54 +/- 0.66   0.118% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLU-  25  10.22 +/- 0.67   0.083% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  13.51 +/- 0.69   0.015% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  18.43 +/- 1.20   0.002% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  19.85 +/- 0.52   0.001% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  21.46 +/- 1.12   0.001% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  26.32 +/- 1.67   0.000% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  22.16 +/- 1.27   0.001% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  25.58 +/- 2.50   0.001% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  29.40 +/- 1.26   0.000% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  27.41 +/- 1.26   0.000% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  25.22 +/- 1.31   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  26.75 +/- 0.93   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.33, residual support = 5.98:
          QG2   THR   23 - HN    GLU-  25   4.34 +/- 0.11  99.539% * 98.6432% (0.73   3.33   5.98) =  99.998%  kept
          QG2   THR   77 - HN    GLU-  25  12.14 +/- 0.71   0.223% *  0.5917% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  12.54 +/- 0.29   0.175% *  0.3058% (0.38   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    GLU-  25  15.51 +/- 0.59   0.050% *  0.2779% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  19.97 +/- 2.37   0.013% *  0.1814% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.58, residual support = 33.9:
          QG2   VAL   24 - HN    GLU-  25   3.35 +/- 0.33  99.996% * 99.2406% (0.97   4.58  33.87) = 100.000%  kept
          HG    LEU   63 - HN    GLU-  25  23.22 +/- 2.24   0.001% *  0.3896% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLU-  25  20.39 +/- 0.75   0.002% *  0.1685% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  29.44 +/- 2.10   0.000% *  0.2013% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.29, residual support = 125.9:
          HG2   GLU-  25 - HN    GLU-  25   3.58 +/- 0.54  99.968% * 99.4326% (0.97   5.29 125.88) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  14.88 +/- 0.79   0.026% *  0.1203% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  19.52 +/- 0.76   0.005% *  0.1897% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  29.48 +/- 1.43   0.000% *  0.1602% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  30.73 +/- 1.42   0.000% *  0.0972% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 63.0:
      O   HA    VAL   24 - HN    VAL   24   2.77 +/- 0.04  99.999% * 99.8455% (0.92  10.0   4.04  63.02) = 100.000%  kept
          HA    ALA   61 - HN    VAL   24  19.95 +/- 0.59   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  21.19 +/- 0.30   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  25.25 +/- 1.05   0.000% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 4.38, residual support = 63.0:
      O   HB    VAL   24 - HN    VAL   24   2.45 +/- 0.22  99.310% * 99.7135% (0.95  10.0   4.38  63.02) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   6.25 +/- 0.86   0.681% *  0.0163% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  11.96 +/- 0.34   0.008% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  21.99 +/- 0.97   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  26.04 +/- 1.26   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.76, residual support = 17.3:
          QG2   THR   23 - HN    VAL   24   3.92 +/- 0.27  99.409% * 99.0449% (0.73   4.76  17.30) =  99.998%  kept
          QG2   THR   77 - HN    VAL   24  10.02 +/- 0.74   0.452% *  0.4165% (0.73   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    VAL   24  13.26 +/- 0.28   0.072% *  0.2153% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  14.10 +/- 0.51   0.053% *  0.1957% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  18.26 +/- 2.30   0.014% *  0.1277% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.884, support = 3.81, residual support = 63.0:
          QG1   VAL   24 - HN    VAL   24   2.14 +/- 0.33  94.058% * 76.8060% (0.90   3.79  63.02) =  98.208%  kept
          QG2   VAL   24 - HN    VAL   24   3.65 +/- 0.09   5.939% * 22.1950% (0.20   4.97  63.02) =   1.792%  kept
          HB3   LEU   31 - HN    VAL   24  12.95 +/- 0.27   0.003% *  0.1005% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  19.14 +/- 0.80   0.000% *  0.4476% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  28.57 +/- 2.02   0.000% *  0.3616% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  23.91 +/- 1.46   0.000% *  0.0894% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (0.58, 9.21, 123.27 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 9.65:
          QD2   LEU   80 - HN    VAL   24   2.64 +/- 0.56  94.580% * 96.4506% (0.76   3.00   9.65) =  99.991%  kept
          QG1   VAL   83 - HN    VAL   24   4.76 +/- 0.57   5.201% *  0.1298% (0.15   0.02   0.78) =   0.007%
          QD1   LEU   73 - HN    VAL   24   8.21 +/- 0.84   0.192% *  0.8395% (1.00   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    VAL   24  11.59 +/- 0.60   0.021% *  0.1139% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    VAL   24  17.53 +/- 1.99   0.002% *  0.8395% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    VAL   24  18.72 +/- 1.79   0.002% *  0.5103% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  19.99 +/- 1.60   0.001% *  0.6737% (0.80   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  19.49 +/- 1.25   0.001% *  0.4427% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 5.08, residual support = 21.2:
          HB2   HIS   22 - HN    THR   23   4.54 +/- 0.06  99.975% * 99.6162% (0.99   5.08  21.23) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  20.59 +/- 0.93   0.012% *  0.3303% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  21.47 +/- 2.56   0.012% *  0.0535% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.68, residual support = 21.2:
          HB3   HIS   22 - HN    THR   23   4.17 +/- 0.22  99.966% * 99.7200% (0.76   5.68  21.23) = 100.000%  kept
          HD3   ARG+  54 - HN    THR   23  21.74 +/- 3.21   0.014% *  0.1890% (0.41   0.02   0.02) =   0.000%
          HB2   PHE   95 - HN    THR   23  17.53 +/- 0.62   0.020% *  0.0910% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 1.89, residual support = 3.94:
          HB3   CYS   21 - HN    THR   23   3.49 +/- 0.52 100.000% *100.0000% (1.00   1.89   3.94) = 100.000%  kept
    Distance limit 4.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 2.08, residual support = 14.1:
          QG2   THR   26 - HN    THR   23   3.32 +/- 0.58  99.263% * 94.8692% (0.73   2.08  14.11) =  99.991%  kept
          HB2   LYS+  74 - HN    THR   23   8.76 +/- 0.88   0.719% *  1.1892% (0.95   0.02   0.02) =   0.009%
          HB3   LEU   40 - HN    THR   23  18.26 +/- 0.61   0.006% *  0.9129% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   23  19.38 +/- 1.51   0.005% *  0.8133% (0.65   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  22.52 +/- 1.72   0.002% *  0.6119% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  23.20 +/- 0.95   0.002% *  0.6119% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  24.64 +/- 1.40   0.001% *  0.7117% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  22.16 +/- 0.86   0.002% *  0.2799% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.75, residual support = 18.7:
          QG2   THR   23 - HN    THR   23   3.03 +/- 0.60  99.813% * 97.7023% (0.41   4.75  18.71) =  99.998%  kept
          QG2   THR   77 - HN    THR   23   9.75 +/- 0.66   0.141% *  0.9651% (0.97   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    THR   23  15.41 +/- 0.51   0.009% *  0.6469% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    THR   23  12.26 +/- 0.44   0.035% *  0.1543% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  22.12 +/- 0.44   0.001% *  0.3087% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  21.60 +/- 0.71   0.001% *  0.2226% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.296, support = 2.33, residual support = 7.56:
          QD2   LEU   80 - HN    THR   23   3.24 +/- 0.94  65.349% * 41.7994% (0.20   2.82   7.56) =  60.922%  kept
          QD1   LEU   80 - HN    THR   23   3.70 +/- 0.58  32.941% * 53.1502% (0.45   1.58   7.56) =  39.048%  kept
          QD1   LEU   73 - HN    THR   23   6.27 +/- 0.96   1.646% *  0.7890% (0.53   0.02   0.02) =   0.029%
          QG2   VAL   41 - HN    THR   23  10.86 +/- 0.76   0.035% *  0.9701% (0.65   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    THR   23  12.34 +/- 1.21   0.018% *  0.6723% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    THR   23  16.51 +/- 1.68   0.004% *  1.4963% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    THR   23  15.39 +/- 1.88   0.006% *  0.7890% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    THR   23  18.21 +/- 1.53   0.002% *  0.3339% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 34.6:
      O   HB3   HIS   22 - HN    HIS   22   2.59 +/- 0.15  99.999% * 99.9260% (0.98  10.0   3.46  34.64) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  20.33 +/- 3.44   0.001% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.263, support = 6.45, residual support = 165.9:
          HG3   ARG+  54 - HN    ARG+  54   3.44 +/- 0.60  82.362% * 94.9563% (0.26   6.46 166.11) =  99.848%  kept
          QB    ALA   57 - HN    ARG+  54   5.14 +/- 1.02  13.901% *  0.8082% (0.72   0.02   0.02) =   0.143%
          QB    ALA   57 - HN    ASP-  62   6.38 +/- 0.42   3.173% *  0.1512% (0.14   0.02   0.02) =   0.006%
          HD2   LYS+  74 - HN    ARG+  54  11.68 +/- 1.47   0.221% *  0.4741% (0.42   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ASP-  62   9.80 +/- 1.06   0.231% *  0.0887% (0.08   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ARG+  54  15.83 +/- 1.38   0.014% *  0.8468% (0.76   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  12.84 +/- 0.94   0.047% *  0.1940% (0.17   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  13.52 +/- 1.45   0.038% *  0.0550% (0.05   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  22.75 +/- 1.06   0.001% *  1.0366% (0.93   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  18.42 +/- 1.16   0.005% *  0.1940% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  24.92 +/- 1.63   0.001% *  1.0366% (0.93   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  18.67 +/- 1.33   0.005% *  0.1585% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.41, residual support = 28.9:
      O   HB2   CYS   21 - HN    CYS   21   2.78 +/- 0.34  99.921% * 99.8975% (0.90  10.0   3.41  28.93) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  11.00 +/- 0.55   0.036% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.72 +/- 1.20   0.036% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  14.60 +/- 0.81   0.006% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  20.26 +/- 1.00   0.001% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.97 +/- 0.97   0.000% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.33, residual support = 28.9:
      O   HB3   CYS   21 - HN    CYS   21   3.57 +/- 0.33  99.938% * 99.8170% (0.53  10.0   3.33  28.93) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  14.52 +/- 0.69   0.025% *  0.1151% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  13.94 +/- 0.94   0.035% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  21.33 +/- 0.73   0.002% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.269, support = 0.0194, residual support = 0.0194:
          HG    LEU  123 - HN    ILE  119   6.96 +/- 1.08  40.624% *  3.5886% (0.32   0.02   0.02) =  58.683%  kept
          QB    LYS+  66 - HN    ILE  119   8.35 +/- 1.39  18.611% *  2.1815% (0.19   0.02   0.02) =  16.342%  kept
          HB3   ASP- 105 - HN    ILE  119   7.29 +/- 0.99  31.829% *  1.1101% (0.10   0.02   0.02) =  14.223%  kept
          HB    VAL   41 - HN    CYS   21  13.50 +/- 1.12   0.748% *  9.1141% (0.80   0.02   0.02) =   2.743%  kept
          QB    LYS+  33 - HN    CYS   21  11.74 +/- 0.55   1.523% *  2.5341% (0.22   0.02   0.02) =   1.554%  kept
          HG12  ILE  103 - HN    ILE  119  14.86 +/- 1.74   0.741% *  3.3201% (0.29   0.02   0.02) =   0.991%  kept
          HG2   PRO   93 - HN    ILE  119  11.92 +/- 1.60   1.951% *  1.2268% (0.11   0.02   0.02) =   0.963%  kept
          QB    LYS+  66 - HN    CYS   21  16.18 +/- 0.64   0.223% *  6.9036% (0.61   0.02   0.02) =   0.621%  kept
          HG12  ILE  103 - HN    CYS   21  17.87 +/- 1.47   0.130% * 10.5070% (0.92   0.02   0.02) =   0.551%  kept
          HG3   PRO   68 - HN    ILE  119  14.39 +/- 2.64   0.857% *  1.4786% (0.13   0.02   0.02) =   0.510%  kept
          HB    ILE  103 - HN    ILE  119  15.18 +/- 1.71   0.787% *  1.3499% (0.12   0.02   0.02) =   0.428%
          HB    VAL   41 - HN    ILE  119  15.55 +/- 1.32   0.300% *  2.8799% (0.25   0.02   0.02) =   0.348%
          HG2   ARG+  54 - HN    CYS   21  17.50 +/- 2.69   0.219% *  3.8825% (0.34   0.02   0.02) =   0.342%
          HB3   PRO   52 - HN    ILE  119  16.90 +/- 1.82   0.232% *  3.5886% (0.32   0.02   0.02) =   0.336%
          HB3   PRO   52 - HN    CYS   21  19.77 +/- 1.15   0.069% * 11.3569% (1.00   0.02   0.02) =   0.317%
          HG2   PRO   93 - HN    CYS   21  17.79 +/- 1.20   0.131% *  3.8825% (0.34   0.02   0.02) =   0.204%
          HG3   PRO   68 - HN    CYS   21  19.57 +/- 1.13   0.073% *  4.6793% (0.41   0.02   0.02) =   0.137%
          HB3   GLN   90 - HN    CYS   21  17.32 +/- 1.76   0.164% *  1.9934% (0.18   0.02   0.02) =   0.131%
          HG    LEU  123 - HN    CYS   21  23.09 +/- 1.93   0.027% * 11.3569% (1.00   0.02   0.02) =   0.125%
          HB3   ASP- 105 - HN    CYS   21  19.20 +/- 0.85   0.079% *  3.5131% (0.31   0.02   0.02) =   0.112%
          HB    ILE  103 - HN    CYS   21  20.04 +/- 0.96   0.061% *  4.2718% (0.38   0.02   0.02) =   0.105%
          HG2   ARG+  54 - HN    ILE  119  17.46 +/- 1.31   0.159% *  1.2268% (0.11   0.02   0.02) =   0.079%
          QB    LYS+ 102 - HN    ILE  119  15.89 +/- 1.35   0.300% *  0.6299% (0.06   0.02   0.02) =   0.076%
          QB    LYS+ 102 - HN    CYS   21  19.86 +/- 1.11   0.065% *  1.9934% (0.18   0.02   0.02) =   0.052%
          QB    LYS+  33 - HN    ILE  119  20.97 +/- 1.14   0.047% *  0.8007% (0.07   0.02   0.02) =   0.015%
          HB3   GLN   90 - HN    ILE  119  21.01 +/- 1.07   0.048% *  0.6299% (0.06   0.02   0.02) =   0.012%
    Distance limit 3.53 A violated in 20 structures by 2.25 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.538, support = 5.58, residual support = 145.2:
          HG13  ILE  119 - HN    ILE  119   3.26 +/- 0.49  59.112% * 41.7305% (0.31   7.17 258.82) =  53.485%  kept
          QB    ALA   20 - HN    CYS   21   3.54 +/- 0.02  37.862% * 56.6586% (0.80   3.76  14.63) =  46.512%  kept
          QG2   VAL  107 - HN    ILE  119   6.02 +/- 0.70   2.186% *  0.0264% (0.07   0.02   0.11) =   0.001%
          HG2   LYS+ 121 - HN    ILE  119   7.16 +/- 0.34   0.563% *  0.0488% (0.13   0.02   5.93) =   0.001%
          QG1   VAL   24 - HN    CYS   21   9.10 +/- 0.52   0.143% *  0.1160% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119  10.86 +/- 1.62   0.107% *  0.0488% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  13.57 +/- 0.54   0.012% *  0.3628% (0.97   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  17.63 +/- 1.26   0.003% *  0.3685% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  15.04 +/- 0.55   0.006% *  0.0837% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.10 +/- 0.80   0.002% *  0.0951% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  20.79 +/- 1.38   0.001% *  0.1147% (0.30   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  23.27 +/- 1.95   0.001% *  0.1546% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.42 +/- 1.08   0.000% *  0.1546% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  21.63 +/- 1.14   0.001% *  0.0367% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (0.76, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.526, support = 1.6, residual support = 6.16:
          QD2   LEU   73 - HN    CYS   21   5.18 +/- 0.50  45.494% * 73.8393% (0.57   1.72   7.01) =  87.438%  kept
          QD1   ILE   19 - HN    CYS   21   5.70 +/- 0.66  29.984% * 14.6302% (0.22   0.87   0.26) =  11.418%  kept
          QG2   VAL   18 - HN    CYS   21   6.94 +/- 0.60   8.418% *  4.0322% (0.65   0.08   0.02) =   0.884%  kept
          QG2   THR   46 - HN    CYS   21   7.39 +/- 0.78   6.020% *  0.7987% (0.53   0.02   0.02) =   0.125%
          QG1   VAL   43 - HN    CYS   21   8.61 +/- 0.78   2.245% *  1.3168% (0.87   0.02   0.02) =   0.077%
          QD1   ILE   56 - HN    ILE  119   7.64 +/- 1.00   5.731% *  0.1481% (0.10   0.02   0.02) =   0.022%
          HG    LEU   31 - HN    CYS   21  11.27 +/- 0.61   0.413% *  1.1024% (0.73   0.02   0.02) =   0.012%
          QG1   VAL   41 - HN    CYS   21  12.15 +/- 0.91   0.272% *  1.4880% (0.98   0.02   0.02) =   0.011%
          QD1   ILE   56 - HN    CYS   21  14.36 +/- 1.92   0.353% *  0.4686% (0.31   0.02   0.02) =   0.004%
          QG1   VAL   43 - HN    ILE  119  12.28 +/- 0.90   0.266% *  0.4161% (0.27   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    ILE  119  11.82 +/- 0.73   0.329% *  0.3103% (0.20   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    ILE  119  14.18 +/- 1.15   0.113% *  0.4702% (0.31   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE  119  13.71 +/- 1.49   0.175% *  0.2524% (0.17   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    ILE  119  13.77 +/- 1.17   0.142% *  0.2716% (0.18   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE  119  20.24 +/- 1.54   0.014% *  0.3483% (0.23   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  119  17.69 +/- 1.30   0.031% *  0.1068% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.365, support = 3.79, residual support = 6.58:
          QD1   LEU   73 - HN    CYS   21   5.17 +/- 0.75  12.824% * 76.8637% (0.53   4.29   7.01) =  61.387%  kept
          QD2   LEU  115 - HN    ILE  119   4.13 +/- 0.69  46.888% *  9.1197% (0.07   3.81   8.14) =  26.631%  kept
          QD1   LEU   63 - HN    ILE  119   5.21 +/- 1.08  18.846% *  8.0891% (0.17   1.43   0.93) =   9.494%  kept
          QD2   LEU   63 - HN    ILE  119   5.54 +/- 1.13  12.395% *  3.0628% (0.32   0.29   0.93) =   2.364%  kept
          QD1   LEU   80 - HN    CYS   21   6.37 +/- 0.78   3.883% *  0.3055% (0.45   0.02   0.02) =   0.074%
          QD2   LEU   80 - HN    CYS   21   6.30 +/- 1.19   4.646% *  0.1348% (0.20   0.02   0.02) =   0.039%
          QG2   VAL   41 - HN    CYS   21  10.21 +/- 0.60   0.172% *  0.4408% (0.65   0.02   0.02) =   0.005%
          QD2   LEU   63 - HN    CYS   21  13.21 +/- 1.51   0.040% *  0.6798% (1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    CYS   21  12.14 +/- 1.74   0.075% *  0.3585% (0.53   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    CYS   21  11.77 +/- 0.98   0.074% *  0.3055% (0.45   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    ILE  119  12.44 +/- 1.76   0.087% *  0.0965% (0.14   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    ILE  119  13.96 +/- 0.87   0.027% *  0.1393% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  15.26 +/- 1.37   0.019% *  0.1517% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  15.04 +/- 0.95   0.017% *  0.1133% (0.17   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  19.08 +/- 1.47   0.004% *  0.0965% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  19.16 +/- 1.08   0.004% *  0.0426% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.283, support = 5.76, residual support = 39.0:
          HN    THR  118 - HN    ILE  119   2.65 +/- 0.13  97.060% * 54.4942% (0.28   5.84  39.54) =  97.815%  kept
          HN    GLN  116 - HN    ILE  119   4.85 +/- 0.35   2.712% * 43.5429% (0.53   2.46  14.35) =   2.184%  kept
          HN    GLU- 114 - HN    ILE  119   7.96 +/- 0.42   0.136% *  0.6355% (0.95   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ILE  119   9.13 +/- 0.74   0.072% *  0.0909% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  14.64 +/- 1.39   0.004% *  0.6355% (0.95   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  12.75 +/- 0.53   0.009% *  0.2008% (0.30   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  13.59 +/- 0.86   0.006% *  0.0287% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  23.55 +/- 0.75   0.000% *  0.2008% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  21.55 +/- 1.00   0.000% *  0.1117% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  20.97 +/- 0.90   0.000% *  0.0590% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.425, support = 2.64, residual support = 19.8:
          QE    PHE   59 - HN    ILE  119   3.67 +/- 0.66  86.865% * 28.4608% (0.22   3.00  21.96) =  73.873%  kept
          HN    HIS  122 - HN    ILE  119   5.33 +/- 0.11  12.585% * 69.4566% (1.00   1.63  13.61) =  26.120%  kept
          HN    PHE   59 - HN    ILE  119   9.18 +/- 0.90   0.451% *  0.4825% (0.57   0.02  21.96) =   0.007%
          HH2   TRP   87 - HN    CYS   21  14.36 +/- 0.66   0.035% *  0.2687% (0.32   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  18.96 +/- 1.36   0.007% *  0.8503% (1.00   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  16.03 +/- 0.99   0.018% *  0.1525% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  15.29 +/- 2.56   0.034% *  0.0600% (0.07   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  20.99 +/- 1.29   0.004% *  0.2687% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 14.6:
          HN    ALA   20 - HN    CYS   21   4.27 +/- 0.05  99.992% * 99.7870% (0.95   2.96  14.63) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  20.83 +/- 0.81   0.008% *  0.2130% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 55.7:
        T HN    ALA  120 - HN    ILE  119   2.56 +/- 0.04  98.197% * 99.4047% (1.00 10.00   5.60  55.67) =  99.999%  kept
          HE21  GLN  116 - HN    ILE  119   5.78 +/- 1.22   1.754% *  0.0796% (0.80  1.00   0.02  14.35) =   0.001%
          HN    ALA   57 - HN    ILE  119  11.62 +/- 1.25   0.014% *  0.0722% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    ILE  119  10.81 +/- 0.23   0.018% *  0.0248% (0.25  1.00   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  21.67 +/- 0.95   0.000% *  0.3141% (0.32 10.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.98 +/- 2.02   0.012% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  15.66 +/- 1.56   0.003% *  0.0228% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  20.06 +/- 1.05   0.000% *  0.0174% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  22.47 +/- 2.06   0.000% *  0.0252% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  18.20 +/- 2.46   0.001% *  0.0062% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  22.92 +/- 1.60   0.000% *  0.0197% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  25.28 +/- 2.22   0.000% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 5.3, residual support = 39.5:
          HB    THR  118 - HN    ILE  119   3.05 +/- 0.33  99.953% * 98.0478% (0.98   5.30  39.54) = 100.000%  kept
          HA    ILE   89 - HN    ILE  119  17.48 +/- 0.85   0.003% *  0.3385% (0.90   0.02   0.02) =   0.000%
          HB    THR   39 - HN    CYS   21  14.68 +/- 0.63   0.009% *  0.0911% (0.24   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  18.38 +/- 1.51   0.003% *  0.2884% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  15.74 +/- 0.79   0.006% *  0.1070% (0.28   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  14.24 +/- 0.89   0.012% *  0.0490% (0.13   0.02   0.02) =   0.000%
          QB    SER   13 - HN    CYS   21  16.28 +/- 1.08   0.005% *  0.0866% (0.23   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  16.80 +/- 0.61   0.004% *  0.1070% (0.28   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  22.54 +/- 1.69   0.001% *  0.3385% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  19.11 +/- 0.95   0.002% *  0.1169% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  23.12 +/- 1.46   0.001% *  0.2741% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  26.02 +/- 0.95   0.000% *  0.1552% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 7.95, residual support = 258.8:
          HG12  ILE  119 - HN    ILE  119   2.30 +/- 0.29  99.593% * 97.7612% (0.90   7.95 258.82) = 100.000%  kept
          HB2   ASP- 105 - HN    ILE  119   7.12 +/- 0.92   0.231% *  0.0371% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   21   7.78 +/- 0.62   0.086% *  0.0777% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   21   8.63 +/- 0.60   0.045% *  0.0836% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  12.44 +/- 0.87   0.005% *  0.2458% (0.90   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  13.51 +/- 0.85   0.003% *  0.2646% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  12.43 +/- 1.77   0.008% *  0.0800% (0.29   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21  10.69 +/- 0.64   0.014% *  0.0456% (0.17   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  11.89 +/- 1.10   0.007% *  0.0694% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  14.69 +/- 1.77   0.003% *  0.0859% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  18.15 +/- 1.45   0.001% *  0.2195% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  19.00 +/- 1.09   0.000% *  0.2717% (0.99   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  16.57 +/- 1.24   0.001% *  0.1127% (0.41   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  21.73 +/- 1.36   0.000% *  0.2531% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  17.89 +/- 0.76   0.001% *  0.0777% (0.28   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  19.31 +/- 1.80   0.000% *  0.0356% (0.13   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  25.98 +/- 1.14   0.000% *  0.1442% (0.53   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  20.89 +/- 1.78   0.000% *  0.0295% (0.11   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  28.63 +/- 1.94   0.000% *  0.0935% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  20.00 +/- 0.79   0.000% *  0.0117% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 7.56, residual support = 258.8:
      O   HB    ILE  119 - HN    ILE  119   2.41 +/- 0.15  99.766% * 99.0354% (0.92  10.0   7.56 258.82) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   8.01 +/- 0.83   0.087% *  0.0336% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   8.50 +/- 0.47   0.055% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119  10.04 +/- 1.10   0.022% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  11.27 +/- 1.95   0.024% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  12.50 +/- 0.75   0.005% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.45 +/- 0.37   0.016% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  15.26 +/- 1.88   0.002% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  12.55 +/- 0.65   0.006% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  11.40 +/- 0.38   0.009% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  17.57 +/- 0.99   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  20.14 +/- 1.26   0.000% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  17.87 +/- 2.44   0.001% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  20.41 +/- 1.50   0.000% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  17.96 +/- 1.16   0.001% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  18.02 +/- 0.86   0.001% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  21.87 +/- 1.51   0.000% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  18.60 +/- 1.87   0.001% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  15.67 +/- 1.45   0.001% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  19.82 +/- 1.06   0.000% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  19.07 +/- 1.59   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  21.12 +/- 1.05   0.000% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  23.73 +/- 1.12   0.000% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  28.52 +/- 0.96   0.000% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.931, support = 6.89, residual support = 240.0:
          HG13  ILE  119 - HN    ILE  119   3.26 +/- 0.49  52.356% * 84.4245% (0.99   7.17 258.82) =  92.409%  kept
          QB    ALA   20 - HN    CYS   21   3.54 +/- 0.02  31.431% *  8.5735% (0.19   3.76  14.63) =   5.634%  kept
          QG1   VAL  107 - HN    ILE  119   4.36 +/- 0.80  15.503% *  6.0364% (0.20   2.57   0.11) =   1.956%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.16 +/- 0.34   0.475% *  0.0593% (0.25   0.02   5.93) =   0.001%
          HD3   LYS+ 112 - HN    ILE  119  10.86 +/- 1.62   0.095% *  0.1442% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    CYS   21   9.10 +/- 0.52   0.120% *  0.0366% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  13.57 +/- 0.54   0.010% *  0.0749% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.10 +/- 0.80   0.002% *  0.1442% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  20.79 +/- 1.38   0.001% *  0.2372% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  17.63 +/- 1.26   0.002% *  0.0744% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  21.63 +/- 1.14   0.001% *  0.1157% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  15.73 +/- 0.78   0.005% *  0.0149% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  23.27 +/- 1.95   0.000% *  0.0456% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.42 +/- 1.08   0.000% *  0.0187% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.424, support = 0.0197, residual support = 4.66:
          HG3   LYS+  74 - HN    CYS   21   5.74 +/- 0.56  47.539% *  3.7747% (0.23   0.02  10.10) =  37.179%  kept
          HB    VAL   75 - HN    CYS   21   6.12 +/- 0.96  38.452% *  3.9726% (0.24   0.02   2.84) =  31.650%  kept
          QD1   LEU   67 - HN    ILE  119   9.10 +/- 2.39   5.699% * 15.1858% (0.92   0.02   0.02) =  17.930%  kept
          QD2   LEU   40 - HN    ILE  119  10.37 +/- 1.41   1.893% * 15.5616% (0.95   0.02   0.02) =   6.103%  kept
          QG2   ILE  103 - HN    ILE  119  10.80 +/- 1.26   1.629% * 13.7407% (0.84   0.02   0.02) =   4.637%  kept
          QD2   LEU   71 - HN    CYS   21   9.27 +/- 0.81   2.905% *  1.2962% (0.08   0.02   0.02) =   0.780%  kept
          QD1   LEU   67 - HN    CYS   21  13.02 +/- 1.26   0.453% *  4.7985% (0.29   0.02   0.02) =   0.451%
          QD1   ILE  103 - HN    ILE  119  12.94 +/- 1.65   0.626% *  2.8810% (0.18   0.02   0.02) =   0.374%
          QD2   LEU   40 - HN    CYS   21  13.95 +/- 1.00   0.236% *  4.9173% (0.30   0.02   0.02) =   0.240%
          HG3   LYS+  74 - HN    ILE  119  16.65 +/- 1.17   0.089% * 11.9456% (0.73   0.02   0.02) =   0.220%
          QD2   LEU   71 - HN    ILE  119  14.93 +/- 1.61   0.211% *  4.1020% (0.25   0.02   0.02) =   0.180%
          HB    VAL   75 - HN    ILE  119  17.70 +/- 1.40   0.062% * 12.5720% (0.76   0.02   0.02) =   0.161%
          QG2   ILE  103 - HN    CYS   21  16.45 +/- 0.79   0.079% *  4.3419% (0.26   0.02   0.02) =   0.072%
          QD1   ILE  103 - HN    CYS   21  15.43 +/- 1.39   0.127% *  0.9104% (0.06   0.02   0.02) =   0.024%
    Distance limit 3.48 A violated in 20 structures by 1.47 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.81, residual support = 39.5:
          QG2   THR  118 - HN    ILE  119   3.33 +/- 0.43  99.984% * 99.9073% (0.57   6.81  39.54) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  14.73 +/- 0.89   0.016% *  0.0927% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.8, support = 4.23, residual support = 53.5:
          QB    ALA  120 - HN    ILE  119   4.08 +/- 0.04  74.385% * 68.6712% (0.80   4.40  55.67) =  95.600%  kept
          HB3   LEU  115 - HN    ILE  119   6.08 +/- 0.94  10.564% * 11.6692% (0.95   0.63   8.14) =   2.307%  kept
          HG    LEU  115 - HN    ILE  119   6.35 +/- 0.89   7.296% * 11.8522% (0.80   0.76   8.14) =   1.618%  kept
          HG    LEU   73 - HN    CYS   21   6.70 +/- 0.66   4.554% *  5.4587% (0.15   1.82   7.01) =   0.465%
          QG    LYS+  66 - HN    ILE  119   8.50 +/- 1.95   2.385% *  0.1204% (0.31   0.02   0.02) =   0.005%
          HG    LEU   67 - HN    ILE  119  11.56 +/- 2.24   0.277% *  0.3866% (0.99   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE  119  12.24 +/- 1.62   0.162% *  0.3690% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE  119  13.35 +/- 1.60   0.083% *  0.2209% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  12.14 +/- 1.44   0.130% *  0.0683% (0.18   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  16.43 +/- 1.03   0.019% *  0.1899% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  18.65 +/- 2.27   0.012% *  0.2366% (0.61   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.96 +/- 1.10   0.023% *  0.1166% (0.30   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.47 +/- 1.41   0.020% *  0.1222% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  15.59 +/- 0.52   0.025% *  0.0698% (0.18   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.74 +/- 1.11   0.009% *  0.1166% (0.30   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  19.14 +/- 1.63   0.008% *  0.0987% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  15.67 +/- 1.00   0.026% *  0.0216% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.20 +/- 0.73   0.014% *  0.0380% (0.10   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  20.11 +/- 0.86   0.005% *  0.0987% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.71 +/- 1.36   0.003% *  0.0748% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 1.85, residual support = 2.83:
          QG2   VAL   75 - HN    CYS   21   5.22 +/- 0.60  91.894% * 98.3398% (1.00   1.85   2.84) =  99.957%  kept
          QG2   VAL   42 - HN    ILE  119   8.72 +/- 1.07   5.972% *  0.3181% (0.30   0.02   0.02) =   0.021%
          QG2   VAL   42 - HN    CYS   21  10.59 +/- 0.66   1.839% *  1.0066% (0.95   0.02   0.02) =   0.020%
          QG2   VAL   75 - HN    ILE  119  14.18 +/- 0.73   0.295% *  0.3355% (0.32   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 12 structures by 0.92 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.61, residual support = 14.9:
      O   QB    ALA   20 - HN    ALA   20   2.18 +/- 0.11  99.998% * 99.6430% (0.84  10.0   3.61  14.87) = 100.000%  kept
          QG2   VAL  107 - HN    ALA   20  16.87 +/- 0.54   0.000% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  15.60 +/- 0.73   0.001% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  18.32 +/- 1.27   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  20.27 +/- 1.06   0.000% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  24.41 +/- 1.14   0.000% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 2.06, residual support = 20.1:
          QG2   ILE   19 - HN    ALA   20   2.72 +/- 0.51  99.995% * 99.5624% (0.99   2.06  20.07) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  15.48 +/- 1.10   0.005% *  0.4376% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 4.88, residual support = 123.9:
      O   HB    ILE   19 - HN    ILE   19   2.37 +/- 0.29  99.342% * 99.4048% (0.97  10.0   4.88 123.86) = 100.000%  kept
          HB2   GLN   17 - HN    ILE   19   5.86 +/- 0.20   0.562% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE   19   8.19 +/- 0.53   0.080% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  13.85 +/- 0.99   0.004% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  13.03 +/- 1.88   0.008% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  15.53 +/- 0.50   0.002% *  0.0924% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  16.15 +/- 1.00   0.002% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  19.24 +/- 1.04   0.000% *  0.1021% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  18.20 +/- 1.11   0.001% *  0.0257% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  22.75 +/- 1.09   0.000% *  0.0666% (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 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.725, support = 4.97, residual support = 117.1:
          HG12  ILE   19 - HN    ILE   19   3.81 +/- 0.63  72.719% * 75.0284% (0.73   5.21 123.86) =  94.326%  kept
          HG    LEU   73 - HN    ILE   19   5.35 +/- 0.68  16.488% * 16.9582% (0.80   1.07   4.10) =   4.834%  kept
          HB3   LYS+  74 - HN    ILE   19   5.69 +/- 0.59   8.882% *  5.4012% (0.18   1.55   8.41) =   0.829%  kept
          QB    ALA   61 - HN    ILE   19   7.75 +/- 0.56   1.256% *  0.3831% (0.97   0.02   0.02) =   0.008%
          HB3   LEU   67 - HN    ILE   19  10.48 +/- 1.24   0.222% *  0.3970% (1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    ILE   19  12.83 +/- 0.63   0.056% *  0.3755% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  13.09 +/- 0.87   0.055% *  0.3316% (0.84   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE   19  11.39 +/- 1.87   0.195% *  0.0884% (0.22   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  12.65 +/- 1.03   0.061% *  0.1225% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  13.82 +/- 0.62   0.037% *  0.1225% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  17.38 +/- 1.72   0.010% *  0.3179% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  17.13 +/- 1.23   0.011% *  0.1225% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  21.43 +/- 1.92   0.004% *  0.2727% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  19.58 +/- 1.68   0.005% *  0.0786% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.961, support = 4.86, residual support = 123.4:
          HG13  ILE   19 - HN    ILE   19   3.62 +/- 0.51  93.297% * 87.8385% (0.97   4.88 123.86) =  99.617%  kept
          HG2   LYS+  74 - HN    ILE   19   7.18 +/- 0.92   2.926% * 10.3586% (0.99   0.56   8.41) =   0.368%
          HG    LEU   71 - HN    ILE   19   7.67 +/- 1.21   2.968% *  0.3658% (0.98   0.02   0.02) =   0.013%
          QG2   THR   39 - HN    ILE   19   9.37 +/- 0.67   0.413% *  0.2563% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   19   9.97 +/- 0.63   0.271% *  0.0505% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  12.99 +/- 1.92   0.092% *  0.0930% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  17.89 +/- 1.07   0.008% *  0.3723% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  17.78 +/- 0.67   0.009% *  0.2563% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  16.94 +/- 0.67   0.011% *  0.1400% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  18.92 +/- 1.09   0.006% *  0.1534% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  23.53 +/- 1.18   0.002% *  0.1152% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.56, residual support = 21.2:
          QG1   VAL   18 - HN    ILE   19   2.65 +/- 0.33  96.242% * 96.1701% (0.34   4.56  21.17) =  99.966%  kept
          QD1   LEU   71 - HN    ILE   19   5.88 +/- 1.69   3.659% *  0.8498% (0.69   0.02   0.02) =   0.034%
          QG1   VAL   70 - HN    ILE   19   8.91 +/- 1.36   0.087% *  0.5546% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ILE   19  14.65 +/- 2.11   0.008% *  0.8498% (0.69   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  16.09 +/- 2.04   0.004% *  0.3818% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  18.34 +/- 0.93   0.001% *  1.1939% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.812, support = 4.56, residual support = 50.5:
          QG2   VAL   18 - HN    ILE   19   3.79 +/- 0.43  37.660% * 56.9883% (0.97   4.53  21.17) =  65.774%  kept
          QD1   ILE   19 - HN    ILE   19   4.15 +/- 0.63  25.397% * 37.7393% (0.57   5.12 123.86) =  29.374%  kept
          QD2   LEU   73 - HN    ILE   19   3.93 +/- 0.89  36.360% *  4.3508% (0.22   1.50   4.10) =   4.848%  kept
          QG1   VAL   43 - HN    ILE   19   8.62 +/- 0.66   0.253% *  0.2583% (0.99   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    ILE   19   9.17 +/- 0.73   0.182% *  0.2337% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE   19  10.77 +/- 1.06   0.105% *  0.2337% (0.90   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE   19  12.01 +/- 0.75   0.035% *  0.0889% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  15.93 +/- 1.06   0.008% *  0.1071% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.706, support = 4.31, residual support = 19.6:
          HG12  ILE   19 - HN    ALA   20   4.70 +/- 0.55  65.182% * 88.9192% (0.73   4.42  20.07) =  96.402%  kept
          HB3   LYS+  74 - HN    ALA   20   5.49 +/- 0.48  30.688% *  6.9896% (0.18   1.44   8.19) =   3.568%  kept
          HG    LEU   73 - HN    ALA   20   8.16 +/- 0.43   2.465% *  0.4438% (0.80   0.02   0.02) =   0.018%
          QB    ALA   61 - HN    ALA   20   9.64 +/- 0.71   0.972% *  0.5349% (0.97   0.02   0.02) =   0.009%
          HG    LEU   80 - HN    ALA   20  12.23 +/- 1.04   0.252% *  0.4630% (0.84   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   20  14.74 +/- 1.30   0.084% *  0.5543% (1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   20  13.00 +/- 0.72   0.158% *  0.1711% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   20  16.28 +/- 0.67   0.040% *  0.5243% (0.95   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   20  15.60 +/- 2.11   0.088% *  0.1234% (0.22   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   20  19.21 +/- 1.90   0.017% *  0.4438% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  16.77 +/- 1.15   0.038% *  0.1711% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  20.33 +/- 1.22   0.010% *  0.1711% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  24.77 +/- 1.84   0.003% *  0.3807% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  23.80 +/- 1.66   0.004% *  0.1097% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.259, support = 2.68, residual support = 9.2:
          HB3   LYS+  74 - HN    CYS   21   3.53 +/- 0.47  82.334% * 13.0046% (0.18   2.82  10.10) =  84.727%  kept
          HG    LEU   73 - HN    CYS   21   6.70 +/- 0.66   2.591% * 38.3998% (0.80   1.82   7.01) =   7.872%  kept
          HG12  ILE   19 - HN    CYS   21   7.09 +/- 0.51   1.944% * 42.1731% (0.73   2.20   0.26) =   6.488%  kept
          HB3   LEU  115 - HN    ILE  119   6.08 +/- 0.94   6.486% *  1.6257% (0.10   0.63   8.14) =   0.834%  kept
          HG    LEU   80 - HN    CYS   21   8.17 +/- 1.01   0.979% *  0.4403% (0.84   0.02   0.02) =   0.034%
          QG    LYS+  66 - HN    ILE  119   8.50 +/- 1.95   1.481% *  0.1576% (0.30   0.02   0.02) =   0.018%
          HD3   LYS+ 121 - HN    ILE  119   6.55 +/- 0.79   2.911% *  0.0330% (0.06   0.02   5.93) =   0.008%
          QB    ALA   61 - HN    CYS   21  10.48 +/- 0.56   0.145% *  0.5087% (0.97   0.02   0.02) =   0.006%
          HB2   LEU   80 - HN    CYS   21   8.90 +/- 0.68   0.399% *  0.1627% (0.31   0.02   0.02) =   0.005%
          QB    ALA  110 - HN    ILE  119  10.83 +/- 1.36   0.186% *  0.1334% (0.25   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    ILE  119  10.89 +/- 0.68   0.120% *  0.1607% (0.30   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE  119  12.14 +/- 1.44   0.075% *  0.1666% (0.32   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE  119  11.56 +/- 2.24   0.181% *  0.0371% (0.07   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  15.67 +/- 1.00   0.012% *  0.5271% (1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ILE  119  12.24 +/- 1.62   0.084% *  0.0514% (0.10   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.20 +/- 0.73   0.007% *  0.4986% (0.95   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    CYS   21  17.23 +/- 1.61   0.007% *  0.4221% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.96 +/- 1.10   0.011% *  0.1627% (0.31   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  16.43 +/- 1.03   0.010% *  0.1334% (0.25   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.47 +/- 1.41   0.010% *  0.1174% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.74 +/- 1.11   0.005% *  0.1627% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  18.65 +/- 2.27   0.005% *  0.1144% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.71 +/- 1.36   0.001% *  0.3621% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  19.79 +/- 1.53   0.003% *  0.1209% (0.23   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  17.61 +/- 1.01   0.007% *  0.0292% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  22.69 +/- 1.18   0.001% *  0.1391% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  22.55 +/- 1.51   0.002% *  0.1043% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  22.74 +/- 1.26   0.001% *  0.0514% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.17, residual support = 84.4:
      O   QG    GLN   17 - HE21  GLN   17   2.16 +/- 0.07  99.997% * 99.5957% (0.48  10.0   3.17  84.37) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  13.37 +/- 1.66   0.002% *  0.0879% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  21.63 +/- 2.59   0.000% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  21.54 +/- 2.56   0.000% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  20.98 +/- 2.72   0.000% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  20.17 +/- 1.46   0.000% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  27.97 +/- 1.97   0.000% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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   4.42 +/- 0.02  99.424% * 99.9055% (0.73 10.00   5.47  50.08) =  99.999%  kept
          HN    SER   13 - HN    GLN   17  10.68 +/- 0.77   0.576% *  0.0945% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.47, residual support = 50.1:
        T HN    GLN   17 - HN    VAL   18   4.42 +/- 0.02  99.811% * 99.7850% (0.89 10.00   5.47  50.08) = 100.000%  kept
          HD21  ASN   69 - HN    VAL   18  13.16 +/- 1.39   0.181% *  0.1079% (0.96  1.00   0.02   0.02) =   0.000%
          HN    TRP   87 - HN    VAL   18  21.51 +/- 0.62   0.008% *  0.1071% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.25, residual support = 8.41:
        T HN    LYS+  74 - HN    ILE   19   4.20 +/- 0.52  99.689% * 99.4791% (0.41 10.00   3.25   8.41) =  99.999%  kept
          HN    THR   46 - HN    ILE   19  11.54 +/- 0.73   0.280% *  0.2021% (0.84  1.00   0.02   0.02) =   0.001%
          HN    MET   92 - HN    ILE   19  19.67 +/- 0.92   0.011% *  0.2335% (0.97  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  20.27 +/- 2.06   0.015% *  0.0373% (0.15  1.00   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  22.83 +/- 1.07   0.005% *  0.0479% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 2.55, residual support = 2.86:
          HN    THR   26 - HN    VAL   24   4.43 +/- 0.12  70.823% * 86.4578% (0.87   2.60   2.43) =  94.113%  kept
          HN    LEU   80 - HN    VAL   24   5.36 +/- 0.88  29.124% * 13.1514% (0.20   1.74   9.65) =   5.887%  kept
          HN    ALA   34 - HN    VAL   24  15.09 +/- 0.25   0.046% *  0.1036% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  20.60 +/- 0.67   0.007% *  0.2873% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 3.71, residual support = 17.3:
          HN    THR   23 - HN    VAL   24   4.23 +/- 0.15  95.327% * 97.9329% (0.98   3.71  17.30) =  99.984%  kept
          HE3   TRP   27 - HN    VAL   24   8.16 +/- 0.93   3.030% *  0.4112% (0.76   0.02  25.75) =   0.013%
          HD2   HIS   22 - HN    VAL   24   8.39 +/- 0.25   1.591% *  0.1198% (0.22   0.02   0.02) =   0.002%
          QE    PHE   95 - HN    VAL   24  16.67 +/- 0.73   0.027% *  0.5334% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  18.20 +/- 1.74   0.017% *  0.1836% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  23.14 +/- 1.86   0.005% *  0.4495% (0.84   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  23.47 +/- 0.70   0.003% *  0.3696% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 6.22:
          HE1   TRP   87 - HE1   TRP   27   3.81 +/- 1.01 100.000% *100.0000% (0.53   0.75   6.22) = 100.000%  kept
    Distance limit 3.96 A violated in 3 structures by 0.35 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   2.68 +/- 0.07  97.368% * 98.9220% (0.98 10.00   4.04  18.75) =  99.999%  kept
          HN    GLN   32 - HN    ASN   35   4.90 +/- 0.14   2.631% *  0.0531% (0.53  1.00   0.02   6.43) =   0.001%
        T HN    LEU   80 - HN    ASN   35  20.30 +/- 0.58   0.001% *  0.9316% (0.92 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  21.42 +/- 0.62   0.000% *  0.0200% (0.20  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  28.77 +/- 0.94   0.000% *  0.0733% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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   2.44 +/- 0.07  99.999% * 99.7690% (0.98 10.00   3.97  18.85) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  17.35 +/- 0.48   0.001% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  23.27 +/- 0.48   0.000% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  24.24 +/- 1.40   0.000% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (7.88, 7.75, 114.55 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.31, residual support = 22.9:
        T HN    LYS+  38 - HN    THR   39   2.57 +/- 0.07  99.964% * 99.8693% (1.00 10.00   5.31  22.95) = 100.000%  kept
          HN    LEU   31 - HN    THR   39   9.70 +/- 0.29   0.036% *  0.0278% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  20.22 +/- 0.89   0.000% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  28.88 +/- 1.15   0.000% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 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   3.20 +/- 0.38  99.476% * 99.8546% (0.76   4.00  16.41) =  99.999%  kept
          HN    PHE   72 - HN    VAL   43   8.18 +/- 0.42   0.524% *  0.1454% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.41, residual support = 7.37:
          HN    LEU   73 - HN    ASP-  44   3.66 +/- 0.54  96.341% * 70.1530% (0.38   4.45   7.49) =  98.484%  kept
          HN    VAL   42 - HN    ASP-  44   6.62 +/- 0.21   3.583% * 29.0088% (0.38   1.84   0.02) =   1.515%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.52 +/- 0.32   0.076% *  0.8382% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.15 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 = 5.88, residual support = 38.0:
          HN    VAL   42 - HN    VAL   43   4.38 +/- 0.09  74.530% * 74.7966% (0.38   6.29  41.31) =  90.157%  kept
          HN    LEU   73 - HN    VAL   43   5.30 +/- 0.32  24.751% * 24.5714% (0.38   2.07   7.87) =   9.836%  kept
          HN    LYS+ 106 - HN    VAL   43   9.56 +/- 0.35   0.718% *  0.6320% (1.00   0.02   0.02) =   0.007%
    Distance limit 4.17 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.833, support = 0.02, residual support = 0.02:
          HN    ALA   84 - HN    ASP-  44  11.39 +/- 0.47  32.051% * 23.7147% (1.00   0.02   0.02) =  39.974%  kept
          HN    LEU   63 - HN    ASP-  44  10.79 +/- 0.89  46.445% * 15.3753% (0.65   0.02   0.02) =  37.556%  kept
          HN    ILE   56 - HN    ASP-  44  13.42 +/- 1.17  13.481% * 18.1638% (0.76   0.02   0.02) =  12.878%  kept
          HN    LYS+ 111 - HN    ASP-  44  15.08 +/- 1.33   6.346% * 23.7147% (1.00   0.02   0.02) =   7.915%  kept
          HE21  GLN   32 - HN    ASP-  44  18.75 +/- 0.95   1.677% * 19.0315% (0.80   0.02   0.02) =   1.678%  kept
    Distance limit 4.14 A violated in 20 structures by 5.23 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.442, support = 0.714, residual support = 2.57:
          QD    PHE   60 - HN    ASP-  44   5.59 +/- 0.60  89.108% * 45.9525% (0.41   0.75   2.76) =  93.224%  kept
          QE    PHE   59 - HN    ASP-  44   9.92 +/- 2.80   8.813% * 31.5590% (0.92   0.23   0.02) =   6.332%  kept
          HN    PHE   59 - HN    ASP-  44  12.17 +/- 0.72   0.899% * 19.3554% (0.57   0.23   0.02) =   0.396%
          HN    LYS+  66 - HN    ASP-  44  13.13 +/- 0.83   0.705% *  2.6732% (0.90   0.02   0.02) =   0.043%
          HN    LYS+  81 - HN    ASP-  44  13.71 +/- 0.52   0.475% *  0.4599% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.43 A violated in 13 structures by 1.08 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.66, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.04 +/- 0.68  80.383% * 29.1578% (0.63   0.02   0.02) =  76.883%  kept
          HD21  ASN   69 - HN    ASP-  62  14.56 +/- 1.16  18.182% * 36.0114% (0.77   0.02   0.02) =  21.478%  kept
          HN    TRP   87 - HN    ASP-  62  21.74 +/- 0.71   1.434% * 34.8308% (0.75   0.02   0.02) =   1.639%  kept
    Distance limit 3.35 A violated in 20 structures by 7.28 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 +/- 0.05  99.957% * 98.0197% (0.32 10.00   5.85  42.45) =  99.999%  kept
        T HN    ILE   56 - HN    ASP-  62   9.78 +/- 0.59   0.039% *  1.2712% (0.42 10.00   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ASP-  62  14.68 +/- 1.72   0.004% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  21.70 +/- 0.62   0.000% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  27.83 +/- 1.02   0.000% *  0.2560% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (8.75, 8.95, 120.59 ppm):
    2 chemical-shift based assignments, quality = 0.924, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   7.82 +/- 0.51  98.758% * 48.0011% (0.92   0.02   0.02) =  98.656%  kept
          HN    ALA  110 - HN    LEU   73  16.95 +/- 1.91   1.242% * 51.9989% (1.00   0.02   0.02) =   1.344%  kept
    Distance limit 3.91 A violated in 20 structures by 3.89 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.415, support = 3.79, residual support = 19.7:
          HN    VAL   75 - HN    ASP-  76   4.32 +/- 0.09  70.303% * 48.6680% (0.28   4.64  26.92) =  69.411%  kept
          HN    ASP-  78 - HN    ASP-  76   5.01 +/- 0.20  29.691% * 50.7839% (0.73   1.85   3.24) =  30.589%  kept
          HN    LYS+ 112 - HN    ASP-  76  21.29 +/- 1.14   0.005% *  0.3383% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  29.00 +/- 2.50   0.001% *  0.2098% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1214 (7.57, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 28.0:
        T HN    LYS+ 111 - HN    LYS+ 112   4.31 +/- 0.11  98.095% * 99.6886% (0.87 10.00   5.34  27.98) =  99.999%  kept
          HN    ILE   56 - HN    LYS+ 112   9.14 +/- 1.56   1.789% *  0.0559% (0.49  1.00   0.02   8.53) =   0.001%
          HN    LEU   63 - HN    LYS+ 112  14.02 +/- 1.57   0.110% *  0.0431% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  22.29 +/- 1.04   0.005% *  0.0997% (0.87  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  34.92 +/- 1.39   0.000% *  0.1126% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.455, support = 0.0199, residual support = 0.0199:
          QD    PHE   60 - HN    GLN  116  10.17 +/- 1.56  28.837% * 26.8436% (0.65   0.02   0.02) =  48.891%  kept
          QD    PHE   55 - HN    GLN  116   8.30 +/- 1.81  66.243% * 11.5373% (0.28   0.02   0.02) =  48.270%  kept
          HN    LYS+  66 - HN    GLN  116  13.53 +/- 0.92   4.539% *  8.2119% (0.20   0.02   0.02) =   2.354%  kept
          HE3   TRP   27 - HN    GLN  116  21.37 +/- 0.79   0.289% * 14.1544% (0.34   0.02   0.02) =   0.259%
          HN    LYS+  81 - HN    GLN  116  25.93 +/- 1.16   0.091% * 39.2529% (0.95   0.02   0.02) =   0.226%
    Distance limit 4.22 A violated in 19 structures by 3.28 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.797, support = 6.15, residual support = 54.0:
      O   HA    ILE  119 - HN    ALA  120   3.63 +/- 0.01  83.701% * 86.1986% (0.80  10.0   6.23  55.67) =  97.041%  kept
          HA    THR  118 - HN    ALA  120   4.78 +/- 0.19  16.222% * 13.5601% (0.67   1.0   3.76   0.11) =   2.959%  kept
          HD3   PRO   58 - HN    ALA  120  12.33 +/- 0.93   0.060% *  0.0197% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA  120  15.93 +/- 0.81   0.012% *  0.0409% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  22.40 +/- 0.87   0.002% *  0.0603% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  21.20 +/- 0.88   0.002% *  0.0409% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  25.68 +/- 1.58   0.001% *  0.0796% (0.74   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 6.25:
          HA    SER  117 - HN    ALA  120   3.51 +/- 0.28  99.853% * 95.2241% (0.92   0.75   6.25) =  99.998%  kept
          HA    ASP-  62 - HN    ALA  120  11.11 +/- 1.21   0.113% *  1.3390% (0.49   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    ALA  120  13.78 +/- 0.82   0.031% *  1.0463% (0.38   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  26.97 +/- 1.27   0.001% *  1.9449% (0.71   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  22.22 +/- 1.26   0.002% *  0.4457% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.07, residual support = 114.0:
      O   HG3   GLN  116 - HE21  GLN  116   3.23 +/- 0.40  99.993% * 99.8198% (0.69  10.0   4.07 114.04) = 100.000%  kept
          HG3   MET   96 - HE21  GLN  116  18.19 +/- 1.53   0.005% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE21  GLN  116  21.41 +/- 1.62   0.002% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  29.91 +/- 3.75   0.000% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 0.549, support = 2.88, residual support = 68.7:
          HG    LEU  115 - HE21  GLN  116   6.75 +/- 1.65  22.385% * 23.9356% (0.41   3.48  98.74) =  43.686%  kept
          QB    ALA  120 - HE21  GLN  116   4.69 +/- 1.52  69.040% *  5.4013% (0.41   0.78   0.26) =  30.405%  kept
          HB3   LEU  115 - HE21  GLN  116   7.57 +/- 1.03   4.612% * 68.7410% (0.95   4.34  98.74) =  25.848%  kept
          QG    LYS+  66 - HE21  GLN  116   8.63 +/- 1.53   2.555% *  0.2301% (0.69   0.02   0.02) =   0.048%
          QB    ALA   61 - HE21  GLN  116  10.93 +/- 1.35   0.746% *  0.1143% (0.34   0.02   0.02) =   0.007%
          HG    LEU   67 - HE21  GLN  116  14.05 +/- 2.42   0.100% *  0.2906% (0.87   0.02   0.02) =   0.002%
          QB    ALA  110 - HE21  GLN  116  11.62 +/- 1.43   0.418% *  0.0587% (0.18   0.02   0.02) =   0.002%
          HB3   LEU   67 - HE21  GLN  116  14.63 +/- 2.21   0.079% *  0.1631% (0.49   0.02   0.02) =   0.001%
          HG    LEU   40 - HE21  GLN  116  16.72 +/- 2.53   0.026% *  0.3169% (0.95   0.02   0.02) =   0.001%
          HG    LEU   73 - HE21  GLN  116  19.98 +/- 1.86   0.011% *  0.2906% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  17.43 +/- 2.72   0.022% *  0.0746% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  23.72 +/- 2.89   0.004% *  0.3169% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  26.00 +/- 1.88   0.003% *  0.0663% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.39, support = 0.982, residual support = 0.559:
          HB    ILE  119 - HN    SER  117   5.39 +/- 0.54  34.001% * 52.4572% (0.20   1.61   0.96) =  53.548%  kept
          QB    GLU- 114 - HN    SER  117   4.85 +/- 0.16  59.191% * 25.7648% (0.61   0.26   0.10) =  45.785%  kept
          HB2   LYS+ 111 - HN    SER  117   7.20 +/- 0.96   6.704% *  3.2815% (1.00   0.02   0.02) =   0.660%  kept
          HB3   PRO   68 - HN    SER  117  18.83 +/- 2.28   0.025% *  2.7471% (0.84   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    SER  117  17.89 +/- 2.78   0.042% *  1.4745% (0.45   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    SER  117  21.42 +/- 1.27   0.008% *  3.2815% (1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    SER  117  21.44 +/- 0.92   0.008% *  3.2815% (1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    SER  117  22.06 +/- 0.99   0.007% *  1.7303% (0.53   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  25.29 +/- 1.30   0.003% *  1.4745% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  23.42 +/- 1.20   0.005% *  0.8201% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  23.54 +/- 0.95   0.005% *  0.6509% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  31.35 +/- 0.85   0.001% *  3.0360% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.863, support = 2.25, residual support = 3.57:
          QB    ALA  120 - HN    SER  117   4.56 +/- 0.44  60.966% * 17.7914% (0.84   1.34   6.25) =  41.052%  kept
          HB3   LEU  115 - HN    SER  117   5.68 +/- 0.38  19.177% * 43.3957% (0.92   2.95   1.72) =  31.497%  kept
          HG    LEU  115 - HN    SER  117   5.87 +/- 0.93  19.313% * 37.5513% (0.84   2.82   1.72) =  27.448%  kept
          QG    LYS+  66 - HN    SER  117  11.26 +/- 1.29   0.343% *  0.0886% (0.28   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    SER  117  15.30 +/- 2.21   0.064% *  0.3125% (0.98   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  15.73 +/- 1.49   0.047% *  0.2943% (0.92   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    SER  117  17.05 +/- 1.52   0.029% *  0.1934% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  15.91 +/- 1.56   0.043% *  0.0492% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  20.76 +/- 1.95   0.008% *  0.1805% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  19.82 +/- 0.89   0.010% *  0.1429% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.994, support = 3.05, residual support = 17.7:
          HB2   PHE   97 - HN    LEU  104   3.49 +/- 0.48  92.122% * 81.6580% (1.00   3.08  17.96) =  98.576%  kept
          QE    LYS+ 106 - HN    LEU  104   5.90 +/- 1.21   6.293% * 17.2208% (0.76   0.85   0.02) =   1.420%  kept
          QE    LYS+  99 - HN    LEU  104   7.59 +/- 0.83   1.531% *  0.1996% (0.38   0.02  16.92) =   0.004%
          HB3   TRP   27 - HN    LEU  104  16.07 +/- 1.18   0.011% *  0.5272% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU  104  15.75 +/- 1.17   0.019% *  0.3012% (0.57   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  14.37 +/- 1.25   0.025% *  0.0932% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.95, support = 5.52, residual support = 35.4:
          HG12  ILE  103 - HN    LEU  104   4.21 +/- 0.31  81.145% * 83.2117% (0.97   5.63  36.49) =  96.945%  kept
          QB    LYS+ 102 - HN    LEU  104   5.78 +/- 0.44  13.829% * 15.2810% (0.49   2.05   0.02) =   3.034%  kept
          HB    VAL   41 - HN    LEU  104   7.47 +/- 1.53   4.663% *  0.3066% (1.00   0.02   0.02) =   0.021%
          QB    LYS+  66 - HN    LEU  104  14.34 +/- 1.77   0.080% *  0.2900% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU  104  12.20 +/- 1.47   0.207% *  0.1046% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  15.90 +/- 1.40   0.037% *  0.2343% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  17.09 +/- 1.05   0.019% *  0.2226% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  17.71 +/- 1.06   0.017% *  0.1151% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  22.72 +/- 1.04   0.004% *  0.2343% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 1.58, residual support = 26.2:
          QB    LEU   98 - HN    ILE  103   4.06 +/- 0.66  99.601% * 87.6947% (0.61   1.58  26.16) =  99.994%  kept
          HD3   LYS+ 121 - HN    ILE  103  12.77 +/- 1.45   0.199% *  1.6362% (0.90   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    ILE  103  17.00 +/- 3.11   0.073% *  0.7501% (0.41   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ILE  103  17.48 +/- 1.39   0.027% *  1.4609% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  103  19.13 +/- 1.63   0.013% *  1.7883% (0.98   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  103  19.00 +/- 2.02   0.015% *  1.3943% (0.76   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  18.85 +/- 3.11   0.040% *  0.4549% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  103  20.45 +/- 0.96   0.009% *  1.5826% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  19.22 +/- 1.34   0.013% *  1.0329% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  103  20.74 +/- 1.83   0.008% *  1.5826% (0.87   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  25.20 +/- 2.50   0.003% *  0.6223% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 2 structures by 0.17 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.716, support = 5.14, residual support = 32.2:
          QD2   LEU  104 - HN    ILE  103   4.86 +/- 0.91  25.432% * 79.6888% (1.00   5.62  36.49) =  58.913%  kept
          QD1   LEU   98 - HN    ILE  103   3.60 +/- 0.79  72.369% * 19.5287% (0.31   4.46  26.16) =  41.082%  kept
          QG1   VAL   41 - HN    ILE  103   7.22 +/- 1.15   1.632% *  0.0562% (0.20   0.02   0.02) =   0.003%
          QG1   VAL   43 - HN    ILE  103   8.35 +/- 0.91   0.548% *  0.0968% (0.34   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    ILE  103  18.19 +/- 1.45   0.005% *  0.2739% (0.97   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  16.94 +/- 1.28   0.008% *  0.1607% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  17.73 +/- 0.80   0.006% *  0.1950% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.411, support = 6.88, residual support = 217.5:
          QD1   LEU  104 - HN    LEU  104   3.97 +/- 0.62  94.739% * 97.1231% (0.41   6.88 217.53) =  99.983%  kept
          QG2   VAL   41 - HN    LEU  104   7.64 +/- 1.15   3.394% *  0.1359% (0.20   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    LEU  104  10.20 +/- 1.61   0.645% *  0.6629% (0.97   0.02   0.02) =   0.005%
          QD2   LEU   63 - HN    LEU  104  10.14 +/- 2.08   0.739% *  0.4988% (0.73   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    LEU  104  11.65 +/- 1.08   0.242% *  0.6629% (0.97   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU  104  12.12 +/- 1.35   0.209% *  0.4719% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU  104  15.99 +/- 1.36   0.033% *  0.4444% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.556, support = 4.76, residual support = 22.2:
          QD2   LEU  104 - HN    ASP- 105   4.39 +/- 0.24  72.854% * 27.4579% (0.18   6.38  38.83) =  50.525%  kept
          QD1   LEU   98 - HN    ASP- 105   5.49 +/- 1.03  27.107% * 72.2639% (0.95   3.11   5.12) =  49.475%  kept
          QG2   ILE   19 - HN    ASP- 105  15.52 +/- 0.72   0.039% *  0.2782% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 136.2:
          HG3   LYS+ 106 - HN    LYS+ 106   2.72 +/- 0.34  99.016% * 95.5323% (0.90   4.02 136.15) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   7.24 +/- 1.22   0.745% *  0.0928% (0.18   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 106   9.33 +/- 0.50   0.088% *  0.2179% (0.41   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+ 106   9.52 +/- 1.02   0.082% *  0.1180% (0.22   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 106  12.24 +/- 0.71   0.016% *  0.5290% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 106  12.70 +/- 1.24   0.013% *  0.5254% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  11.70 +/- 0.52   0.021% *  0.1808% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.70 +/- 0.54   0.005% *  0.5116% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  16.27 +/- 1.19   0.003% *  0.5290% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  14.57 +/- 0.80   0.005% *  0.1636% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  20.05 +/- 1.38   0.001% *  0.5290% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  15.11 +/- 0.94   0.005% *  0.0818% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  21.38 +/- 0.82   0.001% *  0.5196% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.46 +/- 0.51   0.001% *  0.1049% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  26.66 +/- 1.72   0.000% *  0.3641% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.85, residual support = 26.8:
          QG1   VAL  107 - HN    LYS+ 106   4.26 +/- 0.38  99.527% * 97.0524% (0.53   2.85  26.80) =  99.996%  kept
          HG    LEU   63 - HN    LYS+ 106  12.37 +/- 2.03   0.297% *  0.9391% (0.73   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HN    LYS+ 106  14.53 +/- 0.79   0.075% *  0.3992% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 106  17.22 +/- 0.75   0.026% *  1.1218% (0.87   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LYS+ 106  15.54 +/- 1.04   0.055% *  0.1995% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  18.37 +/- 1.12   0.019% *  0.2879% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 65.0:
          QG1   VAL  108 - HN    VAL  108   3.62 +/- 0.06  99.880% * 99.4338% (0.98   4.52  65.00) = 100.000%  kept
          QD1   LEU   40 - HN    VAL  108  12.49 +/- 0.70   0.063% *  0.2183% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL  108  13.75 +/- 1.15   0.038% *  0.2360% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  15.97 +/- 1.95   0.019% *  0.1118% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.997, support = 2.86, residual support = 7.78:
          QG2   ILE   89 - HN    ALA   91   3.69 +/- 0.32  90.838% * 96.8560% (1.00   2.87   7.80) =  99.739%  kept
          QG1   VAL   83 - HN    TRP   27   5.68 +/- 0.59   8.853% *  2.5881% (0.07   1.18   3.93) =   0.260%
          QG1   VAL   83 - HN    ALA   91  10.84 +/- 0.66   0.164% *  0.3554% (0.53   0.02   0.02) =   0.001%
          QG2   ILE   89 - HN    TRP   27  11.33 +/- 0.57   0.126% *  0.0835% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  18.37 +/- 1.37   0.007% *  0.1042% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.82 +/- 1.18   0.012% *  0.0129% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 5.3, residual support = 39.2:
          HG3   LYS+  99 - HN    GLU- 100   3.93 +/- 0.54  59.764% * 94.9742% (0.45   5.32  39.37) =  99.562%  kept
          QB    ALA   34 - HN    GLU- 100   4.72 +/- 1.04  30.483% *  0.5779% (0.73   0.02   0.02) =   0.309%
          HG3   LYS+  38 - HN    GLU- 100   6.53 +/- 1.75   6.400% *  0.7889% (0.99   0.02   0.02) =   0.089%
          QG2   THR   39 - HN    GLU- 100   6.91 +/- 0.94   2.897% *  0.7529% (0.95   0.02   0.02) =   0.038%
          HG    LEU   71 - HN    GLU- 100  10.32 +/- 1.83   0.426% *  0.2987% (0.38   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    GLU- 100  17.09 +/- 1.79   0.012% *  0.5149% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  19.28 +/- 1.91   0.005% *  0.7138% (0.90   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  21.53 +/- 1.35   0.003% *  0.7529% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  18.68 +/- 1.41   0.006% *  0.2987% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  19.35 +/- 1.30   0.005% *  0.3272% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.566, support = 0.987, residual support = 5.56:
          QB    ALA   84 - HN    LYS+  81   4.51 +/- 0.06  99.656% * 76.1174% (0.57   0.99   5.56) =  99.992%  kept
          HB3   LEU   73 - HN    LYS+  81  13.75 +/- 0.53   0.126% *  2.5148% (0.92   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    LYS+  81  17.55 +/- 1.06   0.031% *  1.6523% (0.61   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LYS+  81  15.06 +/- 0.67   0.075% *  0.6065% (0.22   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  81  19.21 +/- 0.59   0.017% *  2.3631% (0.87   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LYS+  81  20.68 +/- 0.90   0.011% *  2.7242% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  18.46 +/- 1.73   0.025% *  1.2214% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  21.67 +/- 1.58   0.009% *  2.1814% (0.80   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  17.76 +/- 1.12   0.029% *  0.5391% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  25.04 +/- 1.89   0.004% *  2.5770% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  26.53 +/- 1.57   0.003% *  2.6703% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  25.79 +/- 1.14   0.003% *  2.3631% (0.87   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  25.71 +/- 2.22   0.004% *  1.1200% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  22.58 +/- 1.28   0.007% *  0.4203% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  29.60 +/- 1.80   0.001% *  0.9293% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.42 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.91, residual support = 215.6:
          QD1   ILE   89 - HN    ILE   89   3.19 +/- 0.45  93.313% * 99.3868% (0.92   5.92 215.68) =  99.974%  kept
          QG2   VAL   83 - HN    ILE   89   5.47 +/- 0.76   6.643% *  0.3632% (1.00   0.02   0.02) =   0.026%
          QD2   LEU   31 - HN    ILE   89  11.93 +/- 0.42   0.044% *  0.2500% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.36, support = 4.04, residual support = 8.53:
          QB    ALA   88 - HN    ILE   89   3.36 +/- 0.35  72.825% * 59.2201% (0.34   4.48   8.09) =  82.230%  kept
          QB    ALA   84 - HN    ILE   89   4.12 +/- 0.37  26.862% * 34.6871% (0.45   2.00  10.56) =  17.766%  kept
          HB3   LEU   80 - HN    ILE   89   9.45 +/- 1.06   0.195% *  0.7590% (0.98   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    ILE   89  12.15 +/- 0.62   0.035% *  0.6468% (0.84   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ILE   89  12.94 +/- 1.64   0.029% *  0.4384% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ILE   89  11.98 +/- 0.62   0.036% *  0.3183% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  16.35 +/- 1.79   0.007% *  0.7590% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  16.16 +/- 0.49   0.006% *  0.7726% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  18.49 +/- 1.22   0.003% *  0.7148% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  20.98 +/- 0.94   0.001% *  0.6200% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  24.64 +/- 1.50   0.000% *  0.5319% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  25.36 +/- 0.93   0.000% *  0.5319% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.622, support = 4.11, residual support = 35.2:
          QB    ALA   91 - HN    GLN   90   4.17 +/- 0.45  50.456% * 61.1779% (0.84   3.04  32.06) =  63.673%  kept
          HG12  ILE   89 - HN    GLN   90   4.23 +/- 0.56  48.981% * 35.9520% (0.25   5.99  40.77) =  36.324%  kept
          HG2   LYS+  74 - HN    GLN   90  11.91 +/- 1.80   0.164% *  0.4443% (0.92   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    GLN   90  10.68 +/- 2.12   0.338% *  0.1806% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    GLN   90  14.34 +/- 1.54   0.036% *  0.0952% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  20.68 +/- 1.37   0.004% *  0.4813% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  20.06 +/- 0.80   0.004% *  0.4020% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  20.94 +/- 1.12   0.004% *  0.4316% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  17.56 +/- 0.49   0.010% *  0.1072% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  23.35 +/- 0.68   0.002% *  0.4553% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  27.80 +/- 0.97   0.001% *  0.2725% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (2.15, 8.62, 127.39 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 90.0:
      O   HB2   GLN   90 - HN    GLN   90   3.94 +/- 0.10  99.847% * 99.4917% (0.73  10.0   5.59  90.02) = 100.000%  kept
          HB3   GLU-  79 - HN    GLN   90  12.32 +/- 1.20   0.141% *  0.1343% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  22.04 +/- 1.03   0.004% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  21.95 +/- 1.07   0.004% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  24.74 +/- 0.75   0.002% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  24.36 +/- 0.79   0.002% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  28.33 +/- 0.61   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (0.77, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 5.43, residual support = 39.2:
          QD2   LEU   73 - HN    PHE   72   3.62 +/- 1.00  79.887% * 96.1345% (0.87   5.46  39.44) =  99.452%  kept
          QG2   VAL   18 - HN    PHE   72   5.51 +/- 0.68  15.916% *  2.5867% (0.34   0.37   3.37) =   0.533%  kept
          QG1   VAL   41 - HN    PHE   72   8.14 +/- 1.17   2.461% *  0.3101% (0.76   0.02   0.02) =   0.010%
          QG1   VAL   43 - HN    PHE   72   7.54 +/- 0.68   1.329% *  0.2297% (0.57   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    PHE   72  10.69 +/- 0.93   0.155% *  0.3916% (0.97   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    PHE   72  13.89 +/- 1.55   0.109% *  0.2461% (0.61   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    PHE   72  11.47 +/- 0.62   0.142% *  0.1012% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.48, residual support = 38.1:
          QB    ALA   64 - HN    PHE   72   4.84 +/- 0.52  99.919% * 99.8591% (1.00   2.48  38.11) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.35 +/- 0.55   0.081% *  0.1409% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 5 structures by 0.42 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 8.41:
          HB    ILE   19 - HN    LYS+  74   4.83 +/- 0.78  96.103% * 95.9634% (0.71   2.61   8.41) =  99.981%  kept
          HB2   GLN   17 - HN    LYS+  74   9.37 +/- 0.58   2.412% *  0.4465% (0.43   0.02   0.02) =   0.012%
          QB    GLU-  15 - HN    LYS+  74  11.63 +/- 0.73   0.679% *  0.4465% (0.43   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    LYS+  74  13.17 +/- 0.58   0.360% *  0.5894% (0.57   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    LYS+  74  17.26 +/- 0.73   0.065% *  0.7215% (0.69   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    LYS+  74  16.39 +/- 1.23   0.128% *  0.2763% (0.27   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LYS+  74  18.47 +/- 0.97   0.045% *  0.7345% (0.71   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+  74  16.68 +/- 1.42   0.110% *  0.1836% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  17.55 +/- 1.00   0.079% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  21.64 +/- 1.10   0.020% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 5 structures by 0.48 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.373, support = 5.38, residual support = 40.5:
          QD1   LEU   73 - HN    LYS+  74   4.54 +/- 0.52  88.121% * 97.1031% (0.37   5.39  40.49) =  99.925%  kept
          QD2   LEU   80 - HN    LYS+  74   7.35 +/- 1.05   7.938% *  0.6146% (0.64   0.02   0.02) =   0.057%
          QG1   VAL   83 - HN    LYS+  74   9.28 +/- 0.53   1.503% *  0.5237% (0.54   0.02   0.02) =   0.009%
          QD1   LEU   63 - HN    LYS+  74  10.03 +/- 1.73   1.228% *  0.3605% (0.37   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    LYS+  74  13.30 +/- 1.41   0.195% *  0.5944% (0.61   0.02   0.02) =   0.001%
          QG2   ILE   89 - HN    LYS+  74   9.98 +/- 0.70   0.942% *  0.1200% (0.12   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LYS+  74  15.33 +/- 1.19   0.074% *  0.6837% (0.71   0.02   0.02) =   0.001%
    Distance limit 4.49 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.343, support = 4.6, residual support = 28.3:
          QG2   THR   77 - HN    ASP-  78   3.99 +/- 0.26  87.253% * 78.0546% (0.34   4.63  28.48) =  99.446%  kept
          HB3   LEU   80 - HN    ASP-  78   7.65 +/- 0.81   2.280% * 15.8753% (0.69   0.47   2.80) =   0.528%  kept
          QB    ALA   84 - HN    ASP-  78   5.85 +/- 0.48  10.164% *  0.1526% (0.15   0.02   0.02) =   0.023%
          QB    ALA   88 - HN    ASP-  78  12.03 +/- 0.53   0.124% *  0.7181% (0.73   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ASP-  78  11.63 +/- 0.75   0.149% *  0.4433% (0.45   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ASP-  78  19.27 +/- 0.55   0.007% *  0.8260% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  18.97 +/- 1.09   0.009% *  0.5598% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  78  21.54 +/- 1.56   0.004% *  0.8868% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  19.06 +/- 1.42   0.008% *  0.2202% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  26.44 +/- 0.82   0.001% *  0.9889% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  29.36 +/- 0.71   0.001% *  0.9693% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  27.37 +/- 1.39   0.001% *  0.3052% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 0.75:
          QB    ALA   47 - HN    ASP-  78   5.76 +/- 1.18  98.962% * 94.7883% (0.92   0.75   0.75) =  99.970%  kept
          QG1   VAL   42 - HN    ASP-  78  13.64 +/- 0.66   0.970% *  2.6840% (0.98   0.02   0.02) =   0.028%
          HG2   LYS+ 112 - HN    ASP-  78  20.95 +/- 2.25   0.068% *  2.5277% (0.92   0.02   0.02) =   0.002%
    Distance limit 4.44 A violated in 11 structures by 1.40 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.596, support = 4.32, residual support = 24.7:
          HB    THR   77 - HN    ASP-  78   4.06 +/- 0.14  77.853% * 37.4697% (0.45   4.63  28.48) =  68.814%  kept
          HA    GLU-  79 - HN    ASP-  78   5.04 +/- 0.09  21.739% * 60.8091% (0.92   3.65  16.38) =  31.184%  kept
          HA1   GLY   51 - HN    ASP-  78  12.96 +/- 0.83   0.081% *  0.3604% (1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  78  11.78 +/- 0.61   0.139% *  0.1619% (0.45   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ASP-  78  11.84 +/- 0.54   0.134% *  0.1355% (0.38   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ASP-  78  14.29 +/- 1.33   0.048% *  0.3239% (0.90   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  21.89 +/- 1.12   0.003% *  0.2045% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  25.72 +/- 0.56   0.001% *  0.3485% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  25.72 +/- 1.22   0.001% *  0.0633% (0.18   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  32.70 +/- 1.98   0.000% *  0.1232% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 38.9:
      O   HA    ASP-  78 - HN    ASP-  78   2.81 +/- 0.03  99.608% * 99.8154% (1.00  10.0   4.57  38.91) = 100.000%  kept
          HA    LEU   80 - HN    ASP-  78   7.42 +/- 0.52   0.318% *  0.0486% (0.49   1.0   0.02   2.80) =   0.000%
          HA    THR   23 - HN    ASP-  78   9.89 +/- 0.71   0.057% *  0.0866% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78  12.25 +/- 0.90   0.016% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  22.46 +/- 0.67   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 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 8.02, residual support = 213.9:
      O   HA    ILE  119 - HN    ILE  119   2.85 +/- 0.01  74.443% * 50.7779% (1.00  10.0   8.72 258.82) =  79.520%  kept
      O   HA    THR  118 - HN    ILE  119   3.56 +/- 0.05  19.866% * 49.0042% (0.97  10.0   5.30  39.54) =  20.479%  kept
          HA    VAL   75 - HN    CYS   21   4.58 +/- 0.54   5.672% *  0.0028% (0.06   1.0   0.02   2.84) =   0.000%
          HA2   GLY  109 - HN    ILE  119  13.82 +/- 0.95   0.006% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  13.11 +/- 0.80   0.008% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  20.00 +/- 0.82   0.001% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  17.98 +/- 0.99   0.001% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  18.44 +/- 0.91   0.001% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  23.50 +/- 1.59   0.000% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  20.66 +/- 0.98   0.001% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  19.08 +/- 0.74   0.001% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  21.59 +/- 1.20   0.000% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.82, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.717, support = 5.47, residual support = 31.9:
          HB2   CYS   53 - HN    ARG+  54   3.22 +/- 0.18  90.894% * 83.7038% (0.72   5.50  32.28) =  98.692%  kept
          HD3   PRO   52 - HN    ARG+  54   5.02 +/- 0.14   6.773% * 14.8168% (0.26   2.68   1.76) =   1.302%  kept
          HD2   PRO   58 - HN    ARG+  54   7.32 +/- 1.19   1.154% *  0.3674% (0.87   0.02   0.02) =   0.006%
          HD2   PRO   58 - HN    ASP-  62   6.86 +/- 0.43   1.135% *  0.0687% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  12.45 +/- 1.23   0.033% *  0.0569% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  20.55 +/- 0.93   0.002% *  0.3452% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  17.14 +/- 0.81   0.004% *  0.0207% (0.05   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  25.47 +/- 1.48   0.000% *  0.1358% (0.32   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  29.44 +/- 1.34   0.000% *  0.3325% (0.79   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  22.38 +/- 1.11   0.001% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  22.58 +/- 0.70   0.001% *  0.0646% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  19.96 +/- 0.87   0.002% *  0.0254% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 1.41, residual support = 3.38:
          QG2   VAL   18 - HN    ALA   61   4.43 +/- 0.54  92.347% * 93.9379% (0.95   1.41   3.38) =  99.902%  kept
          QG2   THR   46 - HN    ALA   61   7.93 +/- 1.25   6.128% *  1.2188% (0.87   0.02   0.02) =   0.086%
          QG1   VAL   43 - HN    ALA   61  11.87 +/- 0.54   0.293% *  1.4020% (1.00   0.02   0.02) =   0.005%
          QD2   LEU   73 - HN    ALA   61  10.09 +/- 0.73   0.785% *  0.3504% (0.25   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    ALA   61  11.70 +/- 1.14   0.320% *  0.7392% (0.53   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    ALA   61  15.07 +/- 0.83   0.071% *  1.2970% (0.92   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ALA   61  16.74 +/- 1.09   0.037% *  0.5273% (0.38   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ALA   61  18.79 +/- 1.04   0.018% *  0.5273% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.96, residual support = 51.9:
          QB    GLU-  36 - HN    ASN   35   4.10 +/- 0.08  95.878% * 98.3843% (0.92   4.96  51.92) =  99.992%  kept
          HB2   LYS+  38 - HN    ASN   35   7.25 +/- 0.21   3.202% *  0.1195% (0.28   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    ASN   35   9.45 +/- 0.53   0.672% *  0.4260% (0.99   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ASN   35  11.20 +/- 0.49   0.242% *  0.3121% (0.73   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ASN   35  21.25 +/- 0.92   0.005% *  0.3728% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  26.54 +/- 0.75   0.001% *  0.3854% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 44.1:
      O   QB    MET   11 - HN    MET   11   2.84 +/- 0.47  99.740% * 99.3665% (0.69  10.0   3.00  44.08) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11  10.19 +/- 1.67   0.199% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  12.29 +/- 1.92   0.054% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  17.99 +/- 4.25   0.005% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  30.63 +/- 2.99   0.000% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  26.88 +/- 3.91   0.000% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  26.89 +/- 2.28   0.000% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  34.59 +/- 2.42   0.000% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  40.07 +/- 2.69   0.000% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  39.63 +/- 2.41   0.000% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 44.1:
          HG2   MET   11 - HN    MET   11   3.86 +/- 0.63  99.693% * 97.3781% (0.92   3.31  44.08) =  99.998%  kept
          HB2   GLU-  14 - HN    MET   11  11.07 +/- 1.81   0.279% *  0.6025% (0.95   0.02   0.02) =   0.002%
          HB2   PRO   68 - HN    MET   11  19.04 +/- 3.12   0.014% *  0.3100% (0.49   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    MET   11  19.56 +/- 3.34   0.013% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  32.74 +/- 2.49   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  29.70 +/- 3.43   0.001% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  40.27 +/- 2.32   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  35.45 +/- 2.39   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 44.1:
          HG3   MET   11 - HN    MET   11   3.05 +/- 0.58  99.771% * 98.0255% (0.92   3.31  44.08) =  99.999%  kept
          HB3   GLU-  14 - HN    MET   11  11.40 +/- 1.83   0.224% *  0.4900% (0.76   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    MET   11  21.80 +/- 3.09   0.001% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  22.40 +/- 3.68   0.002% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  30.83 +/- 2.48   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  23.90 +/- 2.92   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  31.04 +/- 2.65   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  39.64 +/- 2.51   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.952, support = 0.0199, residual support = 0.0199:
          HG2   LYS+  33 - HN    MET   11  17.93 +/- 3.13  81.320% * 22.9200% (1.00   0.02   0.02) =  89.065%  kept
          HD3   LYS+  74 - HN    MET   11  27.43 +/- 2.27   6.970% * 12.0587% (0.53   0.02   0.02) =   4.016%  kept
          QG    LYS+  81 - HN    MET   11  31.97 +/- 2.55   2.832% * 19.1444% (0.84   0.02   0.02) =   2.591%  kept
          HG    LEU  104 - HN    MET   11  30.37 +/- 2.63   3.791% *  8.6021% (0.38   0.02   0.02) =   1.558%  kept
          HB3   LYS+ 121 - HN    MET   11  32.42 +/- 3.38   2.920% *  8.6021% (0.38   0.02   0.02) =   1.200%  kept
          HG2   LYS+ 106 - HN    MET   11  35.82 +/- 2.48   1.363% * 17.5161% (0.76   0.02   0.02) =   1.141%  kept
          HB3   LYS+ 111 - HN    MET   11  40.32 +/- 2.81   0.803% * 11.1564% (0.49   0.02   0.02) =   0.428%
    Distance limit 4.23 A violated in 20 structures by 13.03 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.6, residual support = 12.0:
          HG2   MET   11 - HN    ALA   12   4.17 +/- 0.21  95.863% * 97.8504% (0.72   3.60  12.01) =  99.977%  kept
          HB2   GLU-  14 - HN    ALA   12   8.18 +/- 1.57   4.026% *  0.5419% (0.72   0.02   0.02) =   0.023%
          HB2   PRO   68 - HN    ALA   12  16.01 +/- 3.30   0.109% *  0.1510% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  29.54 +/- 1.94   0.001% *  0.5324% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  37.27 +/- 2.07   0.000% *  0.5324% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  32.30 +/- 1.99   0.000% *  0.2233% (0.30   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  33.77 +/- 3.15   0.000% *  0.0951% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  35.17 +/- 2.12   0.000% *  0.0735% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.29, residual support = 12.4:
      O   QB    ALA   12 - HN    ALA   12   2.83 +/- 0.09  99.988% * 99.1918% (0.68  10.0   2.29  12.45) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  15.75 +/- 2.93   0.007% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  19.20 +/- 2.46   0.002% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  20.48 +/- 2.17   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  20.46 +/- 1.97   0.001% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  22.95 +/- 2.45   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  22.15 +/- 1.53   0.001% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  30.79 +/- 4.57   0.000% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.96 +/- 2.30   0.000% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  28.39 +/- 2.23   0.000% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  31.04 +/- 2.71   0.000% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  36.43 +/- 2.91   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  32.28 +/- 1.96   0.000% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.946, support = 1.76, residual support = 5.19:
          QB    ALA   12 - HN    SER   13   2.60 +/- 0.52  99.967% * 91.5358% (0.95   1.76   5.19) = 100.000%  kept
          HG3   LYS+  65 - HN    SER   13  16.13 +/- 2.33   0.013% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   13  15.06 +/- 2.54   0.012% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  18.13 +/- 1.86   0.003% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  18.30 +/- 1.50   0.002% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  19.31 +/- 1.48   0.002% *  0.4924% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  21.65 +/- 1.59   0.001% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  29.66 +/- 3.63   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  26.27 +/- 1.78   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  28.96 +/- 2.32   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  29.98 +/- 1.64   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  33.59 +/- 2.38   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  29.42 +/- 1.62   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.98 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   3.24 +/- 0.63  99.852% * 95.5708% (0.45   2.47   6.66) =  99.999%  kept
          HB3   SER   37 - HN    GLU-  14  12.27 +/- 2.21   0.075% *  1.0009% (0.58   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLU-  14  12.44 +/- 1.96   0.072% *  0.8231% (0.48   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLU-  14  25.03 +/- 1.66   0.001% *  1.1956% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  28.99 +/- 1.46   0.000% *  1.0009% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  27.75 +/- 1.72   0.000% *  0.4087% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (2.26, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.518, support = 3.64, residual support = 41.5:
          QG    GLU-  14 - HN    GLU-  14   3.44 +/- 0.89  69.671% * 71.6982% (0.53   3.92  47.73) =  86.662%  kept
          QG    GLU-  15 - HN    GLU-  14   4.72 +/- 1.04  29.795% * 25.8006% (0.42   1.78   0.88) =  13.337%  kept
          QB    MET   11 - HN    GLU-  14   8.37 +/- 0.71   0.462% *  0.0947% (0.14   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    GLU-  14  12.38 +/- 1.30   0.055% *  0.3995% (0.58   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  14  16.54 +/- 2.00   0.009% *  0.3473% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  17.94 +/- 1.52   0.005% *  0.3473% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  22.64 +/- 1.32   0.001% *  0.4741% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  27.53 +/- 1.75   0.000% *  0.4290% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  25.42 +/- 1.75   0.001% *  0.1193% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  31.81 +/- 1.82   0.000% *  0.2901% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.84, residual support = 47.7:
      O   HB2   GLU-  14 - HN    GLU-  14   3.15 +/- 0.54  99.553% * 99.6047% (0.70  10.0   3.84  47.73) = 100.000%  kept
          HG2   MET   11 - HN    GLU-  14   9.77 +/- 1.00   0.192% *  0.0998% (0.70   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU-  14  11.59 +/- 2.75   0.253% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  23.89 +/- 1.01   0.001% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  26.37 +/- 1.54   0.000% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  31.45 +/- 1.74   0.000% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  28.09 +/- 2.20   0.000% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  29.48 +/- 1.76   0.000% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 47.7:
      O   HB3   GLU-  14 - HN    GLU-  14   3.26 +/- 0.30  99.810% * 99.6986% (0.62  10.0   3.88  47.73) = 100.000%  kept
          HG3   MET   11 - HN    GLU-  14   9.75 +/- 0.82   0.178% *  0.0807% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    GLU-  14  16.48 +/- 1.97   0.011% *  0.0850% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  22.64 +/- 2.00   0.001% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  28.10 +/- 2.34   0.000% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.5, residual support = 84.4:
          QG    GLN   17 - HN    GLN   17   3.05 +/- 0.51  99.711% * 98.8145% (1.00   5.50  84.37) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   8.89 +/- 1.37   0.270% *  0.3528% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  16.40 +/- 0.88   0.006% *  0.2328% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  19.43 +/- 0.98   0.002% *  0.3567% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  17.11 +/- 1.61   0.005% *  0.1001% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  18.15 +/- 1.81   0.003% *  0.0801% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  18.32 +/- 0.89   0.003% *  0.0630% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.0, residual support = 80.2:
      O   HB2   GLN   17 - HN    GLN   17   3.80 +/- 0.11  58.334% * 91.6402% (0.92  10.0   5.17  84.37) =  95.056%  kept
          QB    GLU-  15 - HN    GLN   17   4.16 +/- 0.27  35.322% *  7.8586% (0.92   1.0   1.72   0.02) =   4.936%  kept
          HB    ILE   19 - HN    GLN   17   6.46 +/- 0.82   3.300% *  0.0795% (0.80   1.0   0.02   0.02) =   0.005%
          HB3   PRO   68 - HN    GLN   17   8.60 +/- 2.76   2.624% *  0.0562% (0.57   1.0   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    GLN   17  10.01 +/- 1.77   0.328% *  0.0721% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLN   17  11.68 +/- 1.15   0.086% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  20.06 +/- 0.96   0.003% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  21.12 +/- 1.04   0.002% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  25.05 +/- 1.19   0.001% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 84.4:
      O   HB3   GLN   17 - HN    GLN   17   2.89 +/- 0.27  99.170% * 99.6298% (0.98  10.0   5.17  84.37) =  99.999%  kept
          QB    LYS+  65 - HN    GLN   17   7.60 +/- 0.94   0.504% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    GLN   17   8.88 +/- 1.31   0.233% *  0.0777% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    GLN   17   9.77 +/- 0.59   0.083% *  0.0178% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  15.03 +/- 0.83   0.006% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  18.22 +/- 1.38   0.002% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  20.14 +/- 2.38   0.001% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  21.50 +/- 1.22   0.001% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  23.28 +/- 0.58   0.000% *  0.0347% (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 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.975, support = 1.95, residual support = 6.17:
          QB    GLU-  15 - HN    GLY   16   2.39 +/- 0.48  96.156% * 39.2308% (0.98   1.94   6.05) =  98.791%  kept
          HB2   GLN   17 - HN    GLY   16   6.12 +/- 0.11   0.772% * 58.5789% (0.98   2.90  16.50) =   1.184%  kept
          HB3   PRO   68 - HN    GLY   16   7.57 +/- 2.61   2.731% *  0.3235% (0.78   0.02   0.02) =   0.023%
          HB    ILE   19 - HN    GLY   16   7.59 +/- 0.89   0.186% *  0.2287% (0.55   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLY   16   8.96 +/- 1.77   0.113% *  0.1966% (0.47   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLY   16  11.76 +/- 1.38   0.017% *  0.1661% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  11.60 +/- 1.70   0.022% *  0.0707% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  20.60 +/- 1.33   0.000% *  0.3821% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  18.03 +/- 2.18   0.001% *  0.0899% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  16.84 +/- 1.22   0.001% *  0.0707% (0.17   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  21.59 +/- 1.24   0.000% *  0.2613% (0.63   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  25.85 +/- 1.28   0.000% *  0.4004% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.16 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   3.61 +/- 0.29  99.744% * 98.7513% (0.70   5.81  50.08) =  99.999%  kept
          HB    VAL   70 - HN    VAL   18  10.64 +/- 1.42   0.224% *  0.3028% (0.62   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    VAL   18  15.44 +/- 0.80   0.017% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   18  19.16 +/- 0.52   0.005% *  0.3910% (0.81   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  20.19 +/- 1.13   0.004% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  18.92 +/- 1.10   0.006% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 77.1:
      O   HB    VAL   18 - HN    VAL   18   2.40 +/- 0.39  99.422% * 99.4605% (0.70  10.0   4.99  77.12) = 100.000%  kept
          HB    ILE   19 - HN    VAL   18   6.32 +/- 0.37   0.474% *  0.0305% (0.21   1.0   0.02  21.17) =   0.000%
          HB2   LEU   67 - HN    VAL   18   8.85 +/- 1.02   0.079% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    VAL   18  12.20 +/- 1.71   0.018% *  0.0381% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  13.57 +/- 0.89   0.005% *  0.1264% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  17.60 +/- 1.01   0.001% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  17.31 +/- 2.11   0.001% *  0.0614% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  19.31 +/- 0.89   0.001% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.332, support = 5.44, residual support = 49.8:
          HB3   GLN   17 - HN    VAL   18   3.67 +/- 0.14  96.109% * 82.1130% (0.33   5.47  50.08) =  99.444%  kept
          QB    LYS+  65 - HN    VAL   18   6.90 +/- 0.90   3.300% * 13.2319% (0.87   0.34   0.02) =   0.550%  kept
          QB    LYS+  66 - HN    VAL   18   9.71 +/- 0.73   0.323% *  0.7348% (0.81   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    VAL   18  10.45 +/- 0.81   0.215% *  0.7631% (0.84   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    VAL   18  15.29 +/- 0.96   0.020% *  0.5691% (0.62   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  18.30 +/- 1.40   0.007% *  0.8720% (0.96   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  20.88 +/- 1.90   0.004% *  0.8490% (0.93   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  16.96 +/- 1.76   0.014% *  0.2194% (0.24   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  19.94 +/- 1.27   0.004% *  0.4282% (0.47   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  20.75 +/- 1.34   0.003% *  0.2194% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.911, support = 5.27, residual support = 76.8:
          QG2   VAL   18 - HN    VAL   18   2.52 +/- 0.65  97.835% * 72.3727% (0.91   5.28  77.12) =  99.427%  kept
          QD1   ILE   19 - HN    VAL   18   6.40 +/- 0.93   1.535% * 26.5288% (0.51   3.48  21.17) =   0.572%  kept
          QD2   LEU   73 - HN    VAL   18   7.31 +/- 0.72   0.526% *  0.0723% (0.24   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   18  10.01 +/- 0.98   0.070% *  0.2515% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18  11.51 +/- 0.60   0.021% *  0.2893% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  13.40 +/- 0.96   0.008% *  0.2677% (0.89   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  16.20 +/- 0.81   0.003% *  0.1088% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  17.47 +/- 1.28   0.002% *  0.1088% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 8.67:
          QB    ALA   64 - HN    VAL   18   3.48 +/- 0.50  99.949% * 99.8615% (0.84   2.25   8.67) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  13.09 +/- 1.01   0.051% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.433, support = 4.26, residual support = 20.3:
          HN    PHE   59 - HN    PHE   60   2.78 +/- 0.16  86.051% * 64.0808% (0.44   4.33  20.52) =  96.246%  kept
          QE    PHE   59 - HN    THR  118   4.45 +/- 0.83   9.112% * 15.2224% (0.16   2.84  11.65) =   2.421%  kept
          QE    PHE   59 - HN    PHE   60   5.47 +/- 1.12   4.357% * 17.5130% (0.28   1.84  20.52) =   1.332%  kept
          HN    HIS  122 - HN    THR  118   7.08 +/- 0.18   0.321% *  0.1416% (0.21   0.02   0.35) =   0.001%
          HN    PHE   59 - HN    THR  118  10.53 +/- 0.83   0.034% *  0.1673% (0.25   0.02  11.65) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.89 +/- 0.36   0.087% *  0.0548% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  12.30 +/- 0.66   0.012% *  0.2506% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  12.47 +/- 1.04   0.012% *  0.1175% (0.18   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  19.42 +/- 0.92   0.001% *  0.6344% (0.95   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  18.31 +/- 1.13   0.001% *  0.4068% (0.61   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  20.09 +/- 1.42   0.001% *  0.5370% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  13.10 +/- 1.18   0.010% *  0.0310% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  18.94 +/- 1.07   0.001% *  0.2273% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  22.56 +/- 1.27   0.000% *  0.4870% (0.73   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  18.71 +/- 1.03   0.001% *  0.1284% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 5.31, residual support = 41.8:
          HN    ALA   61 - HN    PHE   60   2.71 +/- 0.16  99.962% * 95.0519% (0.47   5.31  41.84) = 100.000%  kept
          HN    ALA   61 - HN    GLU-  15  15.30 +/- 0.91   0.004% *  0.7674% (1.00   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR  118  12.68 +/- 0.76   0.011% *  0.2024% (0.26   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  15.74 +/- 0.99   0.003% *  0.3550% (0.46   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  14.10 +/- 1.70   0.007% *  0.1519% (0.20   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  17.17 +/- 1.32   0.002% *  0.5865% (0.76   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  17.28 +/- 1.65   0.002% *  0.2006% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  18.13 +/- 0.98   0.001% *  0.3107% (0.40   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  16.85 +/- 0.96   0.002% *  0.1756% (0.23   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  19.06 +/- 0.78   0.001% *  0.2737% (0.36   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  16.63 +/- 0.84   0.002% *  0.0627% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  25.05 +/- 1.00   0.000% *  0.6657% (0.87   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  28.33 +/- 1.30   0.000% *  0.7606% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  18.09 +/- 0.83   0.001% *  0.0354% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  20.79 +/- 1.15   0.001% *  0.0709% (0.09   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  23.98 +/- 0.83   0.000% *  0.1547% (0.20   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  23.93 +/- 0.90   0.000% *  0.1344% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  21.37 +/- 1.27   0.000% *  0.0401% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.94, residual support = 71.9:
      O   HB3   PHE   60 - HN    PHE   60   2.84 +/- 0.45  99.669% * 98.9222% (0.47  10.0   4.94  71.92) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   8.88 +/- 1.38   0.151% *  0.0529% (0.25   1.0   0.02   2.80) =   0.000%
          HB2   PHE   97 - HN    THR  118   9.27 +/- 0.88   0.113% *  0.0294% (0.14   1.0   0.02   1.81) =   0.000%
          HB3   PHE   60 - HN    THR  118  11.74 +/- 1.11   0.028% *  0.0559% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  16.07 +/- 1.50   0.007% *  0.2120% (1.00   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  14.70 +/- 1.04   0.007% *  0.0936% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  13.39 +/- 0.77   0.012% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  16.97 +/- 1.22   0.004% *  0.1032% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  16.55 +/- 0.78   0.004% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  20.65 +/- 1.38   0.001% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  18.77 +/- 1.91   0.002% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  23.80 +/- 0.99   0.000% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  21.18 +/- 0.84   0.001% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  24.25 +/- 1.11   0.000% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  24.52 +/- 1.08   0.000% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.01, residual support = 20.5:
          HB3   PHE   59 - HN    PHE   60   3.56 +/- 0.47  98.697% * 96.9707% (0.39   4.01  20.52) =  99.996%  kept
          HB3   PHE   59 - HN    THR  118   8.29 +/- 1.15   1.284% *  0.2734% (0.22   0.02  11.65) =   0.004%
          HB3   TRP   49 - HN    PHE   60  16.68 +/- 1.12   0.013% *  0.4637% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  20.27 +/- 1.05   0.003% *  1.0365% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  22.87 +/- 2.08   0.002% *  0.2621% (0.21   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  29.36 +/- 1.22   0.000% *  0.9936% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.83, residual support = 5.25:
        T HN    SER  117 - HN    THR  118   2.74 +/- 0.15  99.971% * 97.7507% (0.17 10.00   2.83   5.25) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.32 +/- 0.68   0.022% *  1.7701% (0.30 10.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  14.42 +/- 0.72   0.005% *  0.1969% (0.34  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  19.93 +/- 1.02   0.001% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  21.71 +/- 0.67   0.000% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  25.54 +/- 0.93   0.000% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 4.52, residual support = 37.2:
          QG2   THR  118 - HN    THR  118   3.54 +/- 0.15  98.627% * 99.2050% (0.13   4.52  37.24) =  99.989%  kept
          QG2   THR  118 - HN    PHE   60   7.75 +/- 1.15   1.373% *  0.7950% (0.23   0.02   0.02) =   0.011%
    Distance limit 3.98 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 = 0.131, support = 4.22, residual support = 53.1:
      O   HB    THR  118 - HN    THR  118   2.16 +/- 0.18  66.019% * 18.8471% (0.05  10.0   3.60  37.24) =  51.679%  kept
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.04  14.242% * 79.4085% (0.22  10.0   4.94  71.92) =  46.972%  kept
          QB    SER  117 - HN    THR  118   2.69 +/- 0.23  19.714% *  1.6475% (0.03   1.0   3.15   5.25) =   1.349%  kept
          HB    THR  118 - HN    PHE   60   9.39 +/- 1.13   0.015% *  0.0341% (0.09   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118  10.01 +/- 0.93   0.008% *  0.0439% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.81 +/- 0.58   0.003% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.144, support = 3.63, residual support = 37.3:
      O   HA    THR  118 - HN    THR  118   2.82 +/- 0.04  90.431% * 74.8145% (0.14  10.0   3.61  37.24) =  99.151%  kept
          HA    ILE  119 - HN    THR  118   5.18 +/- 0.12   2.383% * 24.2084% (0.17   1.0   5.51  39.54) =   0.845%  kept
          HD3   PRO   58 - HN    PHE   60   4.48 +/- 0.50   7.007% *  0.0310% (0.06   1.0   0.02   0.02) =   0.003%
          HA    ILE  119 - HN    PHE   60   8.85 +/- 0.73   0.106% *  0.1590% (0.30   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    PHE   60  11.69 +/- 0.99   0.020% *  0.1355% (0.26   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  12.03 +/- 0.67   0.016% *  0.0439% (0.08   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  13.28 +/- 0.62   0.009% *  0.0665% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  14.60 +/- 1.90   0.006% *  0.0795% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  17.09 +/- 0.93   0.002% *  0.1481% (0.28   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  12.07 +/- 0.80   0.016% *  0.0171% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  17.11 +/- 0.75   0.002% *  0.1147% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  19.47 +/- 0.83   0.001% *  0.0633% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  19.66 +/- 0.89   0.001% *  0.0367% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  23.28 +/- 1.99   0.000% *  0.0818% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.989, support = 4.01, residual support = 20.5:
      O   HA    PHE   59 - HN    PHE   60   3.60 +/- 0.05  86.578% * 99.4803% (0.99  10.0   4.01  20.52) =  99.996%  kept
          HA    ILE   56 - HN    PHE   60   5.59 +/- 1.09  10.729% *  0.0154% (0.15   1.0   0.02   3.84) =   0.002%
          HA    ASP- 113 - HN    THR  118   6.83 +/- 0.49   2.091% *  0.0487% (0.48   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    THR  118   9.19 +/- 1.09   0.403% *  0.0802% (0.80   1.0   0.02  11.65) =   0.000%
          HA    ASP- 113 - HN    PHE   60  12.76 +/- 0.98   0.048% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    THR  118  11.30 +/- 0.93   0.103% *  0.0124% (0.12   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  18.09 +/- 0.91   0.006% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  16.02 +/- 1.08   0.012% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  19.09 +/- 0.92   0.004% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  18.53 +/- 0.92   0.005% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.46 +/- 1.16   0.005% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  18.64 +/- 1.18   0.005% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  17.97 +/- 1.70   0.007% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  23.48 +/- 1.09   0.001% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  23.26 +/- 1.19   0.001% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  27.21 +/- 0.90   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  22.67 +/- 1.52   0.001% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  28.39 +/- 1.25   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.58 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.914, support = 4.81, residual support = 67.2:
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.04  43.695% * 94.1581% (0.96  10.0   4.94  71.92) =  92.968%  kept
          QB    SER  117 - HN    THR  118   2.69 +/- 0.23  56.039% *  5.5528% (0.36   1.0   3.15   5.25) =   7.031%  kept
          HA    LYS+ 121 - HN    THR  118   6.94 +/- 0.34   0.208% *  0.0138% (0.14   1.0   0.02   6.30) =   0.000%
          HA    PHE   60 - HN    THR  118  10.01 +/- 0.93   0.027% *  0.0759% (0.77   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.81 +/- 0.58   0.008% *  0.0437% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.46 +/- 0.66   0.010% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.47 +/- 0.86   0.004% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.02 +/- 0.94   0.005% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  15.87 +/- 0.69   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.82 +/- 0.75   0.002% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  20.06 +/- 1.33   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  23.75 +/- 1.06   0.000% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  23.18 +/- 1.47   0.000% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  23.36 +/- 1.14   0.000% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  27.66 +/- 1.68   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.501, support = 3.44, residual support = 20.6:
          HG12  ILE  119 - HN    THR  118   4.28 +/- 0.38  13.807% * 65.6983% (0.72   4.94  39.54) =  43.105%  kept
          QG    GLU-  15 - HN    GLU-  15   3.40 +/- 0.70  47.831% * 13.3691% (0.32   2.28  11.03) =  30.386%  kept
          QG    GLU-  14 - HN    GLU-  15   3.68 +/- 0.59  35.129% * 15.8627% (0.36   2.35   0.88) =  26.479%  kept
          HG12  ILE  119 - HN    PHE   60   7.03 +/- 0.64   0.824% *  0.3302% (0.89   0.02   0.02) =   0.013%
          HB2   ASP-  44 - HN    PHE   60   7.33 +/- 0.71   0.571% *  0.3302% (0.89   0.02   2.76) =   0.009%
          HB3   PHE   72 - HN    PHE   60   9.11 +/- 1.04   0.185% *  0.3553% (0.96   0.02   6.83) =   0.003%
          HB2   ASP- 105 - HN    THR  118   6.20 +/- 0.84   1.443% *  0.0402% (0.11   0.02   4.77) =   0.003%
          HB3   PHE   72 - HN    GLU-  15   9.93 +/- 1.06   0.086% *  0.1413% (0.38   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    THR  118  13.37 +/- 0.84   0.015% *  0.2661% (0.72   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  15  10.95 +/- 0.90   0.043% *  0.0500% (0.13   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  15.34 +/- 1.04   0.006% *  0.2948% (0.79   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  15.26 +/- 0.81   0.006% *  0.2864% (0.77   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  13.98 +/- 1.33   0.011% *  0.1514% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  16.27 +/- 1.15   0.004% *  0.3650% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  17.50 +/- 1.48   0.003% *  0.3399% (0.91   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  15.48 +/- 1.60   0.007% *  0.1220% (0.33   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  15.55 +/- 1.24   0.006% *  0.1313% (0.35   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  13.53 +/- 0.89   0.012% *  0.0498% (0.13   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  18.25 +/- 1.45   0.002% *  0.2941% (0.79   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  16.38 +/- 1.79   0.005% *  0.0770% (0.21   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  19.96 +/- 1.48   0.001% *  0.2376% (0.64   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  20.14 +/- 1.00   0.001% *  0.1313% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  23.60 +/- 1.50   0.000% *  0.2739% (0.74   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  22.45 +/- 1.02   0.001% *  0.1937% (0.52   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  25.69 +/- 1.61   0.000% *  0.1451% (0.39   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  25.68 +/- 1.58   0.000% *  0.1256% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  26.88 +/- 0.83   0.000% *  0.1561% (0.42   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  30.52 +/- 1.90   0.000% *  0.1012% (0.27   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  23.44 +/- 1.44   0.000% *  0.0198% (0.05   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  29.29 +/- 1.81   0.000% *  0.0602% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.99, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.0742, support = 1.97, residual support = 10.8:
      O   QB    GLU-  15 - HN    GLU-  15   2.98 +/- 0.33  88.493% * 48.1788% (0.06  10.0   2.00  11.03) =  97.521%  kept
          QB    GLU- 114 - HN    THR  118   4.85 +/- 0.35   6.019% * 12.1477% (0.48   1.0   0.63   0.02) =   1.673%  kept
          HG3   PRO   58 - HN    PHE   60   6.48 +/- 0.26   1.050% * 31.8994% (0.89   1.0   0.90   0.02) =   0.766%  kept
          HB2   LEU  115 - HN    THR  118   5.63 +/- 0.23   2.306% *  0.5495% (0.69   1.0   0.02   0.02) =   0.029%
          HB2   LEU  115 - HN    PHE   60   8.34 +/- 1.04   0.327% *  0.6819% (0.86   1.0   0.02   0.02) =   0.005%
          HB    ILE   19 - HN    GLU-  15   8.59 +/- 1.35   0.371% *  0.2147% (0.27   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HN    PHE   60   8.37 +/- 0.93   0.231% *  0.1960% (0.25   1.0   0.02   3.06) =   0.001%
          HB2   GLN   17 - HN    GLU-  15   6.80 +/- 0.70   0.857% *  0.0482% (0.06   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    PHE   60  10.90 +/- 0.87   0.044% *  0.3826% (0.48   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    PHE   60  11.71 +/- 0.92   0.034% *  0.4768% (0.60   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  15  11.83 +/- 2.44   0.048% *  0.2389% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLU-  15  11.23 +/- 1.41   0.060% *  0.1522% (0.19   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    PHE   60  13.39 +/- 0.80   0.013% *  0.5400% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    THR  118  13.89 +/- 1.05   0.011% *  0.5681% (0.72   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    PHE   60  15.04 +/- 1.30   0.009% *  0.6007% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLU-  15  10.34 +/- 0.70   0.064% *  0.0780% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    THR  118  13.49 +/- 1.64   0.013% *  0.3084% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR  118  16.59 +/- 2.56   0.008% *  0.4841% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   60  11.82 +/- 0.82   0.026% *  0.1213% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  15.22 +/- 0.81   0.006% *  0.1213% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  20.14 +/- 1.02   0.001% *  0.4352% (0.55   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  16.90 +/- 1.41   0.003% *  0.1580% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  21.22 +/- 1.19   0.001% *  0.2804% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  19.86 +/- 1.13   0.001% *  0.0977% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  20.11 +/- 0.97   0.001% *  0.0977% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  24.63 +/- 1.17   0.000% *  0.2712% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  20.59 +/- 1.50   0.001% *  0.0869% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  24.11 +/- 0.84   0.000% *  0.2186% (0.28   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  24.99 +/- 1.19   0.000% *  0.1896% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  29.12 +/- 0.88   0.000% *  0.1761% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.0922, support = 2.16, residual support = 3.83:
          QG1   ILE   56 - HN    PHE   60   4.01 +/- 0.87  91.167% * 44.9794% (0.09   2.17   3.84) =  99.778%  kept
          HG3   PRO   93 - HN    PHE   60   9.62 +/- 1.62   1.017% *  1.6019% (0.36   0.02   0.02) =   0.040%
          QD    LYS+ 106 - HN    THR  118   8.99 +/- 1.08   1.603% *  0.9894% (0.22   0.02   2.80) =   0.039%
          HB2   LEU   73 - HN    GLU-  15  12.42 +/- 1.46   0.304% *  4.3343% (0.97   0.02   0.02) =   0.032%
          HB2   LEU  123 - HN    THR  118   9.03 +/- 0.64   1.161% *  0.9485% (0.21   0.02   0.02) =   0.027%
          HD2   LYS+ 111 - HN    THR  118   9.93 +/- 0.72   0.702% *  1.1610% (0.26   0.02   0.02) =   0.020%
          QG1   ILE   56 - HN    THR  118   8.17 +/- 0.67   2.656% *  0.2344% (0.05   0.02   0.02) =   0.015%
          HG3   PRO   93 - HN    THR  118  11.39 +/- 1.99   0.416% *  0.9052% (0.20   0.02   0.02) =   0.009%
          HB3   MET   92 - HN    PHE   60  12.44 +/- 0.99   0.161% *  2.0961% (0.47   0.02   0.02) =   0.008%
          HB2   LEU   73 - HN    PHE   60  12.88 +/- 1.03   0.143% *  2.0229% (0.45   0.02   1.32) =   0.007%
          HB2   LEU  123 - HN    PHE   60  13.89 +/- 0.96   0.116% *  1.6784% (0.37   0.02   0.02) =   0.005%
          HD2   LYS+ 111 - HN    PHE   60  14.93 +/- 1.39   0.079% *  2.0546% (0.46   0.02   0.02) =   0.004%
          QD    LYS+ 106 - HN    PHE   60  14.29 +/- 1.00   0.084% *  1.7508% (0.39   0.02   0.02) =   0.004%
          QD    LYS+  99 - HN    THR  118  13.82 +/- 1.35   0.127% *  0.9485% (0.21   0.02   0.02) =   0.003%
          HB3   MET   92 - HN    THR  118  13.76 +/- 1.66   0.089% *  1.1845% (0.26   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    GLU-  15  17.56 +/- 1.64   0.024% *  3.5963% (0.80   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    PHE   60  17.15 +/- 1.19   0.029% *  1.6784% (0.37   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    GLU-  15  21.69 +/- 2.12   0.011% *  3.5963% (0.80   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    GLU-  15  23.52 +/- 2.86   0.009% *  2.5427% (0.57   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    GLU-  15  17.50 +/- 1.66   0.024% *  0.9999% (0.22   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    THR  118  16.87 +/- 1.43   0.026% *  0.6706% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    THR  118  18.50 +/- 0.90   0.015% *  1.1431% (0.25   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    GLU-  15  23.80 +/- 1.01   0.003% *  3.7514% (0.84   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  20.99 +/- 1.97   0.009% *  1.1867% (0.26   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  19.53 +/- 1.37   0.008% *  0.8888% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  25.79 +/- 1.67   0.002% *  3.4323% (0.76   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  27.60 +/- 1.33   0.001% *  4.4912% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  31.29 +/- 1.16   0.001% *  4.4023% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  22.53 +/- 1.08   0.005% *  0.4667% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  20.89 +/- 1.41   0.008% *  0.2637% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 2 structures by 0.23 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 = 2.66, residual support = 41.7:
          QB    ALA   61 - HN    PHE   60   4.29 +/- 0.16  70.622% * 72.6210% (0.25   2.67  41.84) =  99.546%  kept
          HG12  ILE   19 - HN    GLU-  15   7.14 +/- 1.10   4.970% *  1.8506% (0.84   0.02   0.02) =   0.179%
          HD3   LYS+ 121 - HN    THR  118   6.17 +/- 1.48  16.119% *  0.5394% (0.24   0.02   6.30) =   0.169%
          QB    ALA   12 - HN    GLU-  15   7.36 +/- 0.55   3.034% *  0.8315% (0.38   0.02   0.02) =   0.049%
          QB    ALA  110 - HN    PHE   60  10.03 +/- 2.30   0.892% *  0.7902% (0.36   0.02   0.02) =   0.014%
          QB    ALA  110 - HN    THR  118   9.77 +/- 1.45   1.143% *  0.4466% (0.20   0.02   0.02) =   0.010%
          HB3   LYS+  74 - HN    PHE   60  10.54 +/- 0.94   0.485% *  0.9274% (0.42   0.02   0.02) =   0.009%
          QB    ALA   61 - HN    GLU-  15  11.56 +/- 0.99   0.233% *  1.1657% (0.53   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    GLU-  15  11.19 +/- 1.32   0.281% *  0.8315% (0.38   0.02   0.02) =   0.005%
          QG    LYS+  66 - HN    PHE   60   9.11 +/- 0.96   0.938% *  0.2302% (0.10   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    GLU-  15  14.24 +/- 1.09   0.063% *  1.9870% (0.90   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    THR  118  10.73 +/- 1.79   0.506% *  0.1301% (0.06   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    PHE   60  12.10 +/- 1.11   0.158% *  0.3881% (0.18   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    PHE   60  14.61 +/- 0.85   0.050% *  0.9545% (0.43   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    PHE   60  14.71 +/- 1.22   0.052% *  0.8637% (0.39   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.49 +/- 0.66   0.124% *  0.3074% (0.14   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  13.69 +/- 1.26   0.076% *  0.4933% (0.22   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    THR  118  13.95 +/- 0.93   0.065% *  0.3780% (0.17   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    PHE   60  15.67 +/- 1.19   0.034% *  0.6689% (0.30   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLU-  15  17.68 +/- 1.15   0.016% *  1.4333% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  18.04 +/- 1.51   0.015% *  1.0249% (0.46   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  14.23 +/- 1.55   0.063% *  0.2193% (0.10   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  17.96 +/- 1.25   0.015% *  0.7509% (0.34   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  21.01 +/- 1.41   0.006% *  1.6089% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  21.94 +/- 1.04   0.004% *  2.1960% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  23.81 +/- 2.10   0.003% *  2.0453% (0.92   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  18.73 +/- 1.10   0.012% *  0.5240% (0.24   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  23.72 +/- 1.91   0.003% *  1.6932% (0.76   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  21.50 +/- 1.43   0.005% *  0.4881% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  21.17 +/- 1.29   0.006% *  0.3881% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  22.87 +/- 1.47   0.003% *  0.5792% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  22.94 +/- 1.26   0.003% *  0.4243% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  26.29 +/- 1.42   0.001% *  0.2193% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.895, support = 3.77, residual support = 25.9:
      O   QB    ALA   34 - HN    ALA   34   2.01 +/- 0.08  99.412% * 99.2769% (0.89  10.0   3.77  25.88) = 100.000%  kept
          QG2   THR   23 - HN    LEU   80   6.06 +/- 0.84   0.192% *  0.0983% (0.89   1.0   0.02   7.56) =   0.000%
          QG2   THR   39 - HN    ALA   34   5.92 +/- 0.56   0.210% *  0.0308% (0.28   1.0   0.02   9.34) =   0.000%
          QG2   THR   77 - HN    LEU   80   6.28 +/- 0.99   0.167% *  0.0221% (0.20   1.0   0.02   0.52) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   8.94 +/- 0.37   0.014% *  0.0582% (0.52   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.38 +/- 0.94   0.001% *  0.1097% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  12.29 +/- 0.90   0.002% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  15.39 +/- 2.55   0.001% *  0.0720% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.55 +/- 0.43   0.000% *  0.0889% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.98 +/- 2.21   0.000% *  0.0804% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.36 +/- 0.46   0.000% *  0.0246% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.41 +/- 0.57   0.000% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  21.91 +/- 0.82   0.000% *  0.0308% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  26.44 +/- 0.71   0.000% *  0.0522% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.564, support = 3.58, residual support = 25.9:
      O   HA    ALA   34 - HN    ALA   34   2.77 +/- 0.02  96.557% * 82.7252% (0.56  10.0   3.58  25.88) =  99.461%  kept
          HA    LYS+  81 - HN    LEU   80   5.07 +/- 0.25   2.722% * 15.8969% (0.47   1.0   4.62  31.45) =   0.539%  kept
          HA    GLU-  36 - HN    ALA   34   6.85 +/- 0.06   0.425% *  0.0601% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA   34   7.76 +/- 0.21   0.203% *  0.1117% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  10.75 +/- 2.30   0.073% *  0.0548% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.14 +/- 0.53   0.014% *  0.1000% (0.68   1.0   0.02   0.86) =   0.000%
          HA    ARG+  54 - HN    LEU   80  17.71 +/- 2.48   0.003% *  0.1283% (0.88   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  23.52 +/- 3.59   0.000% *  0.1349% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.39 +/- 1.57   0.001% *  0.0950% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.36 +/- 0.60   0.001% *  0.0741% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  21.08 +/- 0.64   0.001% *  0.0769% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.34 +/- 0.92   0.000% *  0.1061% (0.72   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  22.71 +/- 2.91   0.000% *  0.0491% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.45 +/- 2.06   0.000% *  0.1432% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.66 +/- 0.68   0.000% *  0.0538% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.57 +/- 0.73   0.000% *  0.0364% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.44 +/- 1.64   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  32.72 +/- 2.08   0.000% *  0.1208% (0.82   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (4.00, 8.08, 121.56 ppm):
    22 chemical-shift based assignments, quality = 0.974, support = 6.91, residual support = 44.4:
      O   HA    LYS+  33 - HN    ALA   34   3.60 +/- 0.02  72.971% * 91.0144% (0.99  10.0   6.95  45.46) =  97.706%  kept
          HA    GLN   32 - HN    ALA   34   4.49 +/- 0.20  19.813% *  7.8535% (0.34   1.0   5.01   0.12) =   2.289%  kept
          HB2   SER   82 - HN    LEU   80   6.77 +/- 0.46   1.812% *  0.0778% (0.85   1.0   0.02   0.15) =   0.002%
          HA    GLU-  29 - HN    ALA   34   7.00 +/- 0.43   1.482% *  0.0910% (0.99   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.20 +/- 0.60   3.402% *  0.0161% (0.17   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    ALA   34   9.47 +/- 0.71   0.248% *  0.0735% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.87 +/- 1.73   0.149% *  0.0499% (0.54   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.35 +/- 0.83   0.031% *  0.0900% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.57 +/- 0.51   0.042% *  0.0309% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.07 +/- 0.68   0.014% *  0.0815% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  15.85 +/- 0.56   0.010% *  0.0806% (0.88   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  19.45 +/- 1.01   0.003% *  0.0869% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  20.38 +/- 0.81   0.002% *  0.0815% (0.89   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.02 +/- 1.31   0.011% *  0.0163% (0.18   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.59 +/- 0.45   0.002% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.86 +/- 0.52   0.004% *  0.0281% (0.30   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  23.68 +/- 1.49   0.001% *  0.0735% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  24.49 +/- 1.68   0.001% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  22.26 +/- 0.36   0.001% *  0.0345% (0.37   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.40 +/- 0.85   0.001% *  0.0557% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.68 +/- 0.70   0.001% *  0.0144% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.03 +/- 0.93   0.000% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.761, support = 5.73, residual support = 45.1:
          HG3   LYS+  33 - HN    ALA   34   3.44 +/- 0.41  92.538% * 83.6249% (0.76   5.77  45.46) =  99.215%  kept
          QB    ALA   84 - HN    LEU   80   5.74 +/- 0.46   5.990% * 10.1754% (0.54   0.99   0.02) =   0.781%  kept
          HB    VAL   42 - HN    ALA   34   9.61 +/- 0.68   0.249% *  0.3170% (0.83   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   34  10.35 +/- 0.80   0.159% *  0.3403% (0.89   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    ALA   34   8.40 +/- 0.73   0.585% *  0.0665% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   80  10.79 +/- 0.49   0.116% *  0.3048% (0.80   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   34  10.37 +/- 1.04   0.166% *  0.1847% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  14.60 +/- 1.61   0.024% *  0.3503% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  12.63 +/- 1.01   0.054% *  0.0848% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  15.05 +/- 2.55   0.022% *  0.1424% (0.37   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  16.26 +/- 1.40   0.012% *  0.2199% (0.58   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  16.67 +/- 0.71   0.009% *  0.2839% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  17.54 +/- 0.63   0.006% *  0.3786% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  17.21 +/- 0.53   0.007% *  0.2302% (0.61   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  17.11 +/- 1.52   0.008% *  0.1654% (0.44   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  19.62 +/- 1.50   0.004% *  0.3170% (0.83   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  19.94 +/- 1.09   0.003% *  0.3391% (0.89   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  19.23 +/- 1.40   0.004% *  0.2598% (0.68   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  20.00 +/- 3.62   0.007% *  0.1424% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  16.05 +/- 0.53   0.011% *  0.0946% (0.25   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  16.54 +/- 0.98   0.010% *  0.0595% (0.16   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  22.61 +/- 1.45   0.001% *  0.2839% (0.75   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  17.76 +/- 1.15   0.006% *  0.0665% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  22.81 +/- 0.98   0.001% *  0.2455% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  25.24 +/- 2.03   0.001% *  0.3280% (0.86   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  24.29 +/- 1.53   0.001% *  0.3138% (0.82   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  22.96 +/- 2.08   0.001% *  0.1276% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  20.00 +/- 1.18   0.003% *  0.0595% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  29.06 +/- 1.34   0.000% *  0.3662% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  27.67 +/- 1.97   0.000% *  0.1276% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.725, support = 5.9, residual support = 45.2:
          QB    LYS+  33 - HN    ALA   34   2.97 +/- 0.23  95.634% * 53.2342% (0.72   5.93  45.46) =  98.050%  kept
          QB    LYS+  81 - HN    LEU   80   5.65 +/- 0.30   2.347% * 42.9811% (0.78   4.47  31.45) =   1.943%  kept
          HB3   GLN   30 - HN    ALA   34   5.96 +/- 0.51   1.779% *  0.1699% (0.69   0.02   0.47) =   0.006%
          HB3   LYS+  38 - HN    ALA   34   8.97 +/- 0.20   0.135% *  0.2146% (0.87   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU   80  11.60 +/- 1.65   0.045% *  0.1774% (0.72   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.70 +/- 0.70   0.019% *  0.1522% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  15.73 +/- 0.66   0.005% *  0.2219% (0.89   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  15.99 +/- 0.98   0.004% *  0.1987% (0.80   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  15.66 +/- 2.04   0.007% *  0.1166% (0.47   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.29 +/- 0.63   0.006% *  0.1302% (0.52   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.61 +/- 0.94   0.004% *  0.1609% (0.65   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.19 +/- 1.06   0.003% *  0.1500% (0.61   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.69 +/- 2.85   0.003% *  0.1254% (0.51   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.00 +/- 1.04   0.003% *  0.1204% (0.49   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  19.52 +/- 1.91   0.001% *  0.2138% (0.86   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  20.34 +/- 0.55   0.001% *  0.2146% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  20.77 +/- 1.23   0.001% *  0.1166% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.03 +/- 0.88   0.001% *  0.1344% (0.54   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.67 +/- 1.47   0.000% *  0.2387% (0.96   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  24.40 +/- 1.06   0.000% *  0.1981% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  22.32 +/- 1.44   0.001% *  0.0756% (0.30   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  26.35 +/- 0.47   0.000% *  0.1922% (0.78   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.77 +/- 0.55   0.000% *  0.1302% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.09 +/- 1.04   0.000% *  0.0844% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.25 +/- 2.23   0.000% *  0.1401% (0.56   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.28 +/- 1.40   0.000% *  0.1079% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.494, support = 7.22, residual support = 79.4:
      O   HA    LEU   80 - HN    LEU   80   2.72 +/- 0.22  95.092% * 72.1351% (0.50  10.0   7.27  79.95) =  99.322%  kept
          HA    ASP-  78 - HN    LEU   80   6.12 +/- 0.67   1.261% * 21.6242% (0.94   1.0   3.16   2.80) =   0.395%
          HA    THR   23 - HN    LEU   80   5.00 +/- 0.91   3.349% *  5.8284% (0.85   1.0   0.95   7.56) =   0.283%
          HB    THR   23 - HN    LEU   80   7.47 +/- 1.01   0.289% *  0.0515% (0.36   1.0   0.02   7.56) =   0.000%
          HA    THR   23 - HN    ALA   34  15.70 +/- 0.33   0.003% *  0.1017% (0.70   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  14.97 +/- 0.85   0.004% *  0.0425% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  18.29 +/- 0.73   0.001% *  0.0596% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.85 +/- 0.45   0.000% *  0.1131% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.19 +/- 0.61   0.001% *  0.0199% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  22.37 +/- 0.90   0.000% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 5.46, residual support = 48.5:
      O   HA    GLU-  79 - HN    LEU   80   3.42 +/- 0.30  96.083% * 98.8868% (0.76  10.0   5.46  48.53) =  99.998%  kept
          HA    THR   39 - HN    ALA   34   7.34 +/- 0.37   1.145% *  0.0886% (0.68   1.0   0.02   9.34) =   0.001%
          HB    THR   77 - HN    LEU   80   7.16 +/- 1.13   2.537% *  0.0381% (0.29   1.0   0.02   0.52) =   0.001%
          HA    SER   85 - HN    LEU   80  11.10 +/- 0.43   0.096% *  0.0381% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  12.30 +/- 0.86   0.059% *  0.0308% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  13.27 +/- 1.06   0.033% *  0.0420% (0.32   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  17.24 +/- 1.86   0.008% *  0.1210% (0.93   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  18.00 +/- 1.34   0.006% *  0.1168% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.16 +/- 0.44   0.014% *  0.0255% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  22.40 +/- 1.90   0.002% *  0.1001% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  21.36 +/- 0.61   0.002% *  0.0818% (0.63   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  19.12 +/- 3.32   0.006% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  20.37 +/- 1.42   0.003% *  0.0508% (0.39   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  23.33 +/- 0.49   0.001% *  0.1071% (0.82   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  21.85 +/- 0.46   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  22.18 +/- 0.87   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  24.62 +/- 1.18   0.001% *  0.0284% (0.22   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  30.23 +/- 1.04   0.000% *  0.0966% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  27.31 +/- 1.39   0.000% *  0.0343% (0.26   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  30.26 +/- 2.36   0.000% *  0.0275% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 5.48, residual support = 48.2:
          HB3   GLU-  79 - HN    LEU   80   2.50 +/- 0.63  96.541% * 78.0411% (0.79   5.51  48.53) =  99.217%  kept
          QB    GLU-  36 - HN    ALA   34   5.17 +/- 0.21   3.034% * 19.5658% (0.70   1.56   0.02) =   0.782%  kept
          HB3   GLU-  29 - HN    ALA   34   7.99 +/- 0.63   0.198% *  0.2798% (0.78   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ALA   34   8.62 +/- 0.20   0.131% *  0.0865% (0.24   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.51 +/- 1.50   0.034% *  0.3131% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34  10.00 +/- 0.70   0.047% *  0.2143% (0.60   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  14.65 +/- 0.83   0.006% *  0.3384% (0.94   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  13.99 +/- 0.98   0.007% *  0.2592% (0.72   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.63 +/- 0.76   0.001% *  0.3041% (0.85   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  19.18 +/- 0.88   0.001% *  0.2342% (0.65   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  25.08 +/- 0.77   0.000% *  0.2588% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  26.55 +/- 0.48   0.000% *  0.1047% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.51 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   2.68 +/- 0.07  99.991% * 98.7794% (0.80 10.00   4.04  18.75) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  20.30 +/- 0.58   0.001% *  0.8847% (0.72 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  18.25 +/- 2.98   0.002% *  0.1223% (0.99  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.06 +/- 0.60   0.005% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.66 +/- 0.73   0.001% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.91 +/- 2.10   0.000% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.14 +/- 1.63   0.000% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.97 +/- 0.86   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 5.0, residual support = 31.5:
          HN    LYS+  81 - HN    LEU   80   3.64 +/- 0.35  98.379% * 98.3041% (0.89   5.00  31.45) =  99.998%  kept
          HE3   TRP   27 - HN    ALA   34   8.81 +/- 1.52   0.762% *  0.0979% (0.22   0.02   0.02) =   0.001%
          HE3   TRP   27 - HN    LEU   80   9.93 +/- 1.57   0.774% *  0.0877% (0.20   0.02   6.41) =   0.001%
          QD    PHE   60 - HN    LEU   80  13.80 +/- 0.96   0.042% *  0.3155% (0.72   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  15.42 +/- 1.25   0.023% *  0.3523% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  20.58 +/- 0.60   0.003% *  0.4390% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.21 +/- 0.83   0.007% *  0.1358% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  19.63 +/- 1.90   0.006% *  0.0690% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.39 +/- 0.88   0.002% *  0.1216% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  25.67 +/- 1.32   0.001% *  0.0770% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.712, support = 1.15, residual support = 4.37:
          HA    GLN   30 - HN    ALA   34   4.61 +/- 0.50  46.487% * 33.7609% (0.80   0.89   0.47) =  54.177%  kept
          HB    THR   39 - HN    ALA   34   5.08 +/- 0.67  29.743% * 42.9085% (0.61   1.50   9.34) =  44.055%  kept
          HB3   SER   82 - HN    LEU   80   7.42 +/- 0.43   2.640% * 16.0128% (0.82   0.41   0.15) =   1.460%  kept
          HB3   SER   37 - HN    ALA   34   5.31 +/- 0.58  20.753% *  0.4229% (0.45   0.02   0.02) =   0.303%
          HA    ILE   89 - HN    LEU   80  11.81 +/- 0.76   0.165% *  0.3788% (0.40   0.02   0.02) =   0.002%
          QB    SER   13 - HN    ALA   34  14.92 +/- 2.48   0.069% *  0.6102% (0.65   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    LEU   80  15.10 +/- 0.73   0.037% *  0.6765% (0.72   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    LEU   80  14.63 +/- 1.27   0.049% *  0.3171% (0.34   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   80  17.34 +/- 1.38   0.018% *  0.7328% (0.78   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   34  18.26 +/- 1.06   0.012% *  0.8707% (0.92   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  20.94 +/- 0.63   0.005% *  0.5124% (0.54   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  21.17 +/- 0.36   0.005% *  0.4229% (0.45   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  23.90 +/- 1.07   0.002% *  0.5465% (0.58   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  22.96 +/- 0.77   0.003% *  0.3788% (0.40   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  20.82 +/- 0.82   0.005% *  0.1455% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  24.90 +/- 1.15   0.002% *  0.3540% (0.37   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  29.60 +/- 0.91   0.001% *  0.8182% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  21.98 +/- 1.39   0.004% *  0.1304% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.755, support = 1.72, residual support = 4.68:
          HA    LEU   31 - HN    ALA   34   3.06 +/- 0.21  87.427% * 87.2028% (0.76   1.75   4.76) =  98.153%  kept
          HA    THR   77 - HN    LEU   80   4.85 +/- 1.19  12.567% * 11.4123% (0.34   0.52   0.52) =   1.846%  kept
          HA    LEU   31 - HN    LEU   80  16.10 +/- 0.57   0.005% *  0.8944% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  20.10 +/- 0.53   0.001% *  0.4904% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.329, support = 2.44, residual support = 4.42:
          HA    ASP-  78 - HN    LEU   80   6.12 +/- 0.67  20.523% * 78.8022% (0.40   3.16   2.80) =  68.031%  kept
          HA    THR   23 - HN    LEU   80   5.00 +/- 0.91  59.691% * 10.4308% (0.18   0.95   7.56) =  26.191%  kept
          HA    VAL   41 - HN    ALA   34   6.08 +/- 0.45  16.548% *  8.1534% (0.17   0.75   9.40) =   5.676%  kept
          HA    PHE   45 - HN    LEU   80   8.50 +/- 1.03   3.124% *  0.7638% (0.61   0.02   0.02) =   0.100%
          HA    PHE   45 - HN    ALA   34  16.94 +/- 0.46   0.031% *  0.8528% (0.69   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  15.70 +/- 0.33   0.049% *  0.2457% (0.20   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    LEU   80  17.11 +/- 0.55   0.030% *  0.1947% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.85 +/- 0.45   0.004% *  0.5566% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 1 structures by 0.45 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.667, support = 3.9, residual support = 20.7:
          HB2   ASP-  76 - HN    LEU   80   4.59 +/- 0.77  52.949% * 26.3885% (0.75   2.86   2.50) =  47.116%  kept
          QE    LYS+  33 - HN    ALA   34   4.89 +/- 0.35  37.444% * 33.4332% (0.52   5.14  45.46) =  42.215%  kept
          HB2   ASP-  78 - HN    LEU   80   6.21 +/- 0.53   8.133% * 38.8870% (0.88   3.59   2.80) =  10.665%  kept
          HB2   ASN   28 - HN    ALA   34   9.40 +/- 0.34   0.682% *  0.1016% (0.41   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    ALA   34  12.48 +/- 1.05   0.122% *  0.1794% (0.72   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    LEU   80  10.04 +/- 0.38   0.452% *  0.0299% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    LEU   80  12.30 +/- 0.59   0.145% *  0.0910% (0.37   0.02   0.86) =   0.000%
          QE    LYS+  33 - HN    LEU   80  17.20 +/- 1.30   0.019% *  0.1164% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  19.30 +/- 0.81   0.009% *  0.2064% (0.83   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.37 +/- 0.53   0.024% *  0.0334% (0.14   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  18.67 +/- 1.73   0.012% *  0.0687% (0.28   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.38 +/- 0.70   0.003% *  0.2422% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.59 +/- 1.58   0.006% *  0.0615% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.13 +/- 0.81   0.001% *  0.1607% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 5.38, residual support = 48.5:
          HB2   GLU-  79 - HN    LEU   80   2.63 +/- 0.76  98.397% * 94.5367% (0.44   5.38  48.53) =  99.995%  kept
          HG3   GLU-  36 - HN    ALA   34   6.88 +/- 0.57   1.537% *  0.2751% (0.34   0.02   0.02) =   0.005%
          HG3   GLU-  25 - HN    LEU   80  11.82 +/- 0.91   0.030% *  0.7081% (0.88   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  14.77 +/- 0.47   0.008% *  0.7906% (0.98   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  16.45 +/- 2.58   0.017% *  0.2464% (0.30   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  16.56 +/- 1.43   0.005% *  0.6267% (0.78   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.29 +/- 0.97   0.001% *  0.3926% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.70 +/- 1.44   0.001% *  0.2970% (0.37   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.25 +/- 0.96   0.001% *  0.3316% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.50 +/- 1.58   0.001% *  0.2711% (0.34   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  28.07 +/- 1.39   0.000% *  0.6997% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.86 +/- 0.95   0.000% *  0.3027% (0.37   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  23.96 +/- 0.70   0.000% *  0.2464% (0.30   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.74 +/- 1.23   0.000% *  0.2751% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.775, support = 5.48, residual support = 48.1:
          HB3   GLU-  79 - HN    LEU   80   2.50 +/- 0.63  91.917% * 76.0516% (0.78   5.51  48.53) =  99.171%  kept
          QB    GLU-  36 - HN    ALA   34   5.17 +/- 0.21   2.622% * 22.1360% (0.80   1.56   0.02) =   0.823%  kept
          QB    GLN   32 - HN    ALA   34   4.88 +/- 0.11   3.156% *  0.0622% (0.17   0.02   0.12) =   0.003%
          HB    VAL   24 - HN    LEU   80   6.10 +/- 1.07   1.964% *  0.0708% (0.20   0.02   9.65) =   0.002%
          HB3   GLU-  29 - HN    ALA   34   7.99 +/- 0.63   0.173% *  0.1729% (0.49   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    ALA   34   8.98 +/- 1.11   0.078% *  0.1729% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.51 +/- 1.50   0.030% *  0.0982% (0.28   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34  10.00 +/- 0.70   0.041% *  0.0622% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  14.65 +/- 0.83   0.005% *  0.1549% (0.44   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  13.99 +/- 0.98   0.006% *  0.0557% (0.16   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  15.00 +/- 0.33   0.004% *  0.0791% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  19.18 +/- 0.88   0.001% *  0.3082% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.63 +/- 0.76   0.001% *  0.2548% (0.72   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  15.93 +/- 0.54   0.003% *  0.0557% (0.16   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  24.34 +/- 1.02   0.000% *  0.1549% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  25.08 +/- 0.77   0.000% *  0.1097% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.222, residual support = 0.443:
          QG1   VAL   75 - HN    LEU   80   4.06 +/- 0.56  99.850% * 75.1159% (0.68   0.22   0.44) =  99.984%  kept
          QG1   VAL   75 - HN    ALA   34  13.18 +/- 0.39   0.113% *  7.5640% (0.76   0.02   0.02) =   0.011%
          QD1   LEU  115 - HN    LEU   80  17.11 +/- 1.73   0.024% *  8.1834% (0.82   0.02   0.02) =   0.003%
          QD1   LEU  115 - HN    ALA   34  19.46 +/- 1.52   0.013% *  9.1366% (0.92   0.02   0.02) =   0.002%
    Distance limit 4.50 A violated in 0 structures by 0.05 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 = 0.291, support = 6.59, residual support = 79.5:
          QD2   LEU   80 - HN    LEU   80   3.00 +/- 0.86  35.180% * 53.1002% (0.40   5.99  79.95) =  50.716%  kept
          QD1   LEU   80 - HN    LEU   80   2.51 +/- 0.86  62.944% * 28.4730% (0.18   7.27  79.95) =  48.657%  kept
          QG2   VAL   41 - HN    ALA   34   4.83 +/- 0.57   1.525% * 15.0732% (0.34   2.00   9.40) =   0.624%  kept
          QD1   LEU   73 - HN    ALA   34   6.44 +/- 0.85   0.216% *  0.3691% (0.83   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    LEU   80   9.64 +/- 0.75   0.023% *  0.3306% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ALA   34   8.18 +/- 1.03   0.081% *  0.0874% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.17 +/- 1.92   0.004% *  0.3963% (0.89   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.52 +/- 1.71   0.003% *  0.3691% (0.83   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  11.54 +/- 0.84   0.008% *  0.1102% (0.25   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  12.62 +/- 0.99   0.003% *  0.1981% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.32 +/- 1.91   0.002% *  0.3306% (0.75   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  13.18 +/- 0.58   0.003% *  0.1350% (0.30   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  13.47 +/- 0.97   0.003% *  0.0874% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.89 +/- 1.66   0.001% *  0.3550% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  13.46 +/- 1.10   0.003% *  0.0783% (0.18   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  17.83 +/- 1.87   0.001% *  0.1927% (0.44   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  18.93 +/- 1.61   0.000% *  0.2151% (0.49   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.08 +/- 1.24   0.000% *  0.0987% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.625, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  19.92 +/- 2.54  16.447% * 31.5414% (1.00   0.02   0.02) =  39.585%  kept
          HB3   LEU  104 - HN    ALA   34  15.72 +/- 0.68  56.629% *  7.0378% (0.22   0.02   0.02) =  30.412%  kept
          HG3   LYS+ 121 - HN    ALA   34  19.60 +/- 1.36  15.543% * 14.1725% (0.45   0.02   0.02) =  16.810%  kept
          QD2   LEU  123 - HN    LEU   80  24.88 +/- 1.75   3.754% * 28.2508% (0.89   0.02   0.02) =   8.093%  kept
          HG3   LYS+ 121 - HN    LEU   80  26.01 +/- 1.30   2.936% * 12.6939% (0.40   0.02   0.02) =   2.844%  kept
          HB3   LEU  104 - HN    LEU   80  23.93 +/- 0.92   4.691% *  6.3036% (0.20   0.02   0.02) =   2.256%  kept
    Distance limit 4.32 A violated in 20 structures by 9.94 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.745, support = 5.89, residual support = 45.1:
          QB    LYS+  33 - HN    ALA   34   2.97 +/- 0.23  95.634% * 49.2819% (0.74   5.93  45.46) =  97.688%  kept
          QB    LYS+  81 - HN    LEU   80   5.65 +/- 0.30   2.347% * 47.4431% (0.94   4.47  31.45) =   2.308%  kept
          HB3   GLN   30 - HN    ALA   34   5.96 +/- 0.51   1.779% *  0.0723% (0.32   0.02   0.47) =   0.003%
          HB3   LYS+  38 - HN    ALA   34   8.97 +/- 0.20   0.135% *  0.1066% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  11.60 +/- 1.65   0.045% *  0.2084% (0.93   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.70 +/- 0.70   0.019% *  0.0874% (0.39   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  15.99 +/- 0.98   0.004% *  0.2126% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  15.73 +/- 0.66   0.005% *  0.1758% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.29 +/- 0.63   0.006% *  0.1408% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.61 +/- 0.94   0.004% *  0.2011% (0.89   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.69 +/- 2.85   0.003% *  0.1776% (0.79   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.19 +/- 1.06   0.003% *  0.1525% (0.68   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.00 +/- 1.04   0.003% *  0.1344% (0.60   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  15.66 +/- 2.04   0.007% *  0.0591% (0.26   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  19.52 +/- 1.91   0.001% *  0.1625% (0.72   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  20.34 +/- 0.55   0.001% *  0.1754% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  20.77 +/- 1.23   0.001% *  0.1703% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.03 +/- 0.88   0.001% *  0.1844% (0.82   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  24.40 +/- 1.06   0.000% *  0.1723% (0.77   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.67 +/- 1.47   0.000% *  0.1344% (0.60   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.28 +/- 1.40   0.000% *  0.1625% (0.72   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  26.35 +/- 0.47   0.000% *  0.1290% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.25 +/- 2.23   0.000% *  0.1468% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  22.32 +/- 1.44   0.001% *  0.0328% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.77 +/- 0.55   0.000% *  0.0489% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.09 +/- 1.04   0.000% *  0.0271% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 3.77, residual support = 25.9:
      O   QB    ALA   34 - HN    ALA   34   2.01 +/- 0.08  99.614% * 98.3406% (0.24  10.0   3.77  25.88) =  99.999%  kept
          QG2   THR   77 - HN    LEU   80   6.28 +/- 0.99   0.168% *  0.3086% (0.76   1.0   0.02   0.52) =   0.001%
          QG2   THR   23 - HN    LEU   80   6.06 +/- 0.84   0.193% *  0.2493% (0.61   1.0   0.02   7.56) =   0.000%
          HG2   LYS+  38 - HN    ALA   34   8.36 +/- 0.29   0.020% *  0.0492% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  12.22 +/- 0.42   0.002% *  0.1584% (0.39   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.38 +/- 0.94   0.001% *  0.2061% (0.51   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.36 +/- 0.46   0.000% *  0.2551% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.55 +/- 0.43   0.000% *  0.1189% (0.29   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  15.39 +/- 2.55   0.001% *  0.0675% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  18.91 +/- 0.29   0.000% *  0.1310% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.98 +/- 2.21   0.000% *  0.0558% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  26.13 +/- 0.70   0.000% *  0.0595% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.417, support = 6.16, residual support = 80.0:
      O   HB2   LEU   80 - HN    LEU   80   2.78 +/- 0.60  67.947% * 49.5443% (0.26  10.0   5.91  79.95) =  68.792%  kept
          HG    LEU   80 - HN    LEU   80   3.49 +/- 0.77  31.843% * 47.9588% (0.76   1.0   6.72  79.95) =  31.207%  kept
          HG    LEU   73 - HN    ALA   34   8.29 +/- 0.60   0.099% *  0.1231% (0.65   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   34  11.12 +/- 1.34   0.020% *  0.1012% (0.54   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34  10.22 +/- 0.81   0.029% *  0.0503% (0.27   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  12.99 +/- 0.65   0.006% *  0.1488% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80   9.92 +/- 0.80   0.027% *  0.0275% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  13.95 +/- 1.01   0.004% *  0.1470% (0.78   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  14.42 +/- 1.62   0.006% *  0.1070% (0.57   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  15.68 +/- 0.79   0.003% *  0.1224% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  15.69 +/- 0.68   0.002% *  0.1180% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  15.91 +/- 0.86   0.002% *  0.1686% (0.89   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  16.97 +/- 0.76   0.001% *  0.1394% (0.74   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  16.77 +/- 1.71   0.001% *  0.1362% (0.72   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  18.41 +/- 0.92   0.001% *  0.1422% (0.75   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  14.69 +/- 1.22   0.003% *  0.0367% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  16.54 +/- 0.62   0.002% *  0.0410% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  15.62 +/- 0.86   0.002% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  22.90 +/- 1.22   0.000% *  0.1778% (0.94   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  23.24 +/- 1.05   0.000% *  0.1720% (0.91   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  22.52 +/- 1.03   0.000% *  0.1126% (0.60   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  24.34 +/- 1.27   0.000% *  0.1294% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  21.01 +/- 1.38   0.000% *  0.0608% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  20.96 +/- 1.76   0.000% *  0.0608% (0.32   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  20.36 +/- 2.24   0.001% *  0.0258% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  23.25 +/- 1.42   0.000% *  0.0503% (0.27   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  23.51 +/- 1.25   0.000% *  0.0444% (0.24   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  25.94 +/- 1.22   0.000% *  0.0312% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.732, support = 0.776, residual support = 8.59:
          QG1   VAL   41 - HN    ALA   34   4.71 +/- 0.52  66.181% * 48.6973% (0.78   0.75   9.40) =  82.870%  kept
          HG    LEU   31 - HN    ALA   34   6.02 +/- 0.39  16.808% * 38.8072% (0.51   0.92   4.76) =  16.772%  kept
          QD2   LEU   73 - HN    ALA   34   7.21 +/- 1.01   6.984% *  0.6335% (0.38   0.02   0.02) =   0.114%
          QG2   THR   46 - HN    LEU   80   8.38 +/- 1.58   4.030% *  0.9547% (0.57   0.02   0.02) =   0.099%
          QG1   VAL   43 - HN    ALA   34   8.17 +/- 0.46   2.733% *  1.2014% (0.72   0.02   0.02) =   0.084%
          QG1   VAL   43 - HN    LEU   80  10.70 +/- 0.79   0.565% *  1.4531% (0.87   0.02   0.02) =   0.021%
          QD2   LEU   73 - HN    LEU   80  10.74 +/- 0.83   0.562% *  0.7662% (0.46   0.02   0.02) =   0.011%
          QD1   ILE   19 - HN    ALA   34   9.69 +/- 1.40   1.083% *  0.3619% (0.22   0.02   0.02) =   0.010%
          QG2   VAL   18 - HN    LEU   80  13.25 +/- 0.86   0.151% *  1.1430% (0.69   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    ALA   34  13.14 +/- 0.75   0.158% *  0.9451% (0.57   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    LEU   80  13.60 +/- 0.71   0.132% *  1.0183% (0.61   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    LEU   80  15.37 +/- 0.69   0.057% *  1.5706% (0.94   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    LEU   80  12.76 +/- 0.93   0.190% *  0.4377% (0.26   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    ALA   34  12.09 +/- 0.60   0.247% *  0.2279% (0.14   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ALA   34  16.72 +/- 0.63   0.036% *  0.7894% (0.47   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   80  16.45 +/- 1.65   0.060% *  0.3925% (0.24   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    ALA   34  20.15 +/- 1.66   0.015% *  0.3245% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  20.21 +/- 0.91   0.011% *  0.2757% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 5.98, residual support = 79.9:
          QD2   LEU   80 - HN    LEU   80   3.00 +/- 0.86  91.424% * 96.9166% (0.85   5.99  79.95) =  99.985%  kept
          QD1   LEU   73 - HN    ALA   34   6.44 +/- 0.85   2.437% *  0.2927% (0.77   0.02   0.02) =   0.008%
          QG1   VAL   83 - HN    LEU   80   5.60 +/- 0.52   5.744% *  0.0900% (0.24   0.02   0.02) =   0.006%
          QD1   LEU   73 - HN    LEU   80   9.64 +/- 0.75   0.177% *  0.3540% (0.93   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   34  11.54 +/- 0.84   0.062% *  0.2051% (0.54   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  12.62 +/- 0.99   0.044% *  0.2678% (0.70   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.52 +/- 1.71   0.017% *  0.2927% (0.77   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  11.95 +/- 0.59   0.047% *  0.0745% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.32 +/- 1.91   0.009% *  0.3540% (0.93   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.17 +/- 1.92   0.021% *  0.1339% (0.35   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  17.83 +/- 1.87   0.006% *  0.3334% (0.87   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  18.93 +/- 1.61   0.003% *  0.2756% (0.72   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.89 +/- 1.66   0.005% *  0.1619% (0.42   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.08 +/- 1.24   0.002% *  0.2481% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 0.222, residual support = 0.443:
          QG1   VAL   75 - HN    LEU   80   4.06 +/- 0.56  99.850% * 84.8141% (0.46   0.22   0.44) =  99.990%  kept
          QG1   VAL   75 - HN    ALA   34  13.18 +/- 0.39   0.113% *  6.3248% (0.38   0.02   0.02) =   0.008%
          QD1   LEU  115 - HN    LEU   80  17.11 +/- 1.73   0.024% *  4.8506% (0.29   0.02   0.02) =   0.001%
          QD1   LEU  115 - HN    ALA   34  19.46 +/- 1.52   0.013% *  4.0105% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 0 structures by 0.12 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 = 3.56, residual support = 25.8:
      O   HA    ALA   34 - HN    ALA   34   2.77 +/- 0.02  96.491% * 89.0710% (0.63  10.0   3.58  25.88) =  99.697%  kept
          HA    LYS+  81 - HN    LEU   80   5.07 +/- 0.25   2.720% *  9.5868% (0.29   1.0   4.62  31.45) =   0.302%
          HA    ASN   28 - HN    ALA   34   7.76 +/- 0.21   0.203% *  0.1052% (0.74   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   34   6.85 +/- 0.06   0.425% *  0.0248% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  10.75 +/- 2.30   0.073% *  0.0675% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.14 +/- 0.53   0.014% *  0.1273% (0.89   1.0   0.02   0.86) =   0.000%
          HA    THR   26 - HN    ALA   34   9.85 +/- 0.35   0.049% *  0.0195% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  11.57 +/- 0.82   0.020% *  0.0236% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  17.71 +/- 2.48   0.003% *  0.1124% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.36 +/- 0.60   0.001% *  0.1077% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.39 +/- 1.57   0.001% *  0.1242% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  22.71 +/- 2.91   0.000% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.34 +/- 0.92   0.000% *  0.1027% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  23.52 +/- 3.59   0.000% *  0.0808% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  21.08 +/- 0.64   0.001% *  0.0343% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.45 +/- 2.06   0.000% *  0.0929% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.44 +/- 1.64   0.000% *  0.0603% (0.42   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.57 +/- 0.73   0.000% *  0.0499% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.66 +/- 0.68   0.000% *  0.0300% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  32.72 +/- 2.08   0.000% *  0.0977% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.592, support = 1.72, residual support = 4.65:
          HA    LEU   31 - HN    ALA   34   3.06 +/- 0.21  87.427% * 83.5984% (0.60   1.75   4.76) =  97.523%  kept
          HA    THR   77 - HN    LEU   80   4.85 +/- 1.19  12.567% * 14.7736% (0.36   0.52   0.52) =   2.477%  kept
          HA    LEU   31 - HN    LEU   80  16.10 +/- 0.57   0.005% *  1.1579% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  20.10 +/- 0.53   0.001% *  0.4701% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.628, support = 4.09, residual support = 24.1:
          QE    LYS+  33 - HN    ALA   34   4.89 +/- 0.35  37.444% * 37.7616% (0.60   5.14  45.46) =  50.292%  kept
          HB2   ASP-  76 - HN    LEU   80   4.59 +/- 0.77  52.949% * 20.1196% (0.57   2.86   2.50) =  37.891%  kept
          HB2   ASP-  78 - HN    LEU   80   6.21 +/- 0.53   8.133% * 40.8305% (0.93   3.59   2.80) =  11.811%  kept
          HB2   ASN   28 - HN    ALA   34   9.40 +/- 0.34   0.682% *  0.1243% (0.51   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    LEU   80  10.04 +/- 0.38   0.452% *  0.0646% (0.26   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  12.30 +/- 0.59   0.145% *  0.1503% (0.61   0.02   0.86) =   0.001%
          HB2   ASN   69 - HN    ALA   34  12.48 +/- 1.05   0.122% *  0.0935% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  17.20 +/- 1.30   0.019% *  0.1776% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.37 +/- 0.53   0.024% *  0.0534% (0.22   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  18.67 +/- 1.73   0.012% *  0.0935% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  19.30 +/- 0.81   0.009% *  0.1165% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.59 +/- 1.58   0.006% *  0.1131% (0.46   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.38 +/- 0.70   0.003% *  0.1883% (0.77   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.13 +/- 0.81   0.001% *  0.1131% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.38, residual support = 48.5:
          HB2   GLU-  79 - HN    LEU   80   2.63 +/- 0.76  98.397% * 95.2951% (0.46   5.38  48.53) =  99.996%  kept
          HG3   GLU-  36 - HN    ALA   34   6.88 +/- 0.57   1.537% *  0.2054% (0.27   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HN    LEU   80  11.82 +/- 0.91   0.030% *  0.7138% (0.93   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  14.77 +/- 0.47   0.008% *  0.5902% (0.77   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  16.45 +/- 2.58   0.017% *  0.2484% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  16.56 +/- 1.43   0.005% *  0.6317% (0.82   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.29 +/- 0.97   0.001% *  0.2931% (0.38   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.70 +/- 1.44   0.001% *  0.2994% (0.39   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.25 +/- 0.96   0.001% *  0.2475% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.50 +/- 1.58   0.001% *  0.2733% (0.36   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  23.96 +/- 0.70   0.000% *  0.2484% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  28.07 +/- 1.39   0.000% *  0.5223% (0.68   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.86 +/- 0.95   0.000% *  0.2260% (0.29   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.74 +/- 1.23   0.000% *  0.2054% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.772, support = 6.92, residual support = 44.6:
      O   HA    LYS+  33 - HN    ALA   34   3.60 +/- 0.02  72.971% * 92.2533% (0.78  10.0   6.95  45.46) =  98.136%  kept
          HA    GLN   32 - HN    ALA   34   4.49 +/- 0.20  19.813% *  6.4311% (0.22   1.0   5.01   0.12) =   1.857%  kept
          HB2   SER   82 - HN    LEU   80   6.77 +/- 0.46   1.812% *  0.1001% (0.85   1.0   0.02   0.15) =   0.003%
          HA    GLU-  29 - HN    ALA   34   7.00 +/- 0.43   1.482% *  0.0890% (0.75   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.20 +/- 0.60   3.402% *  0.0205% (0.17   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    ALA   34   9.47 +/- 0.71   0.248% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.87 +/- 1.73   0.149% *  0.0587% (0.50   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.35 +/- 0.83   0.031% *  0.0873% (0.74   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.07 +/- 0.68   0.014% *  0.1077% (0.91   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.57 +/- 0.51   0.042% *  0.0344% (0.29   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  15.85 +/- 0.56   0.010% *  0.1055% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  19.45 +/- 1.01   0.003% *  0.0827% (0.70   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  20.38 +/- 0.81   0.002% *  0.1116% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.02 +/- 1.31   0.011% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.59 +/- 0.45   0.002% *  0.0968% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.86 +/- 0.52   0.004% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  23.68 +/- 1.49   0.001% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  24.49 +/- 1.68   0.001% *  0.0968% (0.82   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  22.26 +/- 0.36   0.001% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.40 +/- 0.85   0.001% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.68 +/- 0.70   0.001% *  0.0248% (0.21   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.03 +/- 0.93   0.000% *  0.0142% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 0.331, support = 0.0199, residual support = 0.273:
          HN    GLN   30 - HN    ALA   34   6.24 +/- 0.37  77.860% *  3.3143% (0.17  1.00   0.02   0.47) =  56.372%  kept
          HN    GLU-  29 - HN    ALA   34   8.42 +/- 0.36  12.830% * 11.4785% (0.61  1.00   0.02   0.02) =  32.171%  kept
          HN    ASP-  86 - HN    LEU   80   9.63 +/- 0.37   6.252% *  3.7738% (0.20  1.00   0.02   0.02) =   5.154%  kept
          HN    GLU-  29 - HN    LEU   80  12.40 +/- 0.69   1.372% * 10.2810% (0.54  1.00   0.02   0.02) =   3.081%  kept
          HN    VAL   18 - HN    ALA   34  15.75 +/- 0.99   0.354% * 13.7422% (0.72  1.00   0.02   0.02) =   1.064%  kept
        T HN    ASP-  86 - HN    ALA   34  18.65 +/- 0.57   0.113% * 42.1332% (0.22 10.00   0.02   0.02) =   1.037%  kept
          HN    GLN   30 - HN    LEU   80  12.94 +/- 0.67   1.057% *  2.9685% (0.16  1.00   0.02   0.02) =   0.685%  kept
          HN    VAL   18 - HN    LEU   80  17.63 +/- 0.75   0.162% * 12.3085% (0.65  1.00   0.02   0.02) =   0.435%
    Distance limit 3.68 A violated in 20 structures by 2.30 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.241, support = 0.02, residual support = 0.253:
          HN    GLN   30 - HN    ALA   34   6.24 +/- 0.37  77.860% *  2.6057% (0.11  1.00   0.02   0.47) =  51.919%  kept
          HN    GLU-  29 - HN    ALA   34   8.42 +/- 0.36  12.830% * 10.1298% (0.41  1.00   0.02   0.02) =  33.259%  kept
          HN    ASP-  86 - HN    LEU   80   9.63 +/- 0.37   6.252% *  4.0782% (0.17  1.00   0.02   0.02) =   6.525%  kept
          HN    GLU-  29 - HN    LEU   80  12.40 +/- 0.69   1.372% * 12.2517% (0.50  1.00   0.02   0.02) =   4.301%  kept
          HN    VAL   18 - HN    ALA   34  15.75 +/- 0.99   0.354% * 15.4172% (0.63  1.00   0.02   0.02) =   1.398%  kept
        T HN    ASP-  86 - HN    ALA   34  18.65 +/- 0.57   0.113% * 33.7193% (0.14 10.00   0.02   0.02) =   0.972%  kept
          HN    GLN   30 - HN    LEU   80  12.94 +/- 0.67   1.057% *  3.1515% (0.13  1.00   0.02   0.02) =   0.853%  kept
          HN    VAL   18 - HN    LEU   80  17.63 +/- 0.75   0.162% * 18.6466% (0.76  1.00   0.02   0.02) =   0.773%  kept
    Distance limit 3.66 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   2.68 +/- 0.07  99.991% * 98.3004% (0.54 10.00   4.04  18.75) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  20.30 +/- 0.58   0.001% *  1.1889% (0.65 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  18.25 +/- 2.98   0.002% *  0.1428% (0.78  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.06 +/- 0.60   0.005% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.66 +/- 0.73   0.001% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.14 +/- 1.63   0.000% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.91 +/- 2.10   0.000% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.97 +/- 0.86   0.000% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 5.0, residual support = 31.5:
          HN    LYS+  81 - HN    LEU   80   3.64 +/- 0.35  98.386% * 98.6110% (0.94   5.00  31.45) =  99.999%  kept
          HE3   TRP   27 - HN    LEU   80   9.93 +/- 1.57   0.774% *  0.0614% (0.15   0.02   6.41) =   0.000%
          HE3   TRP   27 - HN    ALA   34   8.81 +/- 1.52   0.762% *  0.0508% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  13.80 +/- 0.96   0.042% *  0.3569% (0.85   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  15.42 +/- 1.25   0.023% *  0.2951% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  20.58 +/- 0.60   0.003% *  0.3261% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.21 +/- 0.83   0.007% *  0.1353% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.39 +/- 0.88   0.002% *  0.1636% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1327 (1.34, 8.16, 121.97 ppm):
    13 chemical-shift based assignments, quality = 0.627, support = 1.47, residual support = 2.16:
          HG2   LYS+ 111 - HN    GLU- 114   4.70 +/- 0.80  67.765% * 60.0117% (0.73   1.20   2.41) =  82.655%  kept
          HB2   LYS+ 112 - HN    GLU- 114   5.53 +/- 0.20  29.520% * 28.8146% (0.15   2.72   0.95) =  17.288%  kept
          HB3   PRO   93 - HN    GLU- 114   9.57 +/- 1.41   2.089% *  1.0487% (0.76   0.02   0.02) =   0.045%
          HB2   LEU   63 - HN    GLU- 114  13.15 +/- 1.09   0.199% *  1.3450% (0.98   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HN    GLU- 114  14.75 +/- 0.83   0.088% *  1.3722% (1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    GLU- 114  15.87 +/- 1.09   0.065% *  1.3243% (0.97   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    GLU- 114  12.60 +/- 0.72   0.209% *  0.3055% (0.22   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    GLU- 114  17.67 +/- 0.97   0.029% *  1.0988% (0.80   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    GLU- 114  18.56 +/- 1.29   0.021% *  1.2306% (0.90   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    GLU- 114  24.29 +/- 1.68   0.004% *  1.2667% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLU- 114  22.07 +/- 0.68   0.007% *  0.6152% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    GLU- 114  26.36 +/- 0.78   0.002% *  1.0988% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLU- 114  29.24 +/- 1.15   0.001% *  0.4681% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1094
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     46
      with multiple assignment possibilities :    917
      with given assignment possibilities    :      0
      with unique volume contribution        :    662
      with multiple volume contributions     :    301
      eliminated by violation filter         :     37
 
    Peaks:
      selected                               :   1094
      without assignment                     :     52
      with assignment                        :   1042
      with unique assignment                 :    761
      with multiple assignment               :    281
      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             :    913
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       2.6
    HN    ASP-  62       2.7
 
    Peak 1 (4.29, 4.29, 56.56 ppm):
    2 diagonal assignments:
    *     HA    MET   11 - HA    MET   11  (1.00)  kept
          HA    GLU-  14 - HA    GLU-  14  (0.16)  kept
 
    Peak 4 (2.08, 4.29, 56.56 ppm):
    16 chemical-shift based assignments, quality = 0.556, support = 3.24, residual support = 46.7:
      O T HB2   GLU-  14 - HA    GLU-  14   2.74 +/- 0.18  87.220% * 27.7351% (0.39  10.0 10.00   2.96  47.73) =  72.991%  kept
    * O T HG2   MET   11 - HA    MET   11   3.88 +/- 0.32  12.636% * 70.8328% (1.00  10.0 10.00   4.00  44.08) =  27.007%  kept
        T HB2   GLU-  14 - HA    MET   11  10.15 +/- 1.44   0.062% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    GLU-  14  11.07 +/- 1.14   0.030% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  11.69 +/- 3.34   0.049% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  17.57 +/- 3.24   0.003% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.48 +/- 0.98   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  26.56 +/- 2.25   0.000% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.49 +/- 2.32   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.68 +/- 3.39   0.000% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.38 +/- 1.65   0.000% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  30.15 +/- 1.50   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  39.10 +/- 2.19   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  34.08 +/- 2.24   0.000% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  29.04 +/- 1.78   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  36.73 +/- 2.37   0.000% *  0.0096% (0.14   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 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.747, support = 3.58, residual support = 45.5:
    * O T HG3   MET   11 - HA    MET   11   3.21 +/- 0.65  35.571% * 72.0852% (1.00  10.0 10.00   4.00  44.08) =  59.822%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.82 +/- 0.22  64.353% * 26.7596% (0.37  10.0 10.00   2.96  47.73) =  40.177%  kept
        T HB3   GLU-  14 - HA    MET   11  10.45 +/- 1.43   0.045% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HA    GLU-  14  11.06 +/- 0.86   0.024% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  15.20 +/- 1.62   0.003% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.13 +/- 1.53   0.002% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.28 +/- 3.15   0.000% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  20.63 +/- 3.09   0.001% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  20.56 +/- 1.10   0.001% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.46 +/- 1.68   0.000% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.63 +/- 2.72   0.000% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  29.62 +/- 2.33   0.000% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.95 +/- 1.47   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  38.37 +/- 2.27   0.000% *  0.0200% (0.28   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 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.565, support = 3.46, residual support = 45.6:
      O T HA    GLU-  14 - HB2   GLU-  14   2.74 +/- 0.18  79.956% * 12.3428% (0.15  10.0 10.00   2.96  47.73) =  50.795%  kept
    * O T HA    MET   11 - HG2   MET   11   3.88 +/- 0.32  11.632% * 80.1727% (1.00  10.0 10.00   4.00  44.08) =  48.001%  kept
          HA    ALA   12 - HG2   MET   11   5.11 +/- 0.93   3.876% *  6.0236% (0.53   1.0  1.00   2.86  12.01) =   1.202%  kept
        T HA    MET   11 - HB2   GLU-  14  10.15 +/- 1.44   0.057% *  0.3002% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   ARG+  54   5.15 +/- 0.86   3.701% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11  11.07 +/- 1.14   0.027% *  0.3296% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   GLU-  14   7.22 +/- 1.19   0.480% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.60 +/- 1.07   0.250% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  14.89 +/- 2.03   0.007% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  14.51 +/- 1.57   0.005% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  20.22 +/- 3.29   0.001% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.60 +/- 1.31   0.004% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  19.49 +/- 1.71   0.001% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  18.91 +/- 2.40   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  24.04 +/- 1.91   0.000% *  0.0277% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.16 +/- 2.17   0.000% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  26.56 +/- 2.25   0.000% *  0.0319% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.32 +/- 1.38   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  24.15 +/- 1.28   0.000% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.39 +/- 2.92   0.000% *  0.0740% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.73 +/- 1.97   0.000% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  21.03 +/- 2.09   0.001% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.68 +/- 3.39   0.000% *  0.0775% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  33.45 +/- 3.00   0.000% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.23 +/- 1.40   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  36.13 +/- 2.23   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  28.82 +/- 1.43   0.000% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.53 +/- 1.36   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  39.39 +/- 2.48   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  29.69 +/- 2.05   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.72 +/- 1.84   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  30.70 +/- 2.69   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  37.40 +/- 2.64   0.000% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  39.54 +/- 3.48   0.000% *  0.0301% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  28.93 +/- 1.68   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.65 +/- 3.19   0.000% *  0.0041% (0.05   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 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.895, support = 3.29, residual support = 44.3:
    * O T QB    MET   11 - HG2   MET   11   2.23 +/- 0.11  58.121% * 66.1248% (1.00  10.0 10.00   3.31  44.08) =  86.632%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.38 +/- 0.13  40.174% * 14.0193% (0.21  10.0 10.00   3.16  47.73) =  12.696%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.25 +/- 0.90   1.658% * 17.9811% (0.27   1.0 10.00   2.32   0.88) =   0.672%  kept
        T QG    GLU-  14 - HG2   MET   11  10.19 +/- 1.47   0.012% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLU-  14   9.70 +/- 1.16   0.012% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.04 +/- 2.00   0.006% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  15.40 +/- 2.85   0.001% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  18.42 +/- 3.99   0.000% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.81 +/- 1.63   0.005% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  10.95 +/- 1.48   0.006% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.03 +/- 1.80   0.000% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.16 +/- 1.71   0.001% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.93 +/- 0.97   0.000% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.42 +/- 1.78   0.000% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  15.18 +/- 2.09   0.001% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.00 +/- 1.60   0.000% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  23.84 +/- 2.52   0.000% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.87 +/- 1.06   0.001% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.91 +/- 2.27   0.000% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.02 +/- 1.77   0.000% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  17.74 +/- 2.47   0.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  32.46 +/- 2.87   0.000% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  21.73 +/- 1.27   0.000% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.57 +/- 1.54   0.000% *  0.0038% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  26.40 +/- 1.85   0.000% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  26.49 +/- 1.74   0.000% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  31.17 +/- 2.95   0.000% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  34.96 +/- 2.60   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  34.58 +/- 2.26   0.000% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  30.23 +/- 2.35   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  34.26 +/- 1.76   0.000% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.13 +/- 2.08   0.000% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  40.07 +/- 2.24   0.000% *  0.0248% (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 = 45.0:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.996% * 72.5786% (1.00  10.0 10.00   4.00  44.08) =  73.842%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.997% * 25.7103% (0.35  10.0 10.00   3.00  47.73) =  26.158%  kept
        T HB3   GLU-  14 - HG2   MET   11  11.42 +/- 1.49   0.001% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  10.96 +/- 1.67   0.001% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  10.26 +/- 1.74   0.002% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  11.70 +/- 1.80   0.001% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  21.49 +/- 1.80   0.000% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  14.04 +/- 1.69   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  17.16 +/- 2.03   0.000% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  30.31 +/- 1.98   0.000% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  26.62 +/- 2.59   0.000% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.08 +/- 2.08   0.000% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  23.56 +/- 3.04   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  22.30 +/- 2.88   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  18.92 +/- 1.40   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  24.38 +/- 2.29   0.000% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  31.10 +/- 2.59   0.000% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  36.51 +/- 3.59   0.000% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  29.83 +/- 1.89   0.000% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  26.29 +/- 1.44   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  39.66 +/- 2.36   0.000% *  0.0202% (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 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.824, support = 3.78, residual support = 44.5:
    * O T HA    MET   11 - HG3   MET   11   3.21 +/- 0.65  34.158% * 80.7629% (1.00  10.0 10.00   4.00  44.08) =  78.880%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.82 +/- 0.22  59.461% * 11.7879% (0.15  10.0 10.00   2.96  47.73) =  20.041%  kept
          HA    ALA   12 - HG3   MET   11   4.75 +/- 0.94   6.119% *  6.1642% (0.53   1.0  1.00   2.90  12.01) =   1.078%  kept
        T HA    MET   11 - HB3   GLU-  14  10.45 +/- 1.43   0.041% *  0.2867% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG3   MET   11  11.06 +/- 0.86   0.022% *  0.3320% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   GLU-  14   7.61 +/- 0.90   0.190% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  14.72 +/- 1.84   0.005% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  20.36 +/- 3.24   0.001% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  19.21 +/- 1.79   0.001% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.79 +/- 1.81   0.000% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  29.08 +/- 1.99   0.000% *  0.0806% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  20.67 +/- 2.44   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  26.16 +/- 1.42   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  24.10 +/- 1.63   0.000% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  31.47 +/- 2.77   0.000% *  0.0746% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  33.04 +/- 2.96   0.000% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  35.87 +/- 2.17   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  30.08 +/- 1.57   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  28.69 +/- 1.54   0.000% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  39.14 +/- 2.49   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  29.45 +/- 2.33   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  30.68 +/- 2.55   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  37.16 +/- 2.72   0.000% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  39.41 +/- 3.42   0.000% *  0.0303% (0.38   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 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.824, support = 3.27, residual support = 44.6:
    * O T QB    MET   11 - HG3   MET   11   2.51 +/- 0.09  41.568% * 67.3911% (1.00  10.0 10.00   3.31  44.08) =  77.865%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.38 +/- 0.14  56.933% * 13.5457% (0.20  10.0 10.00   3.16  47.73) =  21.436%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.15 +/- 0.91   1.447% * 17.3737% (0.26   1.0 10.00   2.18   0.88) =   0.699%  kept
        T QG    GLU-  14 - HG3   MET   11  10.07 +/- 1.31   0.017% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  14  10.01 +/- 1.05   0.014% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  12.12 +/- 1.80   0.006% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  18.25 +/- 4.21   0.001% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  15.46 +/- 2.74   0.001% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  11.49 +/- 1.84   0.011% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  16.74 +/- 1.96   0.001% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  21.42 +/- 1.53   0.000% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  26.81 +/- 2.04   0.000% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  21.65 +/- 1.61   0.000% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  22.15 +/- 1.77   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  26.24 +/- 2.12   0.000% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  26.17 +/- 1.76   0.000% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  30.79 +/- 2.87   0.000% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  34.75 +/- 2.45   0.000% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  29.95 +/- 2.32   0.000% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  34.35 +/- 1.75   0.000% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  31.29 +/- 1.82   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  39.96 +/- 2.20   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 = 45.0:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.998% * 71.8618% (1.00  10.0 10.00   4.00  44.08) =  73.842%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.999% * 25.4564% (0.35  10.0 10.00   3.00  47.73) =  26.158%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.96 +/- 1.67   0.001% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  11.42 +/- 1.49   0.001% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  12.50 +/- 2.94   0.001% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  18.64 +/- 3.25   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  32.36 +/- 1.96   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  22.92 +/- 1.88   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  40.07 +/- 2.44   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  26.62 +/- 2.59   0.000% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  36.51 +/- 3.59   0.000% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  25.28 +/- 1.96   0.000% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  29.98 +/- 2.33   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  35.23 +/- 1.95   0.000% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  28.71 +/- 2.15   0.000% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  38.07 +/- 2.10   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 = 0.893, support = 3.37, residual support = 44.5:
    * O T HA    MET   11 - QB    MET   11   2.32 +/- 0.15  47.182% * 85.1002% (1.00  10.0 10.00   3.37  44.08) =  87.605%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.38 +/- 0.49  50.021% * 11.3536% (0.13  10.0 10.00   3.37  47.73) =  12.391%  kept
          HA    ALA   12 - QB    MET   11   4.11 +/- 0.24   1.916% *  0.0448% (0.53   1.0  1.00   0.02  12.01) =   0.002%
        T HA    GLU-  14 - QG    GLU-  15   5.06 +/- 0.47   0.495% *  0.0843% (0.10   1.0 10.00   0.02   0.88) =   0.001%
        T HA    MET   11 - QG    GLU-  14   9.50 +/- 1.48   0.105% *  0.2762% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - QB    MET   11   9.67 +/- 0.55   0.010% *  0.3499% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   6.72 +/- 0.93   0.195% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.05 +/- 1.80   0.008% *  0.2052% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15   9.38 +/- 1.97   0.032% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  14.89 +/- 1.45   0.001% *  0.2047% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.32 +/- 1.18   0.016% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  17.60 +/- 1.74   0.000% *  0.2756% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36   9.92 +/- 1.29   0.011% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  13.93 +/- 2.05   0.003% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  17.61 +/- 3.09   0.001% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.69 +/- 1.79   0.000% *  0.8491% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  16.78 +/- 4.44   0.001% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.76 +/- 1.86   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  29.59 +/- 2.31   0.000% *  0.4818% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  16.54 +/- 2.89   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  17.34 +/- 3.54   0.001% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.87 +/- 1.98   0.000% *  0.0255% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  18.77 +/- 0.99   0.000% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.64 +/- 2.70   0.000% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.24 +/- 1.48   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.57 +/- 1.63   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  21.61 +/- 1.87   0.000% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  26.70 +/- 0.78   0.000% *  0.0600% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  17.12 +/- 1.39   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.39 +/- 1.18   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  18.64 +/- 2.29   0.000% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  21.69 +/- 0.81   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  25.04 +/- 1.46   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.94 +/- 1.68   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.21 +/- 1.81   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  23.57 +/- 1.72   0.000% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  26.06 +/- 1.83   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  34.80 +/- 2.11   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  27.15 +/- 2.12   0.000% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  26.34 +/- 2.34   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.99 +/- 2.36   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  25.48 +/- 1.27   0.000% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  24.38 +/- 0.88   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  27.94 +/- 0.68   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.45 +/- 0.89   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  35.08 +/- 2.74   0.000% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  28.23 +/- 2.29   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  36.42 +/- 1.38   0.000% *  0.0040% (0.05   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 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 = 0.873, support = 3.28, residual support = 44.5:
    * O T HG2   MET   11 - QB    MET   11   2.23 +/- 0.11  57.977% * 62.8007% (1.00  10.0 10.00   3.31  44.08) =  81.268%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.38 +/- 0.13  40.038% * 20.3350% (0.32  10.0 10.00   3.16  47.73) =  18.173%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.25 +/- 0.90   1.657% * 15.1066% (0.24   1.0 10.00   2.32   0.88) =   0.559%  kept
        T HB2   GLU-  14 - QB    MET   11   9.70 +/- 1.16   0.012% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14  10.19 +/- 1.47   0.012% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15   8.30 +/- 2.33   0.288% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  12.04 +/- 2.00   0.006% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  15.40 +/- 2.85   0.001% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  11.72 +/- 2.64   0.007% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  18.42 +/- 3.99   0.000% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  16.04 +/- 2.90   0.001% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  18.94 +/- 1.15   0.000% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  20.64 +/- 1.37   0.000% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  23.84 +/- 2.52   0.000% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  23.00 +/- 1.60   0.000% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  28.59 +/- 1.72   0.000% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  32.46 +/- 2.87   0.000% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  18.03 +/- 2.91   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  20.45 +/- 1.46   0.000% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  31.17 +/- 1.94   0.000% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  22.89 +/- 1.90   0.000% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  26.89 +/- 2.02   0.000% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  25.46 +/- 1.49   0.000% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  35.26 +/- 1.85   0.000% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  35.62 +/- 1.75   0.000% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  31.15 +/- 1.84   0.000% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  22.81 +/- 1.41   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  26.10 +/- 2.17   0.000% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  34.58 +/- 2.26   0.000% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  33.62 +/- 1.92   0.000% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  29.14 +/- 1.06   0.000% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  28.32 +/- 1.08   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 20 (1.92, 2.29, 36.10 ppm):
    28 chemical-shift based assignments, quality = 0.795, support = 3.27, residual support = 45.2:
    * O T HG3   MET   11 - QB    MET   11   2.51 +/- 0.09  41.558% * 75.1074% (1.00  10.0 10.00   3.31  44.08) =  70.395%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.38 +/- 0.14  56.921% * 23.0568% (0.31  10.0 10.00   3.16  47.73) =  29.599%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.15 +/- 0.91   1.447% *  0.1713% (0.23   1.0 10.00   0.02   0.88) =   0.006%
        T HB3   GLU-  14 - QB    MET   11  10.01 +/- 1.05   0.014% *  0.7105% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  14  10.07 +/- 1.31   0.017% *  0.2437% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.12 +/- 1.80   0.006% *  0.1811% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  15.46 +/- 2.74   0.001% *  0.0885% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  18.25 +/- 4.21   0.001% *  0.0936% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  11.16 +/- 1.75   0.009% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  10.83 +/- 2.04   0.013% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  13.03 +/- 1.97   0.004% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.86 +/- 1.88   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  16.76 +/- 1.89   0.001% *  0.0124% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.72 +/- 0.44   0.004% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.63 +/- 2.82   0.000% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  13.96 +/- 1.08   0.002% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.03 +/- 2.09   0.000% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  19.50 +/- 2.63   0.000% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.56 +/- 1.34   0.000% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  18.97 +/- 1.40   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.56 +/- 1.38   0.000% *  0.0503% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.71 +/- 2.00   0.000% *  0.0678% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.37 +/- 2.36   0.000% *  0.0516% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.87 +/- 1.73   0.000% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.58 +/- 1.00   0.000% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  35.09 +/- 1.78   0.000% *  0.0209% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  30.34 +/- 2.02   0.000% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  32.36 +/- 0.82   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 12.4:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.02  99.998% * 99.1918% (0.82  10.0 10.00   2.00  12.45) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  16.09 +/- 2.75   0.001% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  18.25 +/- 2.47   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  19.96 +/- 2.04   0.000% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  20.17 +/- 1.74   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  21.29 +/- 1.78   0.000% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  22.98 +/- 1.98   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  30.96 +/- 4.09   0.000% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  27.90 +/- 2.26   0.000% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  31.74 +/- 1.91   0.000% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  30.74 +/- 2.44   0.000% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  35.63 +/- 2.62   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  31.49 +/- 1.84   0.000% *  0.0142% (0.12   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 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.02  97.150% * 99.5569% (0.82  10.0 10.00   2.00  12.45) =  99.999%  kept
          HA    MET   11 - QB    ALA   12   3.95 +/- 0.26   2.601% *  0.0286% (0.24   1.0  1.00   0.02  12.01) =   0.001%
          HA    GLU-  14 - QB    ALA   12   5.91 +/- 0.47   0.249% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  25.37 +/- 2.07   0.000% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.12 +/- 1.69   0.000% *  0.0256% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  28.22 +/- 2.30   0.000% *  0.1029% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  27.84 +/- 2.06   0.000% *  0.0286% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  26.65 +/- 1.86   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  29.67 +/- 2.12   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.917, support = 2.04, residual support = 10.5:
    * O T QB    SER   13 - HA    SER   13   2.42 +/- 0.15  71.230% * 64.9056% (1.00  10.0 10.00   1.93   7.24) =  83.235%  kept
      O T HB3   SER   37 - HA    SER   37   2.86 +/- 0.21  28.382% * 32.8086% (0.51  10.0 10.00   2.58  26.90) =  16.765%  kept
          HB    THR   39 - HA    SER   37   6.29 +/- 0.48   0.283% *  0.0346% (0.53   1.0  1.00   0.02   2.67) =   0.000%
        T HB3   SER   37 - HA    SER   13  13.05 +/- 2.62   0.006% *  0.6140% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  13.60 +/- 3.22   0.006% *  0.3468% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.09 +/- 0.91   0.034% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   8.89 +/- 1.01   0.036% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  13.72 +/- 2.27   0.005% *  0.0648% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.89 +/- 0.37   0.009% *  0.0096% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  14.84 +/- 2.57   0.004% *  0.0180% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  13.77 +/- 1.41   0.003% *  0.0238% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.70 +/- 1.21   0.000% *  0.3928% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.83 +/- 0.57   0.001% *  0.0341% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.55 +/- 0.68   0.000% *  0.3716% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.10 +/- 0.56   0.000% *  0.0392% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  19.16 +/- 0.65   0.000% *  0.0109% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  26.85 +/- 1.77   0.000% *  0.0394% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.52 +/- 0.98   0.000% *  0.0301% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.30 +/- 1.12   0.000% *  0.0210% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.39 +/- 2.05   0.000% *  0.0563% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.92 +/- 1.71   0.000% *  0.0614% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.75 +/- 0.41   0.000% *  0.0328% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  33.33 +/- 1.55   0.000% *  0.0221% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  35.46 +/- 0.97   0.000% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.918, support = 2.05, residual support = 10.7:
    * O T HA    SER   13 - QB    SER   13   2.42 +/- 0.15  71.045% * 63.8850% (1.00  10.0 10.00   1.93   7.24) =  82.580%  kept
      O T HA    SER   37 - HB3   SER   37   2.86 +/- 0.21  28.320% * 33.8056% (0.53  10.0 10.00   2.58  26.90) =  17.419%  kept
          HA    GLU-  15 - QB    SER   13   6.75 +/- 0.84   0.247% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   SER   37   6.20 +/- 0.42   0.297% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.05 +/- 2.62   0.006% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.66 +/- 0.52   0.039% *  0.0565% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  13.60 +/- 3.22   0.006% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.56 +/- 1.86   0.010% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.62 +/- 1.05   0.013% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37  10.68 +/- 1.46   0.013% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.68 +/- 2.20   0.001% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.66 +/- 1.69   0.001% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.70 +/- 1.21   0.000% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.55 +/- 0.68   0.000% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.86 +/- 1.35   0.000% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  17.57 +/- 2.81   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  20.70 +/- 3.78   0.001% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  20.29 +/- 2.66   0.000% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.36 +/- 1.17   0.000% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.17 +/- 2.32   0.000% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  24.48 +/- 1.60   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  27.45 +/- 1.78   0.000% *  0.0149% (0.23   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 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 = 0.967, support = 3.01, residual support = 47.5:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.74 +/- 0.18  87.216% * 70.8449% (1.00  10.0 10.00   2.96  47.73) =  94.631%  kept
      O T HG2   MET   11 - HA    MET   11   3.88 +/- 0.32  12.636% * 27.7398% (0.39  10.0 10.00   4.00  44.08) =   5.368%  kept
        T HG2   MET   11 - HA    GLU-  14  11.07 +/- 1.14   0.030% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    MET   11  10.15 +/- 1.44   0.062% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  11.69 +/- 3.34   0.049% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  16.49 +/- 1.65   0.002% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.48 +/- 0.98   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  17.57 +/- 3.24   0.003% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  26.56 +/- 2.25   0.000% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  18.61 +/- 3.39   0.002% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.38 +/- 1.65   0.000% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  30.15 +/- 1.50   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.49 +/- 2.32   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.68 +/- 3.39   0.000% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  39.10 +/- 2.19   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  34.08 +/- 2.24   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.865, support = 3.37, residual support = 46.7:
    * O T QG    GLU-  14 - HA    GLU-  14   2.38 +/- 0.49  50.848% * 45.0668% (1.00  10.0 10.00   3.37  47.73) =  81.857%  kept
      O T QB    MET   11 - HA    MET   11   2.32 +/- 0.15  48.510% * 10.0127% (0.22  10.0 10.00   3.37  44.08) =  17.350%  kept
        T QG    GLU-  15 - HA    GLU-  14   5.06 +/- 0.47   0.510% * 43.4925% (0.97   1.0 10.00   2.72   0.88) =   0.792%  kept
        T QG    GLU-  14 - HA    MET   11   9.50 +/- 1.48   0.108% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    GLU-  14   9.67 +/- 0.55   0.011% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  11.05 +/- 1.80   0.008% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  17.14 +/- 1.36   0.000% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  11.65 +/- 1.13   0.004% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  17.00 +/- 1.72   0.000% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  25.58 +/- 2.12   0.000% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  21.98 +/- 1.04   0.000% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  20.22 +/- 1.52   0.000% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  26.88 +/- 1.88   0.000% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  20.73 +/- 3.44   0.000% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  30.13 +/- 2.33   0.000% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  30.81 +/- 1.77   0.000% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  33.71 +/- 2.25   0.000% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  39.41 +/- 2.35   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 = 0.979, support = 2.97, residual support = 47.5:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.74 +/- 0.18  83.247% * 81.8192% (1.00  10.0 10.00   2.96  47.73) =  97.559%  kept
      O T HA    MET   11 - HG2   MET   11   3.88 +/- 0.32  12.167% * 12.5963% (0.15  10.0 10.00   4.00  44.08) =   2.195%  kept
          HA    ALA   12 - HG2   MET   11   5.11 +/- 0.93   3.991% *  4.2888% (0.37   1.0  1.00   2.86  12.01) =   0.245%
          HA    ALA   12 - HB2   GLU-  14   7.22 +/- 1.19   0.496% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   GLU-  14  10.15 +/- 1.44   0.059% *  0.3364% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG2   MET   11  11.07 +/- 1.14   0.028% *  0.3064% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  19.49 +/- 1.71   0.001% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  14.51 +/- 1.57   0.005% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.60 +/- 1.31   0.004% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  26.56 +/- 2.25   0.000% *  0.1203% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.84 +/- 1.98   0.000% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  28.82 +/- 1.43   0.000% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  24.04 +/- 1.91   0.000% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.32 +/- 1.38   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.72 +/- 1.84   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.73 +/- 1.97   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.23 +/- 1.40   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.68 +/- 3.39   0.000% *  0.0495% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.46 +/- 1.25   0.000% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  28.10 +/- 1.48   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  32.90 +/- 2.93   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.16 +/- 2.17   0.000% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  22.32 +/- 1.67   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  37.40 +/- 2.64   0.000% *  0.0304% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.65 +/- 3.19   0.000% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.53 +/- 1.36   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.39 +/- 2.92   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  36.13 +/- 2.23   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  39.39 +/- 2.48   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  36.91 +/- 2.38   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.819, support = 3.17, residual support = 45.5:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.38 +/- 0.13  40.174% * 45.4322% (1.00  10.0 10.00   3.16  47.73) =  74.264%  kept
      O T QB    MET   11 - HG2   MET   11   2.23 +/- 0.11  58.122% *  9.6322% (0.21  10.0 10.00   3.31  44.08) =  22.779%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.25 +/- 0.90   1.658% * 43.8452% (0.97   1.0 10.00   2.32   0.88) =   2.957%  kept
        T QB    MET   11 - HB2   GLU-  14   9.70 +/- 1.16   0.012% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11  10.19 +/- 1.47   0.012% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.04 +/- 2.00   0.006% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.81 +/- 1.63   0.005% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.93 +/- 0.97   0.000% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.03 +/- 1.80   0.000% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  11.15 +/- 1.85   0.007% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.16 +/- 1.71   0.001% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  15.44 +/- 1.52   0.001% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  15.18 +/- 2.09   0.001% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.00 +/- 1.60   0.000% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  23.84 +/- 2.52   0.000% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.57 +/- 1.54   0.000% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.02 +/- 1.77   0.000% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.42 +/- 1.78   0.000% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  26.40 +/- 1.85   0.000% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  22.42 +/- 3.24   0.000% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.91 +/- 2.27   0.000% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  32.46 +/- 2.87   0.000% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.13 +/- 2.08   0.000% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  30.77 +/- 2.24   0.000% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  34.96 +/- 2.60   0.000% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  28.03 +/- 2.59   0.000% *  0.0021% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  40.66 +/- 2.20   0.000% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.903, support = 3.37, residual support = 47.3:
    * O T HA    GLU-  14 - QG    GLU-  14   2.38 +/- 0.49  50.037% * 85.4905% (1.00  10.0 10.00   3.37  47.73) =  88.810%  kept
      O T HA    MET   11 - QB    MET   11   2.32 +/- 0.15  47.213% * 11.4057% (0.13  10.0 10.00   3.37  44.08) =  11.180%  kept
        T HA    GLU-  14 - QG    GLU-  15   5.06 +/- 0.47   0.496% *  0.7522% (0.88   1.0 10.00   0.02   0.88) =   0.008%
          HA    ALA   12 - QB    MET   11   4.11 +/- 0.24   1.918% *  0.0272% (0.32   1.0  1.00   0.02  12.01) =   0.001%
        T HA    MET   11 - QG    GLU-  14   9.50 +/- 1.48   0.105% *  0.3515% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  14   6.72 +/- 0.93   0.195% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.67 +/- 0.55   0.010% *  0.2774% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.05 +/- 1.80   0.008% *  0.3092% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.32 +/- 1.18   0.016% *  0.0737% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  14.89 +/- 1.45   0.001% *  0.2823% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  17.60 +/- 1.74   0.000% *  0.3209% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  19.06 +/- 2.10   0.000% *  0.0602% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.76 +/- 1.86   0.000% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  23.57 +/- 1.72   0.000% *  0.0746% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  23.47 +/- 1.81   0.000% *  0.0685% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.69 +/- 1.79   0.000% *  0.1041% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  26.06 +/- 1.83   0.000% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.24 +/- 1.48   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.87 +/- 1.98   0.000% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.57 +/- 1.63   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  25.04 +/- 1.46   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  22.47 +/- 1.69   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.21 +/- 1.81   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  25.40 +/- 1.69   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  29.00 +/- 2.75   0.000% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.99 +/- 2.36   0.000% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.64 +/- 2.70   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.94 +/- 1.68   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  34.80 +/- 2.11   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  32.56 +/- 2.14   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.873, support = 3.19, residual support = 47.1:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.38 +/- 0.14  56.935% * 74.4402% (1.00  10.0 10.00   3.16  47.73) =  81.675%  kept
      O T HG3   MET   11 - QB    MET   11   2.51 +/- 0.09  41.569% * 22.8520% (0.31  10.0 10.00   3.31  44.08) =  18.306%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.15 +/- 0.91   1.447% *  0.6550% (0.88   1.0 10.00   0.02   0.88) =   0.018%
        T HG3   MET   11 - QG    GLU-  14  10.07 +/- 1.31   0.017% *  0.7042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.12 +/- 1.80   0.006% *  0.6196% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - QB    MET   11  10.01 +/- 1.05   0.014% *  0.2416% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  11.16 +/- 1.75   0.009% *  0.0319% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.86 +/- 1.88   0.001% *  0.0362% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  16.76 +/- 1.89   0.001% *  0.0568% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.03 +/- 2.09   0.000% *  0.0646% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.56 +/- 1.34   0.000% *  0.0182% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  18.97 +/- 1.40   0.000% *  0.0207% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.56 +/- 1.38   0.000% *  0.1011% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.71 +/- 2.00   0.000% *  0.1149% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.63 +/- 2.82   0.000% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.37 +/- 2.36   0.000% *  0.0210% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.87 +/- 1.73   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  35.09 +/- 1.78   0.000% *  0.0037% (0.05   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 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 = 0.999, support = 2.09, residual support = 10.7:
    * O T QG    GLU-  15 - HA    GLU-  15   2.40 +/- 0.52  95.962% * 49.8424% (1.00  10.0 10.00   2.07  11.03) =  96.376%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.92 +/- 0.60   3.739% * 48.1014% (0.97   1.0 10.00   2.70   0.88) =   3.624%  kept
          HB3   PHE   72 - HA    GLU-  15   7.93 +/- 1.17   0.205% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  11.42 +/- 1.87   0.015% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  15  12.32 +/- 1.20   0.011% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  15.96 +/- 1.94   0.003% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    LEU   40  11.20 +/- 0.45   0.019% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  13.32 +/- 2.29   0.007% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  13.59 +/- 0.94   0.006% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.38 +/- 0.47   0.006% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  17.05 +/- 2.33   0.002% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  20.80 +/- 2.79   0.000% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  14.73 +/- 1.73   0.005% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  20.17 +/- 3.30   0.001% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  15.09 +/- 1.49   0.003% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  18.39 +/- 0.84   0.001% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.49 +/- 0.56   0.003% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  16.11 +/- 0.54   0.002% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  21.00 +/- 0.85   0.000% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.83 +/- 0.34   0.008% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  24.01 +/- 1.24   0.000% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.27 +/- 0.50   0.001% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  21.91 +/- 1.70   0.000% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  23.58 +/- 1.02   0.000% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  24.80 +/- 1.37   0.000% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  27.48 +/- 1.66   0.000% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  29.80 +/- 1.40   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   2.44 +/- 0.13  96.295% * 95.2027% (1.00  10.0 10.00   3.00  11.03) =  99.993%  kept
        T HB2   GLN   17 - HA    GLU-  15   6.12 +/- 0.32   0.429% *  0.9520% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   PRO   68 - HA    GLU-  15   9.67 +/- 2.77   0.184% *  0.7623% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HA    GLU-  15   6.86 +/- 1.12   0.305% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  11.79 +/- 1.52   0.011% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   5.28 +/- 1.14   2.194% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   6.57 +/- 0.93   0.430% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  13.36 +/- 0.78   0.004% *  0.6165% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  11.10 +/- 1.90   0.026% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  16.58 +/- 0.94   0.001% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15  10.82 +/- 1.28   0.017% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.14 +/- 0.93   0.022% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  12.56 +/- 1.86   0.008% *  0.0375% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.16 +/- 1.48   0.017% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  12.14 +/- 1.08   0.008% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  13.11 +/- 1.12   0.005% *  0.0436% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  13.97 +/- 1.96   0.004% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.58 +/- 0.71   0.010% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.17 +/- 0.60   0.020% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.34 +/- 1.41   0.000% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  17.56 +/- 0.86   0.001% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  15.83 +/- 1.90   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.01 +/- 0.74   0.000% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  15.60 +/- 1.09   0.002% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  22.61 +/- 1.59   0.000% *  0.0763% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  18.99 +/- 1.90   0.001% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  17.84 +/- 0.77   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  23.31 +/- 1.23   0.000% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  19.08 +/- 1.12   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  18.55 +/- 1.02   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  18.16 +/- 1.73   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  20.51 +/- 1.23   0.000% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  27.68 +/- 1.27   0.000% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  23.40 +/- 0.99   0.000% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.10 +/- 1.51   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  23.18 +/- 1.84   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 1.0, support = 2.06, residual support = 11.0:
    * O T HA    GLU-  15 - QG    GLU-  15   2.40 +/- 0.52  90.526% * 95.6439% (1.00  10.0 10.00   2.07  11.03) =  99.963%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.92 +/- 0.60   3.199% *  0.8415% (0.88   1.0 10.00   0.02   0.88) =   0.031%
          HA    SER   13 - QG    GLU-  15   6.28 +/- 1.27   2.824% *  0.0956% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - QG    GLU-  14   4.84 +/- 0.69   2.638% *  0.0842% (0.88   1.0  1.00   0.02   6.66) =   0.003%
          HA    GLN   17 - QG    GLU-  15   6.94 +/- 0.57   0.241% *  0.0541% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  15  11.42 +/- 1.87   0.013% *  0.9048% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QB    MET   11   6.67 +/- 0.50   0.393% *  0.0231% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  14   8.50 +/- 0.97   0.084% *  0.0476% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  12.32 +/- 1.20   0.009% *  0.2306% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  15.96 +/- 1.94   0.002% *  0.7960% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15  10.68 +/- 2.39   0.034% *  0.0541% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  13.32 +/- 2.29   0.006% *  0.2129% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  14.11 +/- 2.54   0.007% *  0.0476% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  17.05 +/- 2.33   0.002% *  0.1874% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  16.06 +/- 1.11   0.002% *  0.0954% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  16.37 +/- 2.79   0.004% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  20.80 +/- 2.79   0.000% *  0.2181% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  17.53 +/- 1.52   0.001% *  0.0840% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  15.53 +/- 3.67   0.004% *  0.0131% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  13.97 +/- 1.95   0.004% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  18.82 +/- 1.15   0.001% *  0.0619% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  20.39 +/- 1.80   0.001% *  0.0544% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  20.17 +/- 3.30   0.001% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  16.52 +/- 1.12   0.002% *  0.0131% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  20.20 +/- 1.83   0.001% *  0.0287% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  18.44 +/- 1.75   0.001% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  20.11 +/- 1.33   0.000% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  21.97 +/- 2.16   0.000% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  25.61 +/- 1.69   0.000% *  0.0230% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  25.37 +/- 3.30   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  29.06 +/- 1.74   0.000% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.14 +/- 2.58   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  30.23 +/- 2.22   0.000% *  0.0057% (0.06   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 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HB2   GLN   17 - HA    GLN   17   2.57 +/- 0.10  99.126% * 97.7872% (1.00  10.0 10.00   4.00  84.37) =  99.994%  kept
        T QB    GLU-  15 - HA    GLN   17   6.58 +/- 0.27   0.385% *  0.9779% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   PRO   68 - HA    GLN   17   8.88 +/- 2.90   0.241% *  0.7830% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HA    GLN   17   7.53 +/- 0.58   0.180% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17  10.15 +/- 2.05   0.052% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  13.41 +/- 1.02   0.006% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  13.26 +/- 1.18   0.006% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  14.82 +/- 0.84   0.003% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  19.78 +/- 0.95   0.001% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  21.31 +/- 0.63   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  23.26 +/- 1.24   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  20.99 +/- 1.90   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.4:
    * O T QG    GLN   17 - HA    GLN   17   2.53 +/- 0.48  99.744% * 98.5118% (0.76  10.0 10.00   4.31  84.37) =  99.997%  kept
        T HB    VAL   70 - HA    GLN   17   9.48 +/- 1.67   0.249% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.003%
          HB2   MET   96 - HA    GLN   17  16.38 +/- 0.86   0.003% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  19.78 +/- 2.01   0.002% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  17.58 +/- 0.97   0.001% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  20.69 +/- 0.69   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  18.93 +/- 1.16   0.001% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.201, support = 3.54, residual support = 50.5:
    * O T HA    GLN   17 - HB2   GLN   17   2.57 +/- 0.10  42.103% * 57.9333% (0.24  10.0 10.00   4.00  84.37) =  53.814%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.44 +/- 0.13  56.852% * 36.8149% (0.15  10.0 10.00   3.00  11.03) =  46.177%  kept
        T HA    GLN   17 - HB3   PRO   68   8.88 +/- 2.90   0.110% *  1.4535% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLN   17 - QB    GLU-  15   6.58 +/- 0.27   0.157% *  0.6503% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   GLN   17   6.12 +/- 0.32   0.247% *  0.3280% (0.14   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB3   PRO   68   9.67 +/- 2.77   0.095% *  0.8229% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    GLU-  15   5.87 +/- 0.57   0.377% *  0.0368% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  11.79 +/- 1.52   0.006% *  0.2441% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  13.36 +/- 0.78   0.002% *  0.5455% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  13.12 +/- 2.64   0.013% *  0.0823% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  11.15 +/- 2.31   0.014% *  0.0650% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  11.49 +/- 0.97   0.006% *  0.0305% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  11.62 +/- 0.65   0.005% *  0.0328% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  12.48 +/- 1.06   0.004% *  0.0394% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  16.58 +/- 0.94   0.001% *  0.2174% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  16.04 +/- 1.64   0.001% *  0.1454% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  14.26 +/- 0.61   0.002% *  0.0882% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  15.47 +/- 1.35   0.001% *  0.0765% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  13.97 +/- 0.61   0.002% *  0.0351% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  16.07 +/- 1.26   0.001% *  0.0574% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  15.79 +/- 0.96   0.001% *  0.0342% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  18.97 +/- 1.72   0.000% *  0.0579% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  19.15 +/- 0.94   0.000% *  0.0645% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  22.20 +/- 1.45   0.000% *  0.1441% (0.60   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 64 (2.01, 2.01, 31.84 ppm):
    3 diagonal assignments:
          HB3   PRO   68 - HB3   PRO   68  (0.49)  kept
          QB    GLU-  15 - QB    GLU-  15  (0.27)  kept
    *     HB2   GLN   17 - HB2   GLN   17  (0.24)  kept
 
    Peak 65 (2.21, 2.01, 31.84 ppm):
    21 chemical-shift based assignments, quality = 0.185, support = 4.31, residual support = 84.4:
    * O T QG    GLN   17 - HB2   GLN   17   2.42 +/- 0.10  98.693% * 84.9728% (0.18  10.0 10.00   4.31  84.37) =  99.980%  kept
        T QG    GLN   17 - QB    GLU-  15   5.56 +/- 0.49   0.824% *  0.9538% (0.21   1.0 10.00   0.02   0.02) =   0.009%
        T QG    GLN   17 - HB3   PRO   68   8.79 +/- 2.76   0.196% *  2.1320% (0.46   1.0 10.00   0.02   0.02) =   0.005%
        T HB    VAL   70 - HB3   PRO   68   7.57 +/- 0.79   0.129% *  2.3301% (0.51   1.0 10.00   0.02   0.02) =   0.004%
        T HB    VAL   70 - QB    GLU-  15   8.35 +/- 1.63   0.136% *  1.0424% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB2   GLN   17  11.64 +/- 1.51   0.011% *  0.9287% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  14.80 +/- 1.85   0.003% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  17.41 +/- 1.17   0.001% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  17.79 +/- 1.38   0.001% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  19.77 +/- 0.61   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  21.30 +/- 1.72   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  16.30 +/- 0.94   0.001% *  0.1237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  18.84 +/- 0.75   0.000% *  0.2765% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  26.24 +/- 1.87   0.000% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  17.43 +/- 0.79   0.001% *  0.1102% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  18.02 +/- 1.84   0.001% *  0.0952% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  16.61 +/- 1.10   0.001% *  0.0629% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.28 +/- 0.96   0.000% *  0.0707% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  19.11 +/- 1.54   0.000% *  0.0426% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  25.05 +/- 1.45   0.000% *  0.1579% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  20.83 +/- 1.06   0.000% *  0.0379% (0.08   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 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.4:
    * O T HA    GLN   17 - QG    GLN   17   2.53 +/- 0.48  85.883% * 99.2429% (0.76  10.0 10.00   4.31  84.37) =  99.991%  kept
          HA    GLU-  15 - QG    GLN   17   4.76 +/- 0.97  13.117% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.009%
        T HA    GLN   17 - HB    VAL   70   9.48 +/- 1.67   0.120% *  0.2033% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   6.72 +/- 0.87   0.594% *  0.0076% (0.06   1.0  1.00   0.02  35.94) =   0.000%
          HA    SER   13 - QG    GLN   17   9.24 +/- 1.06   0.061% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    VAL   70   7.60 +/- 0.63   0.144% *  0.0123% (0.09   1.0  1.00   0.02   1.34) =   0.000%
          HA    PRO   58 - QG    GLN   17  10.85 +/- 1.29   0.016% *  0.0522% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  13.19 +/- 0.89   0.007% *  0.0602% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70   9.98 +/- 1.50   0.036% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  16.63 +/- 2.07   0.002% *  0.0992% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  15.74 +/- 1.15   0.002% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  12.67 +/- 1.14   0.009% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  14.95 +/- 1.20   0.003% *  0.0372% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  15.01 +/- 1.96   0.003% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  15.20 +/- 1.18   0.003% *  0.0107% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  18.34 +/- 0.92   0.001% *  0.0201% (0.16   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 = 84.4:
    * O T HB2   GLN   17 - QG    GLN   17   2.42 +/- 0.10  97.603% * 95.9708% (0.76  10.0 10.00   4.31  84.37) =  99.989%  kept
        T QB    GLU-  15 - QG    GLN   17   5.56 +/- 0.49   0.811% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   PRO   68 - QG    GLN   17   8.79 +/- 2.76   0.194% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   19 - QG    GLN   17   7.31 +/- 1.60   0.586% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB    VAL   70   8.35 +/- 1.63   0.135% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB    VAL   70   7.57 +/- 0.79   0.128% *  0.1574% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   6.99 +/- 1.50   0.430% *  0.0096% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  11.64 +/- 1.51   0.011% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLN   17  10.21 +/- 2.00   0.036% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  19.36 +/- 1.55   0.000% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  12.84 +/- 1.45   0.008% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17  12.52 +/- 1.57   0.007% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.94 +/- 0.95   0.013% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  12.74 +/- 1.77   0.007% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  20.15 +/- 1.91   0.000% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  13.24 +/- 1.21   0.005% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  12.05 +/- 1.96   0.011% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  22.09 +/- 1.03   0.000% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  11.80 +/- 1.03   0.009% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  15.23 +/- 0.90   0.002% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.52 +/- 0.95   0.000% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  22.72 +/- 1.17   0.000% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  16.66 +/- 1.39   0.001% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  21.11 +/- 1.94   0.000% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.01 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 = 77.1:
    * O T HB    VAL   18 - HA    VAL   18   2.72 +/- 0.30  99.783% * 99.6862% (1.00  10.0 10.00   3.44  77.12) = 100.000%  kept
          HB2   LEU   67 - HA    VAL   18   8.31 +/- 0.89   0.198% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    VAL   18  13.03 +/- 0.69   0.009% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  14.55 +/- 0.87   0.005% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  17.70 +/- 2.09   0.003% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  16.99 +/- 1.15   0.002% *  0.0524% (0.53   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 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.1:
    * O T QG1   VAL   18 - HA    VAL   18   2.66 +/- 0.22  97.672% * 98.7319% (1.00  10.0 10.00   4.00  77.12) =  99.995%  kept
        T QG1   VAL   70 - HA    VAL   18   8.02 +/- 1.50   0.276% *  0.9678% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HA    VAL   18   6.47 +/- 1.58   1.930% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    VAL   18   9.30 +/- 1.17   0.104% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  13.17 +/- 1.98   0.014% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  17.81 +/- 1.07   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  17.37 +/- 0.87   0.001% *  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 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 76.8:
    * O T QG2   VAL   18 - HA    VAL   18   2.49 +/- 0.53  96.433% * 85.6014% (1.00  10.0 10.00   4.00  77.12) =  99.466%  kept
          QD1   ILE   19 - HA    VAL   18   5.44 +/- 0.94   3.390% * 13.0778% (0.73   1.0  1.00   4.21  21.17) =   0.534%  kept
        T QG1   VAL   41 - HA    VAL   18  11.27 +/- 0.91   0.027% *  0.6542% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    VAL   18   9.26 +/- 0.59   0.084% *  0.0790% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   18   9.31 +/- 0.88   0.054% *  0.0839% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  15.71 +/- 1.14   0.004% *  0.4846% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  13.46 +/- 0.81   0.008% *  0.0191% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.07 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.1:
    * O T HA    VAL   18 - HB    VAL   18   2.72 +/- 0.30  99.968% * 99.3791% (1.00  10.0 10.00   3.44  77.12) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  11.50 +/- 1.41   0.019% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  15.57 +/- 1.15   0.004% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  15.52 +/- 1.29   0.003% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  17.87 +/- 1.14   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  18.09 +/- 0.87   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  17.35 +/- 0.80   0.002% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  21.50 +/- 0.65   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  19.48 +/- 1.14   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  22.34 +/- 1.06   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 77.1:
    * O T QG1   VAL   18 - HB    VAL   18   2.13 +/- 0.01  99.857% * 99.5994% (1.00  10.0 10.00   3.44  77.12) = 100.000%  kept
          QD1   LEU   71 - HB    VAL   18   8.51 +/- 1.68   0.070% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB    VAL   18   9.23 +/- 1.84   0.041% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL   18   9.20 +/- 1.61   0.029% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  13.13 +/- 1.87   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  18.87 +/- 1.93   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  17.13 +/- 1.07   0.000% *  0.0197% (0.20   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 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 77.1:
    * O T QG2   VAL   18 - HB    VAL   18   2.11 +/- 0.01  99.822% * 98.4101% (1.00  10.0 10.00   3.25  77.12) = 100.000%  kept
          QD1   ILE   19 - HB    VAL   18   6.97 +/- 0.78   0.132% *  0.0715% (0.73   1.0  1.00   0.02  21.17) =   0.000%
          QG2   THR   46 - HB    VAL   18   8.40 +/- 0.91   0.033% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  12.93 +/- 1.28   0.002% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    VAL   18  10.38 +/- 1.09   0.009% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  16.81 +/- 1.78   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  15.38 +/- 1.17   0.001% *  0.0219% (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 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.1:
    * O T HA    VAL   18 - QG1   VAL   18   2.66 +/- 0.22  99.920% * 97.2871% (1.00  10.0 10.00   4.00  77.12) = 100.000%  kept
        T HA    VAL   70 - QG1   VAL   18  10.21 +/- 1.12   0.034% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  11.62 +/- 0.80   0.018% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  16.17 +/- 0.63   0.002% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.96 +/- 0.69   0.005% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  13.58 +/- 1.12   0.007% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  14.44 +/- 0.75   0.004% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  13.59 +/- 0.76   0.007% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  15.49 +/- 0.80   0.003% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  17.26 +/- 0.93   0.001% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.1:
    * O T HB    VAL   18 - QG1   VAL   18   2.13 +/- 0.01  99.962% * 99.6862% (1.00  10.0 10.00   3.44  77.12) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   8.92 +/- 0.90   0.022% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  12.69 +/- 1.91   0.005% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  10.99 +/- 1.04   0.006% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  13.53 +/- 0.98   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  12.71 +/- 1.02   0.003% *  0.0340% (0.34   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 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.1:
    * O T QG2   VAL   18 - QG1   VAL   18   2.05 +/- 0.05  99.152% * 98.4101% (1.00  10.0 10.00   4.00  77.12) =  99.999%  kept
          QD1   ILE   19 - QG1   VAL   18   5.16 +/- 0.46   0.538% *  0.0715% (0.73   1.0  1.00   0.02  21.17) =   0.000%
          QG2   THR   46 - QG1   VAL   18   5.90 +/- 0.74   0.258% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG1   VAL   18  10.47 +/- 1.03   0.007% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QG1   VAL   18   7.88 +/- 0.90   0.040% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  14.05 +/- 1.30   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  11.77 +/- 0.95   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.1:
    * O T HA    VAL   18 - QG2   VAL   18   2.49 +/- 0.53  98.534% * 97.9277% (1.00  10.0 10.00   4.00  77.12) =  99.999%  kept
          HA    VAL   70 - QG1   VAL   41   6.80 +/- 0.39   0.427% *  0.0514% (0.52   1.0  1.00   0.02   2.75) =   0.000%
        T HA    VAL   18 - QG1   VAL   41  11.27 +/- 0.91   0.027% *  0.7484% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   41   6.55 +/- 0.46   0.533% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   41   7.57 +/- 0.50   0.225% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   9.07 +/- 0.60   0.076% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   9.43 +/- 0.55   0.053% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  12.14 +/- 0.97   0.013% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  12.63 +/- 0.81   0.011% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  15.71 +/- 1.14   0.004% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104  10.15 +/- 1.12   0.050% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  15.07 +/- 0.77   0.003% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  15.22 +/- 0.68   0.003% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  16.00 +/- 0.69   0.002% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  13.87 +/- 0.75   0.006% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  17.77 +/- 1.11   0.001% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  16.39 +/- 1.23   0.002% *  0.0514% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  16.01 +/- 0.66   0.003% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  16.28 +/- 0.73   0.002% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.04 +/- 1.04   0.006% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.61 +/- 0.63   0.004% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  18.14 +/- 1.26   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.41 +/- 0.77   0.007% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  20.32 +/- 0.61   0.001% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  16.44 +/- 0.82   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  17.13 +/- 1.11   0.002% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  21.39 +/- 0.71   0.000% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  20.48 +/- 1.14   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  23.42 +/- 1.06   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  22.55 +/- 0.87   0.000% *  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 = 3.25, residual support = 77.1:
    * O T HB    VAL   18 - QG2   VAL   18   2.11 +/- 0.01  99.275% * 98.5012% (1.00  10.0 10.00   3.25  77.12) = 100.000%  kept
          HB2   LEU   40 - QG1   VAL   41   5.21 +/- 0.26   0.462% *  0.0257% (0.26   1.0  1.00   0.02  19.83) =   0.000%
          HB2   LEU   67 - QG2   VAL   18   7.36 +/- 0.79   0.072% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  12.93 +/- 1.28   0.002% *  0.7528% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   6.67 +/- 0.97   0.154% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18   9.83 +/- 0.70   0.011% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41  10.49 +/- 0.93   0.008% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  12.57 +/- 1.57   0.004% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  12.57 +/- 0.99   0.003% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  12.08 +/- 0.73   0.003% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  16.81 +/- 1.78   0.001% *  0.1514% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  12.10 +/- 2.26   0.005% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  16.87 +/- 1.01   0.000% *  0.0396% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  14.94 +/- 0.76   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  22.12 +/- 1.75   0.000% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  20.11 +/- 0.93   0.000% *  0.0366% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  20.50 +/- 0.94   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  23.24 +/- 1.36   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 = 0.98, support = 4.03, residual support = 80.2:
    * O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.05  73.951% * 90.9635% (1.00  10.0 10.00   4.00  77.12) =  97.785%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.60 +/- 0.34  22.358% *  6.8036% (0.07  10.0 10.00   5.36 217.53) =   2.211%  kept
          QD1   LEU   71 - QG1   VAL   41   5.51 +/- 1.36   3.297% *  0.0581% (0.64   1.0  1.00   0.02   4.34) =   0.003%
        T HB3   LEU  104 - QG1   VAL   41   8.43 +/- 0.97   0.019% *  0.3384% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.00 +/- 0.91   0.100% *  0.0625% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.47 +/- 1.24   0.069% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.14 +/- 1.21   0.073% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.83 +/- 0.74   0.072% *  0.0681% (0.75   1.0  1.00   0.02   2.75) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41  10.47 +/- 1.03   0.005% *  0.6952% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  10.43 +/- 1.64   0.007% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   8.34 +/- 0.98   0.023% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.20 +/- 0.96   0.000% *  0.4428% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.59 +/- 1.85   0.003% *  0.0581% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.83 +/- 1.10   0.003% *  0.0478% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  14.05 +/- 1.30   0.001% *  0.1398% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.39 +/- 1.39   0.007% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  10.57 +/- 1.43   0.006% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  12.10 +/- 1.32   0.002% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  13.70 +/- 0.98   0.001% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.34 +/- 0.74   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.00 +/- 0.41   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 = 123.9:
    * O T HB    ILE   19 - HA    ILE   19   2.88 +/- 0.19  97.808% * 98.7896% (1.00  10.0 10.00   4.75 123.86) =  99.999%  kept
          HB2   GLN   17 - HA    ILE   19   5.59 +/- 0.24   1.969% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ILE   19   8.42 +/- 0.66   0.199% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  15.07 +/- 0.59   0.005% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  15.51 +/- 1.18   0.005% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  14.44 +/- 2.24   0.010% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  17.41 +/- 1.22   0.002% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  21.52 +/- 0.93   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  20.54 +/- 1.08   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  25.12 +/- 1.16   0.000% *  0.0481% (0.49   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 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 123.9:
    * O T HG12  ILE   19 - HA    ILE   19   3.23 +/- 0.56  95.359% * 98.1529% (1.00  10.0 10.00   5.31 123.86) =  99.994%  kept
        T HG    LEU   73 - HA    ILE   19   7.39 +/- 0.45   0.984% *  0.3348% (0.34   1.0 10.00   0.02   4.10) =   0.004%
          HB3   LYS+  74 - HA    ILE   19   6.19 +/- 0.48   3.125% *  0.0556% (0.57   1.0  1.00   0.02   8.41) =   0.002%
          QB    ALA   61 - HA    ILE   19   8.69 +/- 0.63   0.413% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HA    ILE   19  13.54 +/- 0.98   0.025% *  0.9621% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  12.66 +/- 1.33   0.042% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  14.32 +/- 0.69   0.017% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  14.55 +/- 0.67   0.016% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  19.05 +/- 1.83   0.004% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  15.37 +/- 0.84   0.012% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  22.34 +/- 1.72   0.001% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  23.80 +/- 2.02   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.08 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 123.9:
    * O T HG13  ILE   19 - HA    ILE   19   2.59 +/- 0.61  99.651% * 98.2804% (1.00  10.0 10.00   4.75 123.86) =  99.999%  kept
        T HG    LEU   71 - HA    ILE   19   9.23 +/- 1.31   0.096% *  0.8814% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   19   8.29 +/- 0.67   0.164% *  0.0907% (0.92   1.0  1.00   0.02   8.41) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  14.51 +/- 2.07   0.013% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   19  10.74 +/- 0.70   0.039% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19  11.39 +/- 0.82   0.032% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  20.29 +/- 1.26   0.001% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  19.09 +/- 0.56   0.001% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  20.55 +/- 1.12   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  18.83 +/- 0.70   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.82 +/- 1.24   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.51, residual support = 123.3:
    *   T QD1   ILE   19 - HA    ILE   19   2.75 +/- 0.40  96.619% * 85.4491% (1.00 10.00   4.51 123.86) =  99.440%  kept
          QG2   VAL   18 - HA    ILE   19   5.08 +/- 0.42   3.248% * 14.3122% (0.73  1.00   4.61  21.17) =   0.560%  kept
          QG2   THR   46 - HA    ILE   19   9.95 +/- 0.64   0.060% *  0.0714% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ILE   19  10.54 +/- 0.77   0.045% *  0.0416% (0.49  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19  12.53 +/- 1.35   0.021% *  0.0264% (0.31  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  18.12 +/- 1.10   0.002% *  0.0825% (0.97  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.92 +/- 1.15   0.006% *  0.0169% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.08 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 123.9:
    * O T HA    ILE   19 - HB    ILE   19   2.88 +/- 0.19  99.917% * 98.6066% (1.00  10.0 10.00   4.75 123.86) = 100.000%  kept
        T HA    GLU-  25 - HB    ILE   19  13.89 +/- 0.68   0.009% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB    ILE   19   9.97 +/- 0.64   0.071% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  20.09 +/- 1.06   0.001% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  18.19 +/- 0.79   0.002% *  0.0884% (0.90   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 91 (2.00, 2.00, 37.78 ppm):
    1 diagonal assignment:
    *     HB    ILE   19 - HB    ILE   19  (1.00)  kept
 
    Peak 92 (1.42, 2.00, 37.78 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 4.29, residual support = 123.4:
    * O T HG12  ILE   19 - HB    ILE   19   2.43 +/- 0.25  97.518% * 84.0138% (1.00  10.0 10.00   4.31 123.86) =  99.630%  kept
        T HG    LEU   73 - HB    ILE   19   4.99 +/- 0.67   2.151% * 14.1426% (0.34   1.0 10.00   0.99   4.10) =   0.370%
          HB3   LYS+  74 - HB    ILE   19   6.82 +/- 0.79   0.267% *  0.0476% (0.57   1.0  1.00   0.02   8.41) =   0.000%
        T HB3   LEU   67 - HB    ILE   19  11.49 +/- 1.29   0.012% *  0.6101% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HB    ILE   19  12.81 +/- 1.18   0.006% *  0.8235% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    ILE   19   9.54 +/- 0.56   0.033% *  0.0729% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  13.66 +/- 1.02   0.004% *  0.0642% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  13.14 +/- 1.23   0.005% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  14.32 +/- 0.67   0.003% *  0.0442% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  18.82 +/- 1.76   0.001% *  0.0833% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  20.79 +/- 1.87   0.000% *  0.0510% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  21.33 +/- 2.10   0.000% *  0.0209% (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 = 123.8:
    * O T HG13  ILE   19 - HB    ILE   19   2.66 +/- 0.26  98.750% * 97.6364% (1.00  10.0 10.00   4.00 123.86) =  99.990%  kept
        T HG    LEU   71 - HB    ILE   19   6.74 +/- 1.40   0.937% *  0.8756% (0.90   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  74 - HB    ILE   19   8.63 +/- 1.00   0.134% *  0.9013% (0.92   1.0 10.00   0.02   8.41) =   0.001%
          QG2   THR   39 - HB    ILE   19   8.91 +/- 0.74   0.088% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   19   9.17 +/- 0.96   0.079% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  14.63 +/- 2.00   0.007% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  17.84 +/- 1.44   0.001% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  18.80 +/- 0.83   0.001% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  18.07 +/- 1.19   0.001% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  17.70 +/- 1.22   0.001% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  25.27 +/- 1.38   0.000% *  0.1932% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 123.9:
    * O T QD1   ILE   19 - HB    ILE   19   2.91 +/- 0.32  96.983% * 99.6493% (1.00  10.0 10.00   3.76 123.86) =  99.998%  kept
          QG2   VAL   18 - HB    ILE   19   5.56 +/- 0.36   2.536% *  0.0724% (0.73   1.0  1.00   0.02  21.17) =   0.002%
          QG1   VAL   43 - HB    ILE   19   8.71 +/- 1.27   0.242% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    ILE   19  10.38 +/- 0.79   0.061% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    ILE   19  10.35 +/- 1.54   0.154% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  16.19 +/- 1.28   0.004% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  12.98 +/- 1.55   0.020% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.27 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 123.9:
    * O T HA    ILE   19 - HG12  ILE   19   3.23 +/- 0.56  96.591% * 98.8520% (1.00  10.0 10.00   5.31 123.86) =  99.996%  kept
        T HA    ILE   19 - HG    LEU   73   7.39 +/- 0.45   0.997% *  0.3228% (0.33   1.0 10.00   0.02   4.10) =   0.003%
          HA    GLU-  25 - HG    LEU   80   8.22 +/- 1.12   0.758% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   80   7.86 +/- 0.85   0.835% *  0.0152% (0.15   1.0  1.00   0.02   0.15) =   0.000%
        T HA    ILE   19 - HG    LEU   80  13.54 +/- 0.98   0.025% *  0.4055% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19  10.39 +/- 1.13   0.182% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80   9.47 +/- 0.74   0.236% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   73   9.34 +/- 0.82   0.281% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  14.65 +/- 1.05   0.019% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  12.10 +/- 0.70   0.053% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  19.84 +/- 0.90   0.003% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  16.99 +/- 1.10   0.006% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  17.26 +/- 0.85   0.006% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  17.22 +/- 0.83   0.006% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  21.63 +/- 0.91   0.002% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 123.8:
    * O T HB    ILE   19 - HG12  ILE   19   2.43 +/- 0.25  96.974% * 98.3572% (1.00  10.0 10.00   4.31 123.86) =  99.992%  kept
        T HB    ILE   19 - HG    LEU   73   4.99 +/- 0.67   2.133% *  0.3212% (0.33   1.0 10.00   0.02   4.10) =   0.007%
          HB2   GLN   17 - HG12  ILE   19   6.78 +/- 0.88   0.457% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE   19   6.78 +/- 0.89   0.273% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80   8.68 +/- 1.42   0.083% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  12.81 +/- 1.18   0.006% *  0.4034% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  10.00 +/- 1.17   0.027% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  14.43 +/- 1.50   0.003% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  10.78 +/- 0.87   0.017% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  13.40 +/- 2.07   0.009% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  14.66 +/- 1.14   0.003% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  13.15 +/- 0.81   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.03 +/- 0.92   0.002% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  18.11 +/- 1.19   0.001% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  19.37 +/- 1.34   0.001% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  22.11 +/- 1.40   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  14.75 +/- 1.26   0.003% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  18.30 +/- 1.14   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  20.87 +/- 1.45   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  18.61 +/- 1.08   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  21.59 +/- 1.56   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  18.10 +/- 1.00   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  18.90 +/- 1.03   0.001% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  21.56 +/- 1.29   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  22.67 +/- 1.63   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  25.36 +/- 1.32   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  26.15 +/- 1.51   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  22.03 +/- 1.26   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  24.12 +/- 1.11   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  25.04 +/- 1.46   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.31, residual support = 123.9:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  99.558% * 96.9096% (1.00  10.0 10.00   4.31 123.86) =  99.999%  kept
        T HG    LEU   71 - HG    LEU   73   5.51 +/- 1.43   0.251% *  0.2838% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   71 - HG12  ILE   19   7.01 +/- 1.48   0.058% *  0.8691% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG13  ILE   19 - HG    LEU   73   7.00 +/- 0.81   0.034% *  0.3165% (0.33   1.0 10.00   0.02   4.10) =   0.000%
          QG2   THR   39 - HG12  ILE   19   8.85 +/- 1.12   0.008% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   7.84 +/- 0.79   0.016% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   6.48 +/- 0.58   0.046% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19  10.36 +/- 0.85   0.003% *  0.0895% (0.92   1.0  1.00   0.02   8.41) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.56 +/- 0.52   0.008% *  0.0292% (0.30   1.0  1.00   0.02  40.49) =   0.000%
          HG2   LYS+  74 - HG    LEU   80   9.86 +/- 1.21   0.004% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  14.31 +/- 1.13   0.000% *  0.3975% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19   9.59 +/- 1.23   0.006% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  15.59 +/- 1.18   0.000% *  0.3565% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  13.00 +/- 0.77   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  10.88 +/- 0.98   0.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  14.24 +/- 1.13   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  15.89 +/- 2.02   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  18.50 +/- 1.92   0.000% *  0.0917% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  13.77 +/- 2.06   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  18.13 +/- 1.46   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  16.46 +/- 0.70   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  13.30 +/- 0.61   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  15.54 +/- 2.31   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  15.44 +/- 0.83   0.000% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  16.69 +/- 0.68   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  20.36 +/- 0.59   0.000% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  14.04 +/- 0.75   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  19.56 +/- 1.00   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  22.37 +/- 1.32   0.000% *  0.0376% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  23.69 +/- 0.91   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  26.96 +/- 1.59   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  22.71 +/- 1.18   0.000% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  23.84 +/- 1.34   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 = 3.84, residual support = 123.9:
    * O T QD1   ILE   19 - HG12  ILE   19   2.15 +/- 0.02  95.847% * 98.4260% (1.00  10.0 10.00   3.84 123.86) =  99.998%  kept
        T QD1   ILE   19 - HG    LEU   73   6.32 +/- 0.71   0.224% *  0.3214% (0.33   1.0 10.00   0.02   4.10) =   0.001%
          QG1   VAL   43 - HG    LEU   73   4.62 +/- 1.06   3.278% *  0.0156% (0.16   1.0  1.00   0.02   7.87) =   0.001%
          QG2   VAL   18 - HG12  ILE   19   6.46 +/- 0.71   0.184% *  0.0715% (0.73   1.0  1.00   0.02  21.17) =   0.000%
          QG2   VAL   18 - HG    LEU   73   7.05 +/- 0.97   0.120% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  11.70 +/- 1.11   0.005% *  0.4037% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   73   6.98 +/- 1.06   0.181% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19  11.05 +/- 1.85   0.031% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80   9.02 +/- 1.15   0.025% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80   8.70 +/- 1.23   0.042% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19  10.12 +/- 1.13   0.012% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  11.80 +/- 0.64   0.004% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  14.16 +/- 1.47   0.002% *  0.1948% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  12.47 +/- 1.70   0.003% *  0.0799% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  10.09 +/- 0.49   0.010% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   9.08 +/- 1.32   0.025% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.75 +/- 1.24   0.003% *  0.0310% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  12.65 +/- 1.35   0.003% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  17.06 +/- 1.48   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  13.13 +/- 0.94   0.002% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  18.30 +/- 1.13   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 123.9:
    * O T HA    ILE   19 - HG13  ILE   19   2.59 +/- 0.61  99.806% * 98.6722% (1.00  10.0 10.00   4.75 123.86) = 100.000%  kept
        T HA    ILE   19 - HG    LEU   71   9.23 +/- 1.31   0.096% *  0.1414% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19  10.82 +/- 0.87   0.047% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  19.46 +/- 1.00   0.001% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  15.03 +/- 0.90   0.006% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  11.17 +/- 1.91   0.035% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  14.64 +/- 1.73   0.006% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  21.50 +/- 1.13   0.001% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  21.72 +/- 1.01   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  21.68 +/- 1.10   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 123.9:
    * O T HB    ILE   19 - HG13  ILE   19   2.66 +/- 0.26  96.556% * 98.7569% (1.00  10.0 10.00   4.00 123.86) =  99.998%  kept
        T HB    ILE   19 - HG    LEU   71   6.74 +/- 1.40   0.912% *  0.1416% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG13  ILE   19   6.27 +/- 1.03   1.064% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   7.09 +/- 1.00   0.384% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   71   7.34 +/- 1.71   0.810% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  12.41 +/- 1.94   0.174% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  14.62 +/- 1.76   0.004% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  14.97 +/- 0.95   0.004% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  11.24 +/- 1.48   0.035% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  13.55 +/- 2.35   0.009% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  12.14 +/- 1.70   0.039% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  25.99 +/- 1.37   0.000% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  18.90 +/- 1.17   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  15.68 +/- 1.80   0.004% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  22.05 +/- 1.18   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.40 +/- 1.32   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.94 +/- 2.21   0.000% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  20.32 +/- 1.73   0.001% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  20.84 +/- 2.23   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  21.54 +/- 1.70   0.001% *  0.0058% (0.06   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 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 123.9:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  99.622% * 97.7565% (1.00  10.0 10.00   4.31 123.86) = 100.000%  kept
        T HG    LEU   73 - HG    LEU   71   5.51 +/- 1.43   0.251% *  0.0478% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG13  ILE   19   7.00 +/- 0.81   0.034% *  0.3335% (0.34   1.0 10.00   0.02   4.10) =   0.000%
        T HG12  ILE   19 - HG    LEU   71   7.01 +/- 1.48   0.058% *  0.1401% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   8.03 +/- 0.77   0.013% *  0.0553% (0.57   1.0  1.00   0.02   8.41) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  14.31 +/- 1.13   0.000% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG13  ILE   19   9.85 +/- 0.65   0.003% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  11.92 +/- 2.10   0.002% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.61 +/- 0.88   0.004% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  15.59 +/- 1.18   0.000% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71   9.62 +/- 1.38   0.006% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  15.19 +/- 0.84   0.000% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  14.57 +/- 1.30   0.000% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  14.66 +/- 1.41   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  12.64 +/- 1.15   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  12.18 +/- 1.02   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  14.10 +/- 1.44   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  20.02 +/- 1.78   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  18.16 +/- 3.04   0.001% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  22.17 +/- 2.25   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  16.38 +/- 1.04   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  16.61 +/- 2.54   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  20.21 +/- 1.93   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  22.89 +/- 2.31   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 = 3.76, residual support = 123.9:
    * O T QD1   ILE   19 - HG13  ILE   19   2.15 +/- 0.02  98.891% * 99.4572% (1.00  10.0 10.00   3.76 123.86) =  99.999%  kept
        T QD1   ILE   19 - HG    LEU   71   6.73 +/- 1.40   0.244% *  0.1426% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG13  ILE   19   6.10 +/- 0.60   0.240% *  0.0722% (0.73   1.0  1.00   0.02  21.17) =   0.000%
          QG1   VAL   41 - HG    LEU   71   6.42 +/- 1.45   0.492% *  0.0044% (0.04   1.0  1.00   0.02   4.34) =   0.000%
          QG1   VAL   43 - HG13  ILE   19  10.41 +/- 1.19   0.011% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   7.82 +/- 0.93   0.059% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  11.43 +/- 0.64   0.005% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG13  ILE   19  11.56 +/- 1.82   0.011% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   9.02 +/- 1.09   0.028% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  12.45 +/- 1.54   0.004% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  17.43 +/- 1.66   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  10.46 +/- 1.45   0.012% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  14.51 +/- 1.52   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.04 +/- 0.81   0.001% *  0.0119% (0.12   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 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.51, residual support = 123.9:
    *   T HA    ILE   19 - QD1   ILE   19   2.75 +/- 0.40  99.622% * 99.7561% (1.00 10.00   4.51 123.86) = 100.000%  kept
          HA    THR   26 - QD1   ILE   19   8.12 +/- 1.15   0.346% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QD1   ILE   19  11.78 +/- 1.09   0.028% *  0.0921% (0.92  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  17.08 +/- 1.18   0.002% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  17.93 +/- 0.98   0.002% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 123.9:
    * O T HB    ILE   19 - QD1   ILE   19   2.91 +/- 0.32  95.941% * 99.4654% (1.00  10.0 10.00   3.76 123.86) =  99.998%  kept
          QB    GLU-  15 - QD1   ILE   19   6.29 +/- 1.07   2.019% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   ILE   19   6.26 +/- 0.94   1.952% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD1   ILE   19  11.59 +/- 1.12   0.036% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   ILE   19  13.19 +/- 1.56   0.016% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  12.30 +/- 2.12   0.030% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  16.87 +/- 1.49   0.003% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  19.31 +/- 1.24   0.001% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  18.97 +/- 1.40   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  22.72 +/- 1.22   0.001% *  0.0484% (0.49   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 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.84, residual support = 123.9:
    * O T HG12  ILE   19 - QD1   ILE   19   2.15 +/- 0.02  99.632% * 97.8860% (1.00  10.0 10.00   3.84 123.86) =  99.999%  kept
        T HG    LEU   73 - QD1   ILE   19   6.32 +/- 0.71   0.231% *  0.3339% (0.34   1.0 10.00   0.02   4.10) =   0.001%
          HB3   LYS+  74 - QD1   ILE   19   7.17 +/- 0.63   0.087% *  0.0554% (0.57   1.0  1.00   0.02   8.41) =   0.000%
        T HG    LEU   80 - QD1   ILE   19  11.70 +/- 1.11   0.005% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   ILE   19   9.17 +/- 0.98   0.023% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  12.64 +/- 1.22   0.003% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19  11.07 +/- 1.82   0.012% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  12.48 +/- 0.97   0.003% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  13.28 +/- 1.30   0.002% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  17.43 +/- 1.54   0.000% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  19.54 +/- 2.04   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  19.54 +/- 1.93   0.000% *  0.0244% (0.25   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 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 123.9:
    * O T HG13  ILE   19 - QD1   ILE   19   2.15 +/- 0.02  99.635% * 98.6077% (1.00  10.0 10.00   3.76 123.86) =  99.998%  kept
        T HG    LEU   71 - QD1   ILE   19   6.73 +/- 1.40   0.245% *  0.8843% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - QD1   ILE   19   8.12 +/- 1.17   0.055% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   8.98 +/- 0.63   0.021% *  0.0910% (0.92   1.0  1.00   0.02   8.41) =   0.000%
          QB    ALA   34 - QD1   ILE   19   8.55 +/- 1.25   0.040% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  13.88 +/- 1.95   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  16.44 +/- 1.92   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  15.85 +/- 1.37   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  17.29 +/- 0.78   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  16.79 +/- 0.95   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  23.30 +/- 1.18   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 14.9:
    * O T QB    ALA   20 - HA    ALA   20   2.13 +/- 0.01  99.998% * 99.6998% (1.00  10.0 10.00   2.31  14.87) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  15.32 +/- 0.56   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.27 +/- 0.60   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  17.32 +/- 1.26   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  23.71 +/- 1.10   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.95 +/- 1.11   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  22.80 +/- 2.12   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 = 14.9:
    * O T HA    ALA   20 - QB    ALA   20   2.13 +/- 0.01  99.993% * 99.9427% (1.00  10.0 10.00   2.31  14.87) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20  10.55 +/- 0.48   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  20.42 +/- 0.85   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 = 2.75, residual support = 28.9:
    * O T HB2   CYS   21 - HA    CYS   21   2.81 +/- 0.31  99.989% * 99.9059% (1.00  10.0 10.00   2.75  28.93) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  13.14 +/- 0.50   0.011% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  25.28 +/- 0.93   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 = 2.52, residual support = 28.9:
    * O T HB3   CYS   21 - HA    CYS   21   2.55 +/- 0.14  99.998% * 99.9348% (0.69  10.0 10.00   2.52  28.93) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  15.89 +/- 0.72   0.002% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.45, residual support = 28.9:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.999% * 99.9348% (0.69  10.0 10.00   2.45  28.93) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  13.45 +/- 1.01   0.001% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.45, residual support = 28.9:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.999% * 99.9059% (0.69  10.0 10.00   2.45  28.93) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  12.12 +/- 0.85   0.001% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  24.44 +/- 1.02   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 = 2.32, residual support = 34.6:
    * O T HB2   HIS   22 - HA    HIS   22   2.41 +/- 0.06  99.999% * 99.8331% (0.76  10.0 10.00   2.32  34.64) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  19.76 +/- 0.98   0.000% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  22.83 +/- 2.58   0.000% *  0.0425% (0.32   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 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.6:
    * O T HB3   HIS   22 - HA    HIS   22   3.02 +/- 0.02  99.993% * 99.9165% (0.95  10.0 10.00   3.46  34.64) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  19.07 +/- 3.27   0.007% *  0.0835% (0.79   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 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 34.6:
    * O T HA    HIS   22 - HB2   HIS   22   2.41 +/- 0.06  99.993% * 99.7956% (0.76  10.0 10.00   2.32  34.64) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  12.25 +/- 1.01   0.006% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  23.13 +/- 0.97   0.000% *  0.1046% (0.79   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 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 = 34.6:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00  99.999% * 99.9165% (0.80  10.0 10.00   4.26  34.64) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  18.88 +/- 3.59   0.001% *  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 = 34.6:
    * O T HA    HIS   22 - HB3   HIS   22   3.02 +/- 0.02  99.981% * 99.7956% (0.95  10.0 10.00   3.46  34.64) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  12.70 +/- 0.65   0.019% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  22.69 +/- 0.79   0.001% *  0.1046% (0.99   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 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.6:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.8331% (0.80  10.0 10.00   4.26  34.64) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  21.62 +/- 0.83   0.000% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  25.27 +/- 2.44   0.000% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 18.7:
    * O T QG2   THR   23 - HA    THR   23   2.48 +/- 0.40  99.941% * 99.3383% (0.80  10.0 10.00   3.25  18.71) = 100.000%  kept
          QG2   THR   77 - HA    THR   23   9.95 +/- 0.69   0.048% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  16.06 +/- 0.56   0.002% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  13.81 +/- 0.33   0.005% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  16.77 +/- 0.51   0.002% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  17.85 +/- 2.47   0.002% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  24.28 +/- 0.61   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 0.02 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.598, support = 2.95, residual support = 18.7:
    * O T HA    THR   23 - QG2   THR   23   2.48 +/- 0.40  35.323% * 73.9129% (0.80  10.0 10.00   3.25  18.71) =  61.176%  kept
      O   HB    THR   23 - QG2   THR   23   2.17 +/- 0.01  64.559% * 25.6645% (0.28  10.0  1.00   2.49  18.71) =  38.824%  kept
          HA    LEU   80 - QG2   THR   23   6.47 +/- 0.56   0.097% *  0.0379% (0.41   1.0  1.00   0.02   7.56) =   0.000%
          HA    ASP-  78 - QG2   THR   23  10.40 +/- 0.73   0.006% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91   9.75 +/- 1.27   0.012% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  16.77 +/- 0.51   0.000% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  16.06 +/- 0.56   0.000% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.86 +/- 0.67   0.002% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  16.40 +/- 0.72   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  18.89 +/- 0.79   0.000% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.31 +/- 0.68   0.000% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  18.05 +/- 0.56   0.000% *  0.0027% (0.03   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 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 = 63.0:
    * O T QG1   VAL   24 - HA    VAL   24   2.80 +/- 0.49  99.942% * 99.7332% (1.00  10.0 10.00   3.42  63.02) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24  10.39 +/- 0.32   0.054% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  17.46 +/- 0.78   0.003% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  22.03 +/- 1.55   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  27.24 +/- 1.90   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.18 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 63.0:
    * O T HA    VAL   24 - QG1   VAL   24   2.80 +/- 0.49  99.995% * 99.8757% (1.00  10.0 10.00   3.42  63.02) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  17.72 +/- 0.41   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  17.81 +/- 0.84   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  21.90 +/- 1.16   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 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 = 125.9:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.96 +/- 0.05  99.968% * 99.2829% (1.00  10.0 10.00   5.14 125.88) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  13.43 +/- 0.96   0.013% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  15.11 +/- 0.81   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  19.42 +/- 1.52   0.002% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  14.76 +/- 0.82   0.007% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  20.87 +/- 0.76   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.60 +/- 0.35   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  19.45 +/- 1.12   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  24.27 +/- 0.79   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  25.50 +/- 0.52   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  28.25 +/- 0.67   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  25.36 +/- 0.87   0.000% *  0.0056% (0.06   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 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 125.9:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.75 +/- 0.10  99.871% * 98.0202% (1.00  10.0 10.00   4.97 125.88) = 100.000%  kept
        T HB    ILE   19 - HA    GLU-  25  13.89 +/- 0.68   0.006% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  12.97 +/- 1.31   0.012% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  25   8.85 +/- 0.70   0.105% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  20.09 +/- 1.06   0.001% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  18.12 +/- 1.39   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  20.51 +/- 0.56   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.70 +/- 1.35   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  17.76 +/- 0.88   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  22.03 +/- 1.35   0.000% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  26.42 +/- 0.90   0.000% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  26.06 +/- 1.58   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  24.90 +/- 1.00   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  30.23 +/- 1.26   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  25.22 +/- 1.43   0.000% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  25.57 +/- 0.67   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  31.35 +/- 1.32   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  31.34 +/- 0.86   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 = 4.0, residual support = 125.9:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.24 +/- 0.33  99.971% * 99.4877% (1.00  10.0 10.00   4.00 125.88) = 100.000%  kept
        T HG2   GLU-  25 - HA    SER   82  12.70 +/- 1.13   0.004% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    SER   82   9.74 +/- 0.17   0.022% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  15.46 +/- 0.89   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  19.96 +/- 0.73   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  18.68 +/- 0.58   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  31.45 +/- 1.34   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  30.14 +/- 1.33   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  29.51 +/- 1.24   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  28.57 +/- 1.12   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 125.9:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.41 +/- 0.08  99.712% * 99.2510% (1.00  10.0 10.00   3.43 125.88) = 100.000%  kept
        T HG3   GLU-  25 - HA    SER   82  13.52 +/- 1.01   0.029% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  25  11.73 +/- 0.98   0.070% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82  10.04 +/- 0.50   0.164% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  16.11 +/- 1.00   0.010% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.17 +/- 1.56   0.004% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  17.62 +/- 1.34   0.006% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  25.66 +/- 1.23   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  25.11 +/- 1.02   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  24.79 +/- 1.62   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  21.40 +/- 1.08   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  28.12 +/- 1.07   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  26.16 +/- 1.11   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  27.60 +/- 1.33   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.27 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 125.9:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.96 +/- 0.05  99.979% * 99.2383% (1.00  10.0 10.00   5.14 125.88) = 100.000%  kept
        T HA    SER   82 - HB2   GLU-  25  13.43 +/- 0.96   0.013% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   GLU-  25  14.42 +/- 0.55   0.008% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  24.69 +/- 0.74   0.000% *  0.0682% (0.69   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 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 = 5.18, residual support = 125.9:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.992% * 97.2368% (1.00  10.0 10.00   5.18 125.88) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   8.98 +/- 0.95   0.007% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  17.79 +/- 1.38   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  19.77 +/- 0.61   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  13.44 +/- 0.71   0.001% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  26.24 +/- 1.87   0.000% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.99 +/- 1.27   0.000% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  26.78 +/- 0.99   0.000% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  31.49 +/- 1.20   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 = 4.49, residual support = 125.9:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.82 +/- 0.24  99.997% * 99.8559% (1.00  10.0 10.00   4.49 125.88) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  17.37 +/- 0.79   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  21.21 +/- 0.79   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  32.23 +/- 1.46   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  30.93 +/- 1.47   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 = 3.91, residual support = 125.9:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.65 +/- 0.15  99.975% * 99.6757% (1.00  10.0 10.00   3.91 125.88) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25  11.21 +/- 1.06   0.023% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  16.85 +/- 1.02   0.002% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  26.06 +/- 0.94   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  25.64 +/- 1.73   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  26.36 +/- 1.03   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  28.13 +/- 1.19   0.000% *  0.0277% (0.28   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 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 125.9:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.75 +/- 0.10  99.984% * 98.4268% (1.00  10.0 10.00   4.97 125.88) = 100.000%  kept
        T HA    SER   82 - HB3   GLU-  25  12.97 +/- 1.31   0.012% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HB3   GLU-  25  15.07 +/- 0.59   0.004% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  24.88 +/- 1.08   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.18, residual support = 125.9:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.0062% (1.00  10.0 10.00   5.18 125.88) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  19.36 +/- 1.55   0.000% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  22.09 +/- 1.03   0.000% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  17.00 +/- 0.80   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.23 +/- 0.81   0.000% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  21.45 +/- 1.19   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 = 125.9:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.85 +/- 0.13  99.997% * 99.8559% (1.00  10.0 10.00   4.44 125.88) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  17.22 +/- 0.95   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  21.42 +/- 0.72   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  32.57 +/- 1.37   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  31.28 +/- 1.38   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 = 125.9:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.36 +/- 0.13  99.986% * 99.2075% (1.00  10.0 10.00   3.87 125.88) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25  11.26 +/- 1.30   0.013% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  17.22 +/- 1.39   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  26.48 +/- 1.09   0.000% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  26.12 +/- 1.41   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  25.67 +/- 1.90   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  28.56 +/- 1.21   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 125.9:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.24 +/- 0.33  99.994% * 99.2383% (1.00  10.0 10.00   4.00 125.88) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  12.70 +/- 1.13   0.004% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  16.72 +/- 0.66   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  25.98 +/- 0.75   0.000% *  0.0682% (0.69   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 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 125.9:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.82 +/- 0.24  99.995% * 99.7000% (1.00  10.0 10.00   4.49 125.88) = 100.000%  kept
          HB2   MET   96 - HG2   GLU-  25  17.10 +/- 0.86   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   GLU-  25  20.76 +/- 1.60   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  22.75 +/- 0.76   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.00 +/- 0.76   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  21.01 +/- 1.31   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 125.9:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.85 +/- 0.13  99.946% * 99.4104% (1.00  10.0 10.00   4.44 125.88) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  10.43 +/- 0.81   0.048% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  15.48 +/- 0.76   0.004% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  19.39 +/- 1.44   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  22.01 +/- 0.68   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  27.42 +/- 1.44   0.000% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  28.19 +/- 0.92   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  27.79 +/- 1.62   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  32.10 +/- 1.36   0.000% *  0.0892% (0.90   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 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 = 125.9:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.999% * 99.6757% (1.00  10.0 10.00   3.31 125.88) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  12.64 +/- 1.23   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  16.98 +/- 1.39   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  27.14 +/- 1.23   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  26.35 +/- 1.73   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  26.83 +/- 1.09   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  29.89 +/- 1.14   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 = 3.43, residual support = 125.9:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.41 +/- 0.08  99.964% * 98.4268% (1.00  10.0 10.00   3.43 125.88) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  13.52 +/- 1.01   0.029% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.97 +/- 0.59   0.007% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  26.71 +/- 0.73   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.19 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.91, residual support = 125.9:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.65 +/- 0.15  99.998% * 99.7000% (1.00  10.0 10.00   3.91 125.88) = 100.000%  kept
          HB2   MET   96 - HG3   GLU-  25  18.43 +/- 0.80   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   GLU-  25  21.02 +/- 1.61   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  23.71 +/- 0.84   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.01 +/- 0.49   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  22.25 +/- 1.24   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 0.15 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 125.9:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.36 +/- 0.13  99.987% * 98.6730% (1.00  10.0 10.00   3.87 125.88) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  11.05 +/- 0.88   0.012% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  15.93 +/- 0.68   0.001% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  19.75 +/- 1.48   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  28.51 +/- 1.35   0.000% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  22.31 +/- 0.62   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  28.50 +/- 1.75   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  28.99 +/- 0.97   0.000% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  33.23 +/- 1.28   0.000% *  0.0885% (0.90   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 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 125.9:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.8559% (1.00  10.0 10.00   3.31 125.88) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  18.41 +/- 0.97   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  23.11 +/- 0.76   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  34.38 +/- 1.40   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  33.08 +/- 1.41   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 = 3.15, residual support = 35.0:
    * O T HB    THR   26 - HA    THR   26   2.93 +/- 0.07  99.999% * 99.8279% (1.00  10.0 10.00   3.15  35.04) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  23.22 +/- 0.61   0.000% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  29.28 +/- 0.80   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 0.53 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.15, residual support = 35.0:
    * O T QG2   THR   26 - HA    THR   26   2.84 +/- 0.16  99.981% * 99.3101% (1.00  10.0 10.00   3.15  35.04) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  12.72 +/- 0.66   0.014% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  16.92 +/- 0.58   0.002% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  21.07 +/- 1.53   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  23.08 +/- 0.74   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  25.71 +/- 1.52   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  20.63 +/- 0.91   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  25.35 +/- 1.49   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  24.49 +/- 1.09   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  25.93 +/- 1.61   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 = 3.15, residual support = 35.0:
    * O T HA    THR   26 - HB    THR   26   2.93 +/- 0.07  99.674% * 99.6617% (1.00  10.0 10.00   3.15  35.04) = 100.000%  kept
          HA    ASN   28 - HB    THR   26   7.93 +/- 0.15   0.260% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB    THR   26  10.33 +/- 0.50   0.055% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB    THR   26  14.33 +/- 0.44   0.008% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB    THR   26  20.03 +/- 2.99   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  21.76 +/- 0.92   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  24.44 +/- 0.89   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  28.65 +/- 1.00   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 0.49 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 = 35.0:
    * O T QG2   THR   26 - HB    THR   26   2.17 +/- 0.01  99.992% * 99.4369% (1.00  10.0 10.00   3.00  35.04) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26  11.06 +/- 0.88   0.007% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  20.40 +/- 1.74   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  18.01 +/- 0.65   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  24.44 +/- 1.14   0.000% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  22.96 +/- 0.96   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  25.94 +/- 1.53   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  21.74 +/- 1.00   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  25.70 +/- 1.59   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  25.01 +/- 1.76   0.000% *  0.0135% (0.14   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 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.15, residual support = 35.0:
    * O T HA    THR   26 - QG2   THR   26   2.84 +/- 0.16  98.489% * 98.6211% (1.00  10.0 10.00   3.15  35.04) = 100.000%  kept
          HA    ASN   28 - QG2   THR   26   6.30 +/- 0.13   0.894% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - QG2   THR   26   6.90 +/- 0.45   0.564% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   THR   26  10.41 +/- 0.42   0.043% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  15.70 +/- 2.50   0.007% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  19.01 +/- 0.56   0.001% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  22.54 +/- 0.71   0.000% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  17.23 +/- 0.72   0.002% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.09 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.0:
    * O T HB    THR   26 - QG2   THR   26   2.17 +/- 0.01  99.999% * 99.1149% (1.00  10.0 10.00   3.00  35.04) = 100.000%  kept
        T HA    SER  117 - QG2   THR   26  22.67 +/- 0.61   0.000% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QG2   THR   26  16.93 +/- 0.53   0.000% *  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 = 4.44, residual support = 98.0:
    * O T HB2   TRP   27 - HA    TRP   27   2.93 +/- 0.04  99.978% * 99.8554% (1.00  10.0 10.00   4.44  97.98) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  12.12 +/- 0.60   0.021% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  20.04 +/- 0.64   0.001% *  0.0999% (1.00   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 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 98.0:
    * O T HB3   TRP   27 - HA    TRP   27   2.24 +/- 0.03  99.995% * 99.7166% (1.00  10.0 10.00   4.44  97.98) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  15.16 +/- 0.85   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  14.63 +/- 1.00   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  14.99 +/- 0.61   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  16.98 +/- 0.74   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  17.31 +/- 0.34   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 98.0:
    * O T HA    TRP   27 - HB2   TRP   27   2.93 +/- 0.04  99.996% * 99.7755% (1.00  10.0 10.00   4.44  97.98) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  17.75 +/- 0.80   0.002% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  19.57 +/- 0.71   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  23.03 +/- 0.99   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 98.0:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 99.7166% (1.00  10.0 10.00   4.97  97.98) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  16.21 +/- 0.80   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  15.73 +/- 0.92   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  17.12 +/- 0.92   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  16.80 +/- 0.52   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  19.14 +/- 0.44   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 = 4.44, residual support = 98.0:
    * O T HA    TRP   27 - HB3   TRP   27   2.24 +/- 0.03  99.999% * 99.7755% (1.00  10.0 10.00   4.44  97.98) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  17.08 +/- 0.78   0.001% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  18.37 +/- 0.62   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  21.84 +/- 0.98   0.000% *  0.0525% (0.53   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 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 98.0:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.997% * 99.8554% (1.00  10.0 10.00   4.97  97.98) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27   9.94 +/- 0.60   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  18.41 +/- 0.76   0.000% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.46, residual support = 93.2:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.01  99.580% * 99.2152% (1.00  10.0 10.00   4.46  93.25) =  99.999%  kept
        T HB2   ASN   35 - HA    ASN   28   9.40 +/- 0.91   0.137% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   28   9.32 +/- 1.28   0.182% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   28   9.94 +/- 0.57   0.089% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  14.42 +/- 0.62   0.009% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  17.90 +/- 0.53   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  20.86 +/- 1.59   0.001% *  0.0957% (0.97   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 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 93.2:
    * O T HB3   ASN   28 - HA    ASN   28   2.43 +/- 0.04  99.487% * 99.8456% (1.00  10.0 10.00   4.20  93.25) = 100.000%  kept
          HG2   GLN   30 - HA    ASN   28   6.12 +/- 0.62   0.512% *  0.0922% (0.92   1.0  1.00   0.02   8.29) =   0.000%
          QE    LYS+ 121 - HA    ASN   28  20.26 +/- 1.99   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  21.28 +/- 2.59   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 = 4.46, residual support = 93.2:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.01  93.260% * 99.0365% (1.00  10.0 10.00   4.46  93.25) =  99.997%  kept
          HA    THR   26 - HB2   ASN   28   5.19 +/- 0.20   3.981% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HB2   ASN   35   5.81 +/- 0.41   2.118% *  0.0291% (0.29   1.0  1.00   0.02  18.75) =   0.001%
        T HA    ASN   28 - HB2   ASN   35   9.40 +/- 0.91   0.128% *  0.3081% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   35   8.65 +/- 2.13   0.449% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  12.10 +/- 0.32   0.024% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  15.11 +/- 2.99   0.012% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  12.94 +/- 0.76   0.017% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  14.77 +/- 0.49   0.007% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  24.88 +/- 0.73   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  26.25 +/- 2.12   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  24.80 +/- 1.00   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  28.44 +/- 1.02   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  25.19 +/- 3.48   0.000% *  0.0162% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  30.86 +/- 2.92   0.000% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  27.45 +/- 1.15   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  23.27 +/- 1.04   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  30.30 +/- 2.03   0.000% *  0.0199% (0.20   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 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 = 5.39, residual support = 93.2:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.968% * 99.4888% (1.00  10.0 10.00   5.39  93.25) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.03 +/- 0.46   0.027% *  0.0918% (0.92   1.0  1.00   0.02   8.29) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35   9.83 +/- 0.82   0.004% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  11.38 +/- 0.88   0.002% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  19.50 +/- 2.51   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  22.92 +/- 2.01   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  24.12 +/- 2.56   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  20.26 +/- 2.59   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 93.2:
    * O T HA    ASN   28 - HB3   ASN   28   2.43 +/- 0.04  99.758% * 99.4977% (1.00  10.0 10.00   4.20  93.25) = 100.000%  kept
          HA    THR   26 - HB3   ASN   28   6.72 +/- 0.16   0.225% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   ASN   28  11.73 +/- 0.28   0.008% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  13.69 +/- 3.01   0.007% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  14.88 +/- 0.59   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  24.26 +/- 0.79   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  26.42 +/- 2.07   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  27.64 +/- 1.10   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  30.19 +/- 2.93   0.000% *  0.0523% (0.53   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 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 93.2:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.989% * 99.2152% (1.00  10.0 10.00   5.39  93.25) = 100.000%  kept
        T HB2   ASN   35 - HB3   ASN   28   9.83 +/- 0.82   0.004% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   28  10.24 +/- 1.54   0.004% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  10.50 +/- 0.79   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  18.91 +/- 0.53   0.000% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  15.70 +/- 0.62   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  22.88 +/- 1.62   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 = 4.64, residual support = 92.0:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.95 +/- 0.11  99.132% * 98.3644% (1.00  10.0 10.00   4.64  91.98) =  99.999%  kept
        T HB2   GLU-  29 - HA    GLN   32   8.08 +/- 0.30   0.240% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HA    LYS+  33   8.47 +/- 0.62   0.194% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PHE   72 - HA    GLU-  29  15.81 +/- 0.50   0.004% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32   9.82 +/- 1.27   0.101% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  10.73 +/- 2.56   0.152% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  10.24 +/- 1.37   0.078% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  14.90 +/- 0.61   0.006% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  13.87 +/- 2.10   0.015% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  14.62 +/- 1.21   0.008% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  15.55 +/- 2.05   0.007% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  13.38 +/- 2.30   0.020% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  16.56 +/- 0.66   0.003% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  18.02 +/- 0.79   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  13.94 +/- 2.50   0.017% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  19.80 +/- 1.18   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  22.95 +/- 1.03   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  16.34 +/- 0.60   0.004% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  16.73 +/- 2.15   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  24.61 +/- 1.30   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  17.73 +/- 0.69   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  27.74 +/- 1.32   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  17.65 +/- 0.65   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.90 +/- 1.10   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  22.03 +/- 1.08   0.001% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  23.60 +/- 1.48   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  23.70 +/- 1.51   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  21.55 +/- 0.97   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  22.31 +/- 0.92   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  21.57 +/- 0.79   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  23.69 +/- 1.01   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  28.92 +/- 1.33   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  30.46 +/- 1.28   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 0.28 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.837, support = 5.06, residual support = 91.2:
      O   HB3   GLU-  29 - HA    GLU-  29   2.71 +/- 0.16  35.106% * 44.1579% (0.80  10.0  1.00   5.15  91.98) =  77.308%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.47 +/- 0.14   7.943% * 55.1465% (1.00  10.0 10.00   4.90  91.98) =  21.844%  kept
          QB    GLU-  36 - HA    LYS+  33   2.51 +/- 0.21  55.661% *  0.3050% (0.13   1.0  1.00   0.83   0.02) =   0.847%  kept
          QB    GLU-  36 - HA    GLN   32   4.97 +/- 0.32   0.980% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33   9.57 +/- 0.77   0.019% *  0.1512% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  29   7.99 +/- 0.53   0.055% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   7.54 +/- 0.86   0.086% *  0.0121% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   7.56 +/- 0.33   0.077% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.76 +/- 0.26   0.031% *  0.0124% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   8.86 +/- 0.27   0.029% *  0.0110% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.50 +/- 0.22   0.010% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  14.99 +/- 0.30   0.001% *  0.0400% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  15.86 +/- 0.88   0.001% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  23.67 +/- 0.93   0.000% *  0.0522% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  19.91 +/- 0.88   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  21.01 +/- 0.97   0.000% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  25.65 +/- 0.72   0.000% *  0.0117% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  28.00 +/- 0.91   0.000% *  0.0143% (0.26   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 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 92.0:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.30 +/- 0.35  99.686% * 99.0116% (1.00  10.0 10.00   4.64  91.98) =  99.999%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.41 +/- 0.89   0.170% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  29 - HA    GLN   32   7.28 +/- 0.36   0.133% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  14.47 +/- 0.71   0.003% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  15.61 +/- 0.81   0.002% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.16 +/- 0.51   0.001% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  16.48 +/- 1.02   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  19.08 +/- 0.77   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  15.45 +/- 0.98   0.002% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  25.58 +/- 0.86   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.95 +/- 0.59   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  17.73 +/- 0.91   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.39 +/- 0.50   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.95 +/- 0.67   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  27.91 +/- 2.06   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  24.40 +/- 1.04   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  25.58 +/- 0.96   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.32 +/- 0.74   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.33 +/- 0.65   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  28.27 +/- 2.51   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  28.07 +/- 2.04   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 92.0:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.95 +/- 0.11  99.543% * 98.1508% (1.00  10.0 10.00   4.64  91.98) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.47 +/- 0.62   0.195% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HB2   GLU-  29   8.08 +/- 0.30   0.241% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   GLU-  29  14.44 +/- 1.33   0.009% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLU-  29  14.78 +/- 0.77   0.007% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  16.09 +/- 0.73   0.004% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  22.33 +/- 1.19   0.001% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  20.99 +/- 0.92   0.001% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  27.77 +/- 1.24   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  26.83 +/- 0.82   0.000% *  0.0274% (0.28   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 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 = 0.839, support = 4.4, residual support = 92.0:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  83.986% * 44.1051% (0.80  10.0  1.00   4.41  91.98) =  80.771%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.32 +/- 0.10  16.010% * 55.0806% (1.00  10.0 10.00   4.34  91.98) =  19.229%  kept
          QB    GLU-  36 - HB2   GLU-  29   9.69 +/- 0.53   0.003% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   GLU-  29  13.95 +/- 1.11   0.000% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  23.00 +/- 1.21   0.000% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.80 +/- 0.46   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 = 92.0:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.81 +/- 0.17  99.989% * 99.6674% (1.00  10.0 10.00   4.00  91.98) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  14.91 +/- 0.98   0.005% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  17.32 +/- 0.82   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  17.21 +/- 1.06   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  24.82 +/- 0.90   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.00 +/- 0.78   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  27.34 +/- 2.23   0.000% *  0.0645% (0.65   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 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 92.0:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.30 +/- 0.35  99.692% * 98.1508% (1.00  10.0 10.00   4.64  91.98) =  99.998%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.41 +/- 0.89   0.170% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG2   GLU-  29   7.28 +/- 0.36   0.133% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   GLU-  29  14.93 +/- 1.06   0.002% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLU-  29  17.11 +/- 0.97   0.001% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.49 +/- 0.89   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  21.69 +/- 0.90   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  24.36 +/- 1.10   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  29.56 +/- 1.27   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.83 +/- 0.70   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 92.0:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.81 +/- 0.17  99.977% * 99.5124% (1.00  10.0 10.00   4.00  91.98) = 100.000%  kept
          QG    GLU-  14 - HG2   GLU-  29  16.02 +/- 2.24   0.005% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG2   GLU-  29  14.84 +/- 2.22   0.008% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  16.62 +/- 1.27   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  17.13 +/- 0.88   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  18.14 +/- 0.83   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  17.78 +/- 0.80   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  20.30 +/- 1.47   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  24.81 +/- 1.17   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  26.26 +/- 1.35   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  28.68 +/- 1.27   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.39 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.12, residual support = 92.0:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  94.616% * 55.3193% (1.00  10.0 10.00   4.11  91.98) =  95.646%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.87 +/- 0.17   5.379% * 44.2962% (0.80  10.0 10.00   4.41  91.98) =   4.354%  kept
        T QB    GLU-  36 - HG2   GLU-  29   9.18 +/- 0.67   0.005% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  16.79 +/- 0.60   0.000% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  15.69 +/- 1.03   0.000% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  24.23 +/- 1.01   0.000% *  0.0523% (0.95   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 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 = 0.921, support = 4.84, residual support = 157.0:
      O T HG3   GLN   30 - HA    GLN   30   2.47 +/- 0.52  62.635% * 46.1414% (0.87  10.0 10.00   4.79 157.03) =  59.261%  kept
    * O T HB2   GLN   30 - HA    GLN   30   2.66 +/- 0.15  37.350% * 53.1933% (1.00  10.0 10.00   4.91 157.03) =  40.739%  kept
          HB3   GLU- 100 - HA    GLN   30  13.82 +/- 1.13   0.002% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLN   30  10.88 +/- 1.63   0.011% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  21.93 +/- 1.10   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  14.67 +/- 0.96   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  18.04 +/- 1.42   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  22.25 +/- 1.23   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  22.80 +/- 1.71   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  28.25 +/- 1.26   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  26.75 +/- 2.35   0.000% *  0.0461% (0.87   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 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.988, support = 5.19, residual support = 154.6:
    * O T HB3   GLN   30 - HA    GLN   30   2.98 +/- 0.10  53.790% * 97.6674% (1.00  10.0 10.00   5.25 157.03) =  98.419%  kept
          QB    LYS+  33 - HA    GLN   30   3.10 +/- 0.53  46.198% *  1.8265% (0.25   1.0  1.00   1.50   0.17) =   1.581%  kept
          HB3   LYS+  38 - HA    GLN   30  13.39 +/- 0.48   0.007% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  16.68 +/- 0.71   0.002% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  17.90 +/- 0.56   0.001% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  19.96 +/- 3.06   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  23.97 +/- 1.62   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  24.17 +/- 1.17   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  24.69 +/- 0.71   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.20 +/- 1.10   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  22.87 +/- 1.41   0.000% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  26.36 +/- 2.56   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 157.0:
    * O T HG2   GLN   30 - HA    GLN   30   3.25 +/- 0.43  99.242% * 99.8053% (1.00  10.0 10.00   5.74 157.03) =  99.999%  kept
          HB3   ASN   28 - HA    GLN   30   7.58 +/- 0.07   0.752% *  0.0921% (0.92   1.0  1.00   0.02   8.29) =   0.001%
          QE    LYS+ 121 - HA    GLN   30  20.38 +/- 2.49   0.003% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  19.75 +/- 2.59   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 157.0:
    * O T HA    GLN   30 - HB2   GLN   30   2.66 +/- 0.15  99.747% * 99.6678% (1.00  10.0 10.00   4.91 157.03) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   7.87 +/- 0.87   0.182% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   9.34 +/- 0.72   0.060% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  15.02 +/- 1.31   0.004% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  14.73 +/- 2.11   0.006% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  20.66 +/- 1.18   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  18.02 +/- 0.65   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.35 +/- 0.93   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.75 +/- 1.49   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.19, residual support = 157.0:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.703% * 98.9590% (1.00  10.0 10.00   4.19 157.03) = 100.000%  kept
          QB    LYS+  33 - HB2   GLN   30   4.79 +/- 0.48   0.295% *  0.0247% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  14.64 +/- 0.73   0.000% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  13.53 +/- 0.70   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  16.72 +/- 0.80   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  21.44 +/- 1.65   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  24.06 +/- 2.46   0.000% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.26 +/- 0.63   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  21.93 +/- 1.21   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.03 +/- 1.16   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  20.81 +/- 1.42   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  21.13 +/- 2.89   0.000% *  0.0173% (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 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.79, residual support = 157.0:
    * O T HG2   GLN   30 - HB2   GLN   30   2.86 +/- 0.22  99.763% * 99.8053% (1.00  10.0 10.00   5.79 157.03) = 100.000%  kept
          HB3   ASN   28 - HB2   GLN   30   7.89 +/- 0.45   0.232% *  0.0921% (0.92   1.0  1.00   0.02   8.29) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  18.55 +/- 2.50   0.002% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  17.82 +/- 2.57   0.003% *  0.0340% (0.34   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 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 157.0:
    * O T HA    GLN   30 - HB3   GLN   30   2.98 +/- 0.10  99.777% * 99.5115% (1.00  10.0 10.00   5.25 157.03) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30   9.07 +/- 0.70   0.138% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30  10.41 +/- 0.79   0.060% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  13.74 +/- 1.15   0.013% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  15.73 +/- 2.16   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  22.07 +/- 1.40   0.001% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  20.48 +/- 1.16   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  17.36 +/- 0.67   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.03 +/- 0.89   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.994, support = 4.24, residual support = 157.0:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  94.396% * 53.1733% (1.00  10.0 10.00   4.19 157.03) =  95.105%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.85 +/- 0.18   5.601% * 46.1240% (0.87  10.0  1.00   5.10 157.03) =   4.895%  kept
          HB3   GLU- 100 - HB3   GLN   30  14.18 +/- 1.22   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  11.72 +/- 1.48   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  24.38 +/- 2.29   0.000% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  14.22 +/- 0.82   0.000% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  19.64 +/- 1.29   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  18.15 +/- 1.23   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  21.14 +/- 1.68   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  19.33 +/- 1.06   0.000% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  25.84 +/- 1.32   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 = 5.97, residual support = 157.0:
    * O T HG2   GLN   30 - HB3   GLN   30   2.43 +/- 0.23  99.759% * 99.8053% (1.00  10.0 10.00   5.97 157.03) = 100.000%  kept
          HB3   ASN   28 - HB3   GLN   30   6.73 +/- 0.39   0.239% *  0.0921% (0.92   1.0  1.00   0.02   8.29) =   0.000%
          QE    LYS+ 121 - HB3   GLN   30  19.12 +/- 2.31   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  18.73 +/- 2.61   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 157.0:
    * O T HA    GLN   30 - HG2   GLN   30   3.25 +/- 0.43  99.690% * 99.6678% (1.00  10.0 10.00   5.74 157.03) = 100.000%  kept
          HB    THR   39 - HG2   GLN   30  10.07 +/- 0.93   0.183% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  11.09 +/- 0.73   0.079% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  14.26 +/- 1.19   0.019% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG2   GLN   30  14.93 +/- 2.03   0.020% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  20.43 +/- 1.17   0.002% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  18.28 +/- 1.02   0.005% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  24.99 +/- 1.16   0.001% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  21.99 +/- 1.54   0.001% *  0.0175% (0.18   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 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.876, support = 6.27, residual support = 157.0:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  94.226% * 46.1414% (0.87  10.0 10.00   6.30 157.03) =  93.405%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.86 +/- 0.22   5.771% * 53.1933% (1.00  10.0 10.00   5.79 157.03) =   6.595%  kept
          QB    GLU-  15 - HG2   GLN   30  11.28 +/- 1.32   0.002% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HG2   GLN   30  19.89 +/- 1.22   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  15.98 +/- 1.17   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  13.33 +/- 0.76   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  18.31 +/- 1.72   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  20.91 +/- 1.47   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  21.94 +/- 1.62   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  26.82 +/- 1.16   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  24.15 +/- 2.43   0.000% *  0.0461% (0.87   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 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 157.0:
    * O T HB3   GLN   30 - HG2   GLN   30   2.43 +/- 0.23  99.119% * 99.4599% (1.00  10.0 10.00   5.97 157.03) = 100.000%  kept
          QB    LYS+  33 - HG2   GLN   30   5.83 +/- 0.58   0.874% *  0.0248% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HG2   GLN   30  15.81 +/- 0.61   0.002% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  15.96 +/- 1.05   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  15.78 +/- 0.71   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  21.97 +/- 1.67   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  22.50 +/- 1.13   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  22.29 +/- 1.14   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  21.03 +/- 3.21   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  20.63 +/- 1.61   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  18.97 +/- 1.25   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  23.75 +/- 2.54   0.000% *  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 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 = 232.8:
    * O T HB2   LEU   31 - HA    LEU   31   3.01 +/- 0.01  99.416% * 99.2507% (1.00  10.0 10.00   6.00 232.78) = 100.000%  kept
          HG    LEU   98 - HA    LEU   31   8.26 +/- 1.38   0.419% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31  10.18 +/- 0.58   0.072% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  10.61 +/- 0.59   0.056% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  13.99 +/- 0.48   0.010% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  14.24 +/- 0.55   0.009% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  16.92 +/- 1.02   0.003% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  14.87 +/- 0.56   0.007% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  20.25 +/- 3.31   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  16.44 +/- 0.34   0.004% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  20.69 +/- 0.91   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.24 +/- 1.79   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.14 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 232.8:
    * O T HB3   LEU   31 - HA    LEU   31   2.42 +/- 0.06  99.981% * 99.6763% (1.00  10.0 10.00   6.00 232.78) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31  11.01 +/- 0.46   0.012% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  13.08 +/- 0.51   0.004% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  19.23 +/- 1.77   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  15.99 +/- 0.61   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.62 +/- 0.66   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  19.71 +/- 1.54   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  27.52 +/- 1.71   0.000% *  0.0564% (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 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.99, residual support = 232.7:
    * O T HG    LEU   31 - HA    LEU   31   3.12 +/- 0.54  71.030% * 99.6594% (0.80  10.0 10.00   5.99 232.78) =  99.986%  kept
          QG1   VAL   41 - HA    LEU   31   3.78 +/- 0.52  27.578% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.012%
          QD2   LEU   73 - HA    LEU   31   6.33 +/- 0.68   1.387% *  0.1149% (0.92   1.0  1.00   0.02   1.31) =   0.002%
          QD1   ILE   56 - HA    LEU   31  18.76 +/- 1.63   0.003% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  18.59 +/- 1.43   0.002% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.14 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 232.8:
    *   T QD1   LEU   31 - HA    LEU   31   3.62 +/- 0.12 100.000% *100.0000% (1.00 10.00   4.85 232.78) = 100.000%  kept
    Distance limit 3.31 A violated in 0 structures by 0.31 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 232.8:
    *   T QD2   LEU   31 - HA    LEU   31   2.45 +/- 0.71  99.416% * 99.6345% (1.00 10.00   5.73 232.78) =  99.999%  kept
        T QG2   VAL   43 - HA    LEU   31   7.33 +/- 0.70   0.504% *  0.2484% (0.25 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HA    LEU   31  10.34 +/- 0.78   0.063% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  12.24 +/- 0.45   0.018% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.18 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 232.8:
    * O T HA    LEU   31 - HB2   LEU   31   3.01 +/- 0.01 100.000% *100.0000% (1.00  10.0 10.00   6.00 232.78) = 100.000%  kept
    Distance limit 3.50 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 = 232.8:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.995% * 99.6763% (1.00  10.0 10.00   6.00 232.78) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   9.55 +/- 0.44   0.004% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  13.93 +/- 0.55   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  21.24 +/- 1.72   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.05 +/- 0.58   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.51 +/- 0.82   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  21.60 +/- 1.57   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  28.91 +/- 1.67   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 = 6.02, residual support = 232.8:
    * O T HG    LEU   31 - HB2   LEU   31   2.58 +/- 0.34  98.012% * 99.6594% (0.80  10.0 10.00   6.02 232.78) =  99.999%  kept
          QG1   VAL   41 - HB2   LEU   31   5.32 +/- 0.45   1.788% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HB2   LEU   31   7.84 +/- 0.57   0.199% *  0.1149% (0.92   1.0  1.00   0.02   1.31) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  19.95 +/- 1.62   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  20.37 +/- 1.50   0.001% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 232.8:
    * O T QD1   LEU   31 - HB2   LEU   31   2.60 +/- 0.11 100.000% *100.0000% (1.00  10.0 10.00   4.87 232.78) = 100.000%  kept
    Distance limit 3.24 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 = 232.8:
    * O T QD2   LEU   31 - HB2   LEU   31   2.76 +/- 0.48  99.533% * 99.6345% (1.00  10.0 10.00   5.76 232.78) =  99.999%  kept
        T QG2   VAL   43 - HB2   LEU   31   7.63 +/- 0.75   0.360% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB2   LEU   31   9.49 +/- 0.85   0.084% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  12.06 +/- 0.59   0.022% *  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 = 232.8:
    * O T HA    LEU   31 - HB3   LEU   31   2.42 +/- 0.06 100.000% *100.0000% (1.00  10.0 10.00   6.00 232.78) = 100.000%  kept
    Distance limit 3.21 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 = 232.8:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.966% * 99.2507% (1.00  10.0 10.00   6.00 232.78) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   7.70 +/- 1.68   0.028% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  10.83 +/- 0.58   0.002% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  10.70 +/- 0.75   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  13.66 +/- 0.49   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.07 +/- 0.69   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  14.31 +/- 0.45   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  15.38 +/- 0.40   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  18.19 +/- 1.03   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  21.15 +/- 3.27   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.98 +/- 0.85   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  26.08 +/- 1.82   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 = 6.02, residual support = 232.8:
    * O T HG    LEU   31 - HB3   LEU   31   2.84 +/- 0.18  83.115% * 98.0242% (0.80  10.0 10.00   6.02 232.78) =  99.990%  kept
          QG1   VAL   41 - HB3   LEU   31   3.96 +/- 0.62  16.642% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.006%
        T QD2   LEU   73 - HB3   LEU   31   7.70 +/- 0.58   0.241% *  1.1301% (0.92   1.0 10.00   0.02   1.31) =   0.003%
        T HG3   LYS+ 121 - HB3   LEU   31  18.81 +/- 1.59   0.001% *  0.6931% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   31  19.34 +/- 1.63   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 = 232.8:
    * O T QD1   LEU   31 - HB3   LEU   31   2.14 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   4.87 232.78) = 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 = 232.8:
    * O T QD2   LEU   31 - HB3   LEU   31   2.89 +/- 0.23  99.436% * 99.6345% (1.00  10.0 10.00   5.76 232.78) =  99.999%  kept
        T QG2   VAL   43 - HB3   LEU   31   7.42 +/- 0.80   0.451% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB3   LEU   31   9.84 +/- 0.79   0.089% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  11.78 +/- 0.63   0.024% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 5.99, residual support = 232.8:
    * O T HA    LEU   31 - HG    LEU   31   3.12 +/- 0.54 100.000% *100.0000% (0.80  10.0 10.00   5.99 232.78) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 6.02, residual support = 232.8:
    * O T HB2   LEU   31 - HG    LEU   31   2.58 +/- 0.34  98.824% * 99.2507% (0.80  10.0 10.00   6.02 232.78) =  99.999%  kept
          HG    LEU   98 - HG    LEU   31   7.88 +/- 1.90   1.102% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HG    LEU   31  11.29 +/- 0.70   0.016% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  12.43 +/- 1.20   0.018% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  12.90 +/- 1.07   0.013% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  13.25 +/- 0.74   0.008% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  12.56 +/- 0.46   0.010% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  17.19 +/- 1.34   0.002% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  14.34 +/- 0.35   0.004% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  21.52 +/- 3.19   0.001% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.35 +/- 1.12   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  25.10 +/- 1.88   0.000% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.02, residual support = 232.8:
    * O T HB3   LEU   31 - HG    LEU   31   2.84 +/- 0.18  99.810% * 99.4283% (0.80  10.0 10.00   6.02 232.78) = 100.000%  kept
          QG1   VAL   24 - HG    LEU   31   8.79 +/- 0.84   0.165% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG    LEU   31  12.55 +/- 0.47   0.015% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  20.36 +/- 1.73   0.001% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  19.30 +/- 2.09   0.001% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  15.47 +/- 0.95   0.004% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.80 +/- 0.82   0.004% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  26.77 +/- 1.92   0.000% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.0, residual support = 232.8:
    * O T QD1   LEU   31 - HG    LEU   31   2.11 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   5.00 232.78) = 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 = 5.89, residual support = 232.8:
    * O T QD2   LEU   31 - HG    LEU   31   2.10 +/- 0.02  99.610% * 99.6345% (0.80  10.0 10.00   5.89 232.78) =  99.999%  kept
        T QG2   VAL   43 - HG    LEU   31   5.74 +/- 0.81   0.345% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HG    LEU   31   8.02 +/- 0.72   0.038% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  10.40 +/- 0.50   0.007% *  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 = 232.8:
    *   T HA    LEU   31 - QD1   LEU   31   3.62 +/- 0.12 100.000% *100.0000% (1.00 10.00   4.85 232.78) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 232.8:
    * O T HB2   LEU   31 - QD1   LEU   31   2.60 +/- 0.11  95.534% * 99.2507% (1.00  10.0 10.00   4.87 232.78) =  99.998%  kept
          HG    LEU   98 - QD1   LEU   31   5.38 +/- 1.65   4.290% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - QD1   LEU   31   9.48 +/- 0.45   0.043% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   31   9.76 +/- 0.50   0.038% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  10.82 +/- 0.76   0.022% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  11.16 +/- 0.66   0.017% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31  10.06 +/- 0.37   0.030% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  10.93 +/- 0.33   0.018% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  14.48 +/- 0.99   0.004% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  17.79 +/- 2.54   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.73 +/- 0.70   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.04 +/- 1.54   0.001% *  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 = 232.8:
    * O T HB3   LEU   31 - QD1   LEU   31   2.14 +/- 0.09  99.926% * 99.6763% (1.00  10.0 10.00   4.87 232.78) = 100.000%  kept
          QG1   VAL   24 - QD1   LEU   31   7.58 +/- 0.55   0.063% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD1   LEU   31  11.51 +/- 0.41   0.004% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  15.89 +/- 1.41   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.28 +/- 0.55   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.61 +/- 0.79   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  16.26 +/- 1.30   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  21.95 +/- 1.50   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.0, residual support = 232.8:
    * O T HG    LEU   31 - QD1   LEU   31   2.11 +/- 0.02  95.433% * 99.6594% (0.80  10.0 10.00   5.00 232.78) =  99.998%  kept
          QG1   VAL   41 - QD1   LEU   31   3.82 +/- 0.63   4.365% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QD1   LEU   31   6.14 +/- 0.68   0.200% *  0.1149% (0.92   1.0  1.00   0.02   1.31) =   0.000%
          QD1   ILE   56 - QD1   LEU   31  14.93 +/- 1.37   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  15.13 +/- 1.29   0.001% *  0.0705% (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 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 = 232.8:
    * O T QD2   LEU   31 - QD1   LEU   31   2.03 +/- 0.07  98.757% * 99.6345% (1.00  10.0 10.00   4.62 232.78) =  99.997%  kept
        T QG2   VAL   43 - QD1   LEU   31   4.58 +/- 0.71   1.072% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   83 - QD1   LEU   31   6.34 +/- 0.67   0.142% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31   7.97 +/- 0.54   0.029% *  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 = 5.73, residual support = 232.8:
    *   T HA    LEU   31 - QD2   LEU   31   2.45 +/- 0.71  99.495% * 99.9324% (1.00 10.00   5.73 232.78) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   7.33 +/- 0.70   0.505% *  0.0676% (0.07 10.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.14 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.8:
    * O T HB2   LEU   31 - QD2   LEU   31   2.76 +/- 0.48  93.362% * 98.7715% (1.00  10.0 10.00   5.76 232.78) =  99.998%  kept
          HG    LEU   98 - QD2   LEU   31   6.48 +/- 1.41   1.580% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   31 - QG2   VAL   43   7.63 +/- 0.75   0.330% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - QD2   LEU   31  10.32 +/- 0.65   0.040% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QG2   VAL   43   5.71 +/- 0.34   1.851% *  0.0054% (0.05   1.0  1.00   0.02  15.15) =   0.000%
          HB3   LEU   80 - QD2   LEU   31   9.17 +/- 0.71   0.078% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31  10.28 +/- 0.83   0.068% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31  10.35 +/- 0.71   0.060% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   6.92 +/- 0.82   0.709% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   6.27 +/- 1.13   1.132% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.86 +/- 0.54   0.041% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   7.04 +/- 0.64   0.472% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  13.62 +/- 1.21   0.012% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  11.99 +/- 0.37   0.018% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   8.86 +/- 0.37   0.117% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43  10.65 +/- 1.10   0.049% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  17.54 +/- 2.42   0.004% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.57 +/- 0.55   0.004% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43  10.37 +/- 0.69   0.042% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.16 +/- 0.67   0.018% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  20.59 +/- 1.45   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.96 +/- 1.59   0.004% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.89 +/- 0.64   0.005% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  16.82 +/- 1.64   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 232.8:
    * O T HB3   LEU   31 - QD2   LEU   31   2.89 +/- 0.23  97.765% * 99.5873% (1.00  10.0 10.00   5.76 232.78) =  99.999%  kept
        T HB3   LEU   31 - QG2   VAL   43   7.42 +/- 0.80   0.442% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD2   LEU   31   7.31 +/- 0.79   0.645% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   31   9.82 +/- 0.42   0.072% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   7.27 +/- 0.84   0.602% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.66 +/- 0.48   0.165% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  15.50 +/- 1.37   0.005% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.56 +/- 0.56   0.015% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.82 +/- 0.82   0.013% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.11 +/- 1.10   0.026% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.24 +/- 0.49   0.112% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.97 +/- 0.66   0.124% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  16.66 +/- 1.31   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  21.81 +/- 1.36   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  14.92 +/- 0.79   0.006% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  17.19 +/- 1.16   0.003% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.89, residual support = 232.8:
    * O T HG    LEU   31 - QD2   LEU   31   2.10 +/- 0.02  83.343% * 99.5693% (0.80  10.0 10.00   5.89 232.78) =  99.996%  kept
          QD2   LEU   73 - QD2   LEU   31   4.58 +/- 0.77   1.210% *  0.1148% (0.92   1.0  1.00   0.02   1.31) =   0.002%
          QG1   VAL   41 - QD2   LEU   31   4.14 +/- 0.83   3.752% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QG2   VAL   43   4.25 +/- 1.45  11.288% *  0.0078% (0.06   1.0  1.00   0.02   7.87) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   5.74 +/- 0.81   0.293% *  0.0674% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.50 +/- 0.40   0.104% *  0.0021% (0.02   1.0  1.00   0.02   1.82) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.58 +/- 1.36   0.001% *  0.1241% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.64 +/- 1.04   0.006% *  0.0084% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  15.64 +/- 1.31   0.001% *  0.0704% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  13.82 +/- 0.88   0.001% *  0.0048% (0.04   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 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 232.8:
    * O T QD1   LEU   31 - QD2   LEU   31   2.03 +/- 0.07  98.926% * 99.9324% (1.00  10.0 10.00   4.62 232.78) =  99.999%  kept
        T QD1   LEU   31 - QG2   VAL   43   4.58 +/- 0.71   1.074% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.686, support = 3.03, residual support = 42.5:
    * O T QB    GLN   32 - HA    GLN   32   2.47 +/- 0.07  65.506% * 48.6885% (0.69  10.0 10.00   2.96  44.38) =  94.251%  kept
        T QB    GLN   32 - HA    LYS+  33   4.02 +/- 0.15   3.689% * 50.1038% (0.71   1.0 10.00   4.38  11.65) =   5.461%  kept
        T QB    GLN   32 - HA    GLU-  29   2.85 +/- 0.29  30.747% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.288%
          HG3   GLU- 100 - HA    GLN   32  10.35 +/- 1.62   0.024% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  10.95 +/- 1.40   0.012% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLU-  29  10.41 +/- 0.45   0.012% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.31 +/- 0.55   0.002% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  15.01 +/- 1.48   0.002% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.58 +/- 0.43   0.001% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  17.37 +/- 1.49   0.001% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  14.20 +/- 1.94   0.003% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  20.23 +/- 1.13   0.000% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.83 +/- 1.16   0.000% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  18.03 +/- 1.84   0.001% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  16.77 +/- 1.59   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  28.54 +/- 1.16   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  29.24 +/- 1.06   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  28.62 +/- 1.09   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  30.90 +/- 1.84   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  29.11 +/- 1.62   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  31.91 +/- 1.66   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 2.99, residual support = 43.5:
    * O T QG    GLN   32 - HA    GLN   32   2.23 +/- 0.14  92.926% * 48.7402% (0.69  10.0 10.00   2.96  44.38) =  97.414%  kept
        T QG    GLN   32 - HA    LYS+  33   4.73 +/- 0.70   2.368% * 50.1570% (0.71   1.0 10.00   4.38  11.65) =   2.554%  kept
        T QG    GLN   32 - HA    GLU-  29   4.43 +/- 0.87   4.691% *  0.3172% (0.45   1.0 10.00   0.02   0.02) =   0.032%
        T HB2   GLU- 100 - HA    GLN   32  11.10 +/- 0.90   0.007% *  0.1355% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  12.20 +/- 0.84   0.004% *  0.1395% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  15.93 +/- 0.80   0.001% *  0.0882% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  14.24 +/- 0.87   0.002% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  18.09 +/- 0.83   0.000% *  0.0423% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  18.98 +/- 0.79   0.000% *  0.0435% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.32 +/- 0.74   0.000% *  0.0296% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.16 +/- 0.51   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.33 +/- 0.65   0.000% *  0.0304% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.95 +/- 0.59   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  29.56 +/- 1.42   0.000% *  0.0993% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.95 +/- 0.67   0.000% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.39 +/- 0.50   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  30.40 +/- 1.02   0.000% *  0.0628% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  28.27 +/- 2.51   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  28.07 +/- 2.04   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  27.91 +/- 2.06   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  29.51 +/- 1.20   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.693, support = 3.02, residual support = 42.2:
    * O T HA    GLN   32 - QB    GLN   32   2.47 +/- 0.07  65.539% * 46.7473% (0.69  10.0 10.00   2.96  44.38) =  93.565%  kept
        T HA    LYS+  33 - QB    GLN   32   4.02 +/- 0.15   3.691% * 52.0093% (0.76   1.0 10.00   4.38  11.65) =   5.862%  kept
        T HA    GLU-  29 - QB    GLN   32   2.85 +/- 0.29  30.764% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.573%  kept
          HA    VAL   70 - QB    GLN   32  13.22 +/- 0.63   0.003% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    GLN   32  15.18 +/- 0.80   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  15.71 +/- 1.05   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  26.88 +/- 0.89   0.000% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  20.03 +/- 0.66   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  23.70 +/- 0.97   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  25.13 +/- 1.25   0.000% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 264 (2.11, 2.11, 27.95 ppm):
    1 diagonal assignment:
    *     QB    GLN   32 - QB    GLN   32  (1.00)  kept
 
    Peak 265 (2.39, 2.11, 27.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.4:
    * O T QG    GLN   32 - QB    GLN   32   2.12 +/- 0.02  99.996% * 99.7611% (1.00  10.0 10.00   3.00  44.38) = 100.000%  kept
          HB2   GLU- 100 - QB    GLN   32  12.18 +/- 0.77   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QB    GLN   32  15.07 +/- 0.77   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  20.93 +/- 0.66   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  17.84 +/- 0.54   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  25.62 +/- 1.91   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  27.37 +/- 1.09   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.689, support = 2.99, residual support = 43.4:
    * O T HA    GLN   32 - QG    GLN   32   2.23 +/- 0.14  92.937% * 46.7583% (0.69  10.0 10.00   2.96  44.38) =  97.181%  kept
        T HA    LYS+  33 - QG    GLN   32   4.73 +/- 0.70   2.368% * 52.0216% (0.76   1.0 10.00   4.38  11.65) =   2.755%  kept
        T HA    GLU-  29 - QG    GLN   32   4.43 +/- 0.87   4.692% *  0.6105% (0.90   1.0 10.00   0.02   0.02) =   0.064%
          HA    VAL   70 - QG    GLN   32  13.96 +/- 0.65   0.002% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  16.54 +/- 1.39   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  16.60 +/- 0.89   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  25.94 +/- 1.30   0.000% *  0.3052% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  20.59 +/- 1.13   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  25.08 +/- 1.38   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  28.10 +/- 1.20   0.000% *  0.0331% (0.49   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 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.4:
    * O T QB    GLN   32 - QG    GLN   32   2.12 +/- 0.02  99.987% * 99.6746% (1.00  10.0 10.00   3.00  44.38) = 100.000%  kept
          HG3   GLU- 100 - QG    GLN   32  10.99 +/- 1.55   0.009% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QG    GLN   32  12.82 +/- 1.29   0.003% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.52 +/- 1.08   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  16.55 +/- 1.70   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  27.61 +/- 1.06   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  28.77 +/- 1.71   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.21, residual support = 151.9:
    * O T QB    LYS+  33 - HA    LYS+  33   2.19 +/- 0.04  98.573% * 96.5845% (1.00  10.0 10.00   6.21 151.95) =  99.997%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.69 +/- 0.85   0.498% *  0.2697% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HA    GLN   32   5.32 +/- 0.20   0.491% *  0.2484% (0.26   1.0 10.00   0.02  11.65) =   0.001%
          HB3   GLN   30 - HA    GLU-  29   5.74 +/- 0.26   0.319% *  0.0067% (0.07   1.0  1.00   0.02  19.50) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   8.03 +/- 0.38   0.044% *  0.0241% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.84 +/- 0.24   0.012% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.76 +/- 0.21   0.052% *  0.0062% (0.06   1.0  1.00   0.02   1.52) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  17.07 +/- 0.53   0.000% *  0.2602% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  22.24 +/- 0.66   0.000% *  0.9321% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.98 +/- 0.22   0.006% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  20.06 +/- 0.51   0.000% *  0.2397% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  18.70 +/- 1.25   0.000% *  0.0892% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.52 +/- 0.64   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  18.91 +/- 0.68   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  15.90 +/- 1.08   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  20.64 +/- 1.07   0.000% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  17.13 +/- 0.80   0.000% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.55 +/- 0.29   0.001% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  18.19 +/- 0.67   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  18.56 +/- 1.19   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  19.64 +/- 1.14   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  21.26 +/- 1.00   0.000% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  21.80 +/- 1.04   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  27.37 +/- 1.18   0.000% *  0.0957% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  32.20 +/- 1.19   0.000% *  0.2408% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  23.16 +/- 1.35   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  23.00 +/- 1.06   0.000% *  0.0249% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.86 +/- 1.47   0.000% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  31.05 +/- 2.45   0.000% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  25.78 +/- 2.81   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  24.95 +/- 1.09   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  29.80 +/- 1.02   0.000% *  0.0672% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  31.27 +/- 1.10   0.000% *  0.0619% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  29.15 +/- 2.49   0.000% *  0.0260% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  27.06 +/- 1.54   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  27.69 +/- 1.55   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  31.08 +/- 2.25   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  29.05 +/- 0.55   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  26.77 +/- 2.56   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  28.55 +/- 2.44   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  26.22 +/- 0.59   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.39 +/- 0.75   0.000% *  0.0038% (0.04   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 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.994, support = 5.99, residual support = 150.9:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.11 +/- 0.24  93.442% * 76.3092% (1.00  10.0 10.00   6.00 151.95) =  99.259%  kept
        T HG3   LYS+  33 - HA    GLN   32   6.25 +/- 0.87   2.677% * 19.6245% (0.26   1.0 10.00   4.22  11.65) =   0.731%  kept
        T HG3   LYS+  33 - HA    GLU-  29   7.27 +/- 1.87   3.311% *  0.2130% (0.28   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   LYS+ 102 - HA    LYS+  33  17.18 +/- 1.69   0.004% *  0.7219% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  33  13.96 +/- 2.71   0.048% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  14.61 +/- 2.00   0.014% *  0.1856% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  11.43 +/- 0.75   0.043% *  0.0401% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  12.91 +/- 0.76   0.021% *  0.0736% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  12.82 +/- 0.72   0.020% *  0.0756% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32   9.62 +/- 0.98   0.136% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  11.14 +/- 0.48   0.051% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  21.63 +/- 1.78   0.001% *  0.7563% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  21.05 +/- 0.66   0.001% *  0.6110% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  18.53 +/- 1.83   0.003% *  0.2015% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  13.02 +/- 0.78   0.021% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  12.13 +/- 1.07   0.031% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  13.28 +/- 0.74   0.017% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  19.01 +/- 0.82   0.002% *  0.1571% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  16.78 +/- 2.86   0.017% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  14.09 +/- 0.78   0.012% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  20.85 +/- 0.70   0.001% *  0.1706% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  13.82 +/- 1.09   0.014% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  11.81 +/- 1.32   0.040% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  17.56 +/- 2.75   0.007% *  0.0157% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  23.46 +/- 1.46   0.001% *  0.2112% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  23.85 +/- 1.59   0.001% *  0.1945% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  17.87 +/- 0.96   0.003% *  0.0212% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  13.37 +/- 0.79   0.017% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  13.88 +/- 1.48   0.015% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  15.69 +/- 0.71   0.006% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  15.42 +/- 0.43   0.007% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  19.44 +/- 0.59   0.002% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  18.66 +/- 0.79   0.002% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  17.41 +/- 0.44   0.003% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  18.34 +/- 0.76   0.002% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  16.82 +/- 0.63   0.004% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  23.63 +/- 2.30   0.001% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  26.12 +/- 1.04   0.000% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  32.39 +/- 1.47   0.000% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  23.10 +/- 2.29   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  24.52 +/- 0.90   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  25.53 +/- 2.16   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  25.26 +/- 0.88   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  32.14 +/- 1.12   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  32.00 +/- 1.14   0.000% *  0.0176% (0.23   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 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.993, support = 4.77, residual support = 150.8:
    *   T QD    LYS+  33 - HA    LYS+  33   3.77 +/- 0.41  90.830% * 76.4468% (1.00 10.00   4.79 151.95) =  99.167%  kept
        T QD    LYS+  33 - HA    GLN   32   7.16 +/- 0.61   2.053% * 19.6599% (0.26 10.00   3.10  11.65) =   0.577%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.95 +/- 1.40   7.082% *  2.5309% (0.28 10.00   0.24   0.02) =   0.256%
          HD2   LYS+  74 - HA    LYS+  33  18.99 +/- 0.94   0.006% *  0.0433% (0.57  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  22.41 +/- 1.56   0.002% *  0.0663% (0.87  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  33.26 +/- 1.16   0.000% *  0.6856% (0.90 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  17.29 +/- 0.73   0.011% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  26.16 +/- 3.25   0.001% *  0.0764% (1.00  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  19.27 +/- 0.84   0.006% *  0.0111% (0.15  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  21.60 +/- 1.57   0.003% *  0.0185% (0.24  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  31.87 +/- 1.18   0.000% *  0.1763% (0.23 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  32.47 +/- 0.97   0.000% *  0.1914% (0.25 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  22.84 +/- 1.49   0.002% *  0.0171% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  27.18 +/- 2.91   0.001% *  0.0197% (0.26  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  29.22 +/- 2.69   0.001% *  0.0213% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  31.62 +/- 2.59   0.000% *  0.0151% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  29.62 +/- 2.56   0.000% *  0.0042% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  31.59 +/- 2.40   0.000% *  0.0039% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.25 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.761, support = 4.85, residual support = 112.5:
    *   T QE    LYS+  33 - HA    LYS+  33   3.90 +/- 0.88  25.210% * 50.2902% (1.00 10.00   5.44 151.95) =  70.079%  kept
        T HB2   ASN   28 - HA    GLU-  29   3.80 +/- 0.09  20.663% * 13.7624% (0.27 10.00   4.75  33.00) =  15.719%  kept
        T HB2   ASN   35 - HA    GLN   32   3.36 +/- 0.67  48.632% *  4.4116% (0.09 10.00   2.15   6.43) =  11.859%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.55 +/- 0.24   1.986% * 16.8146% (0.34 10.00   1.96   1.20) =   1.846%  kept
        T QE    LYS+  33 - HA    GLN   32   6.98 +/- 1.37   0.664% * 12.9332% (0.26 10.00   3.32  11.65) =   0.475%
        T QE    LYS+  33 - HA    GLU-  29   6.93 +/- 1.75   2.289% *  0.1404% (0.28 10.00   0.02   0.02) =   0.018%
        T HB2   ASN   28 - HA    GLN   32   7.66 +/- 0.36   0.332% *  0.1268% (0.25 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   28 - HA    LYS+  33  10.28 +/- 0.49   0.056% *  0.4929% (0.98 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   35 - HA    GLU-  29   8.63 +/- 0.68   0.137% *  0.0479% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  20.32 +/- 1.98   0.001% *  0.4510% (0.90 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  17.09 +/- 0.78   0.003% *  0.0313% (0.06 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  21.78 +/- 1.71   0.001% *  0.1259% (0.25 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  21.41 +/- 0.90   0.001% *  0.1120% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  13.87 +/- 1.23   0.009% *  0.0078% (0.15  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  22.40 +/- 1.81   0.001% *  0.1160% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  14.58 +/- 0.63   0.006% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  19.07 +/- 0.58   0.001% *  0.0345% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  15.79 +/- 0.60   0.004% *  0.0089% (0.18  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  20.70 +/- 0.75   0.001% *  0.0288% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.51 +/- 0.78   0.000% *  0.0325% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  20.76 +/- 0.68   0.001% *  0.0091% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  16.55 +/- 1.13   0.003% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.03 +/- 0.93   0.001% *  0.0022% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.47 +/- 0.59   0.000% *  0.0084% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 151.9:
    * O T HA    LYS+  33 - QB    LYS+  33   2.19 +/- 0.04  98.490% * 98.1731% (1.00  10.0 10.00   6.21 151.95) =  99.994%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.69 +/- 0.85   0.498% *  0.9474% (0.97   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLN   32 - QB    LYS+  33   5.32 +/- 0.20   0.491% *  0.2730% (0.28   1.0 10.00   0.02  11.65) =   0.001%
          HB2   SER   37 - QB    LYS+  33   5.86 +/- 0.78   0.499% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    LYS+  33   9.73 +/- 0.92   0.017% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  11.88 +/- 0.91   0.005% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  17.99 +/- 1.15   0.000% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  22.86 +/- 1.46   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  25.92 +/- 0.94   0.000% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  22.98 +/- 1.03   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  21.64 +/- 0.51   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.21, residual support = 152.0:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.49 +/- 0.07  99.857% * 96.3761% (1.00  10.0 10.00   6.21 151.95) = 100.000%  kept
        T QB    LEU   98 - QB    LYS+  33  10.09 +/- 0.69   0.025% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+  33   9.64 +/- 0.71   0.035% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33  11.47 +/- 2.43   0.038% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  10.15 +/- 0.80   0.025% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  15.94 +/- 1.50   0.002% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  17.61 +/- 1.64   0.001% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.31 +/- 0.51   0.001% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  11.96 +/- 0.85   0.010% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  13.93 +/- 0.90   0.004% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  15.20 +/- 0.88   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  16.31 +/- 0.71   0.001% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  20.59 +/- 1.84   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  21.85 +/- 1.01   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  27.59 +/- 1.45   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 = 5.07, residual support = 152.0:
    * O T QD    LYS+  33 - QB    LYS+  33   2.17 +/- 0.12  99.998% * 97.3258% (1.00  10.0 10.00   5.07 151.95) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  15.05 +/- 0.90   0.001% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  22.56 +/- 2.89   0.000% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  18.47 +/- 1.48   0.000% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  28.68 +/- 1.11   0.000% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  26.39 +/- 2.39   0.000% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 152.0:
    *   T QE    LYS+  33 - QB    LYS+  33   2.75 +/- 0.62  98.651% * 98.6189% (1.00 10.00   5.65 151.95) =  99.999%  kept
          HB2   ASN   35 - QB    LYS+  33   6.50 +/- 0.39   1.091% *  0.0336% (0.34  1.00   0.02   1.20) =   0.000%
          HB2   ASN   28 - QB    LYS+  33   8.56 +/- 0.70   0.198% *  0.0967% (0.98  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  16.57 +/- 1.84   0.005% *  0.8844% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  11.94 +/- 1.20   0.046% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  17.27 +/- 0.93   0.003% *  0.2196% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  16.26 +/- 0.63   0.004% *  0.0677% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  21.00 +/- 0.84   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 = 0.993, support = 5.98, residual support = 150.7:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.11 +/- 0.24  84.204% * 74.2013% (1.00  10.0 10.00   6.00 151.95) =  99.107%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.25 +/- 0.87   2.607% * 20.6307% (0.28   1.0 10.00   4.22  11.65) =   0.853%  kept
        T HA    GLU-  29 - HG3   LYS+  33   7.27 +/- 1.87   3.284% *  0.7161% (0.97   1.0 10.00   0.02   0.02) =   0.037%
          HB2   SER   37 - HG3   LYS+  33   5.58 +/- 1.94   9.148% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - HG3   LYS+  65   8.00 +/- 1.21   0.398% *  0.0606% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  33  10.08 +/- 1.47   0.093% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  15.56 +/- 2.85   0.127% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  17.18 +/- 1.69   0.004% *  0.3686% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  12.50 +/- 1.21   0.025% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.61 +/- 2.00   0.013% *  0.1025% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  13.24 +/- 1.04   0.018% *  0.0702% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  18.53 +/- 1.83   0.003% *  0.3557% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  14.03 +/- 1.20   0.013% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  13.60 +/- 0.70   0.014% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  21.63 +/- 1.78   0.001% *  0.6408% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  20.85 +/- 0.70   0.001% *  0.4550% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  21.05 +/- 0.66   0.001% *  0.4715% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  23.46 +/- 1.46   0.000% *  0.6184% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  15.46 +/- 0.79   0.007% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.01 +/- 0.82   0.002% *  0.1311% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  14.01 +/- 1.03   0.012% *  0.0146% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  18.07 +/- 0.61   0.003% *  0.0446% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  20.78 +/- 2.10   0.002% *  0.0665% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  20.35 +/- 1.26   0.001% *  0.0728% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  23.85 +/- 1.59   0.000% *  0.1782% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  20.43 +/- 0.80   0.001% *  0.0423% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  16.59 +/- 1.83   0.006% *  0.0082% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.79 +/- 2.32   0.001% *  0.0349% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  20.41 +/- 1.70   0.001% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  21.78 +/- 2.23   0.001% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  18.83 +/- 1.82   0.002% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  25.02 +/- 1.56   0.000% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  23.19 +/- 2.23   0.001% *  0.0331% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  19.98 +/- 2.22   0.002% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.26 +/- 0.75   0.001% *  0.0248% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  20.25 +/- 0.80   0.001% *  0.0105% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.06 +/- 1.21   0.000% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.52 +/- 1.23   0.001% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.44 +/- 1.08   0.000% *  0.0229% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  27.99 +/- 1.09   0.000% *  0.0575% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  27.54 +/- 1.16   0.000% *  0.0198% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  29.81 +/- 1.46   0.000% *  0.0194% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.11 +/- 1.12   0.000% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.41 +/- 1.57   0.000% *  0.0057% (0.08   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 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.829, support = 6.1, residual support = 145.2:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.49 +/- 0.07  43.735% * 60.0127% (1.00  10.0 10.00   6.21 151.95) =  57.230%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.40 +/- 0.06  54.371% * 36.0742% (0.60  10.0 10.00   5.95 136.15) =  42.768%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.16 +/- 0.27   0.585% *  0.0374% (0.62   1.0  1.00   0.02  21.98) =   0.000%
          HB    ILE  103 - HG3   LYS+ 106   5.63 +/- 1.18   0.535% *  0.0361% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+ 102   5.97 +/- 0.95   0.483% *  0.0282% (0.47   1.0  1.00   0.02  22.38) =   0.000%
          HB3   GLN   30 - HG3   LYS+  33   6.85 +/- 1.29   0.233% *  0.0150% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.33 +/- 0.86   0.006% *  0.2820% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65  10.11 +/- 1.48   0.015% *  0.0478% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.06 +/- 1.47   0.015% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  17.61 +/- 1.64   0.000% *  0.5182% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  15.94 +/- 1.50   0.001% *  0.2981% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  17.92 +/- 0.79   0.000% *  0.5677% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  18.08 +/- 1.08   0.000% *  0.4902% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  12.06 +/- 1.27   0.005% *  0.0292% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.31 +/- 0.51   0.000% *  0.3814% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.46 +/- 1.84   0.002% *  0.0293% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  12.84 +/- 1.81   0.003% *  0.0123% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  16.93 +/- 2.05   0.001% *  0.0554% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  17.07 +/- 2.34   0.001% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.27 +/- 1.74   0.003% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  16.06 +/- 1.17   0.001% *  0.0378% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  17.83 +/- 1.58   0.000% *  0.0508% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  15.64 +/- 1.67   0.001% *  0.0216% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  21.47 +/- 3.62   0.001% *  0.0275% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.13 +/- 0.83   0.000% *  0.0568% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.39 +/- 1.34   0.000% *  0.0588% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  18.83 +/- 0.94   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  20.06 +/- 1.96   0.000% *  0.0352% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.75 +/- 1.14   0.001% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  21.48 +/- 1.42   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.48 +/- 2.33   0.000% *  0.0490% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.65 +/- 1.00   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  18.36 +/- 1.01   0.000% *  0.0157% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  18.21 +/- 1.37   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.09 +/- 0.63   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  17.10 +/- 1.76   0.001% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  22.07 +/- 1.11   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  21.64 +/- 1.31   0.000% *  0.0213% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  24.80 +/- 1.00   0.000% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  23.11 +/- 1.82   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.08 +/- 1.07   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  23.67 +/- 1.80   0.000% *  0.0295% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  26.25 +/- 1.19   0.000% *  0.0595% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  25.94 +/- 1.56   0.000% *  0.0514% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  21.23 +/- 1.90   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  21.62 +/- 3.03   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  23.97 +/- 2.85   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  25.87 +/- 1.56   0.000% *  0.0340% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  28.90 +/- 2.69   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  24.95 +/- 2.24   0.000% *  0.0169% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  22.38 +/- 1.56   0.000% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  30.85 +/- 2.23   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.30 +/- 1.66   0.000% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  27.49 +/- 0.99   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.37 +/- 1.30   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.69 +/- 1.40   0.000% *  0.0074% (0.12   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 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 = 152.0:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.39 +/- 0.16  99.933% * 94.8130% (1.00  10.0 10.00   4.55 151.95) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  65   9.79 +/- 1.50   0.042% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 106  14.11 +/- 1.36   0.003% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  16.63 +/- 2.17   0.001% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  17.34 +/- 1.65   0.001% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  11.95 +/- 1.65   0.009% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.19 +/- 0.83   0.000% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  14.44 +/- 1.47   0.003% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  24.12 +/- 1.65   0.000% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  16.24 +/- 1.42   0.001% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  24.08 +/- 2.28   0.000% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  16.97 +/- 1.00   0.001% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  17.21 +/- 1.12   0.001% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  16.38 +/- 1.08   0.001% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  20.59 +/- 1.53   0.000% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  17.80 +/- 2.29   0.001% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.74 +/- 1.24   0.000% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  21.68 +/- 2.65   0.000% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  24.45 +/- 3.37   0.000% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  22.97 +/- 2.18   0.000% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.35 +/- 2.11   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.47 +/- 1.36   0.000% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  29.49 +/- 2.79   0.000% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  31.30 +/- 2.76   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 0.06 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.893, support = 4.8, residual support = 157.1:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.65 +/- 0.59  45.888% * 54.6859% (1.00  10.0 10.00   5.27 151.95) =  52.357%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.54 +/- 0.47  53.916% * 42.3520% (0.77  10.0 10.00   4.29 162.70) =  47.642%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.14 +/- 0.48   0.138% *  0.0187% (0.34   1.0  1.00   0.02   1.20) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.38 +/- 1.75   0.028% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  16.84 +/- 2.59   0.002% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.33 +/- 2.14   0.001% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.32 +/- 1.73   0.001% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.29 +/- 0.73   0.000% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.34 +/- 1.06   0.000% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.28 +/- 0.85   0.003% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  12.43 +/- 1.95   0.006% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.57 +/- 3.26   0.000% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.77 +/- 1.92   0.005% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  19.84 +/- 1.31   0.000% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  19.45 +/- 1.27   0.000% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.74 +/- 1.41   0.004% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  16.56 +/- 2.23   0.001% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  20.31 +/- 0.76   0.000% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.53 +/- 1.33   0.000% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.28 +/- 1.97   0.001% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  18.03 +/- 3.44   0.003% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.59 +/- 0.79   0.000% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.29 +/- 1.29   0.000% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.31 +/- 1.46   0.000% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  25.79 +/- 1.56   0.000% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.72 +/- 1.30   0.000% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  24.05 +/- 1.37   0.000% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.54 +/- 1.12   0.000% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  25.19 +/- 0.93   0.000% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.13 +/- 1.15   0.000% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  23.95 +/- 1.56   0.000% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  28.70 +/- 1.64   0.000% *  0.0176% (0.32   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 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 150.5:
    *   T HA    LYS+  33 - QD    LYS+  33   3.77 +/- 0.41  78.844% * 87.2296% (1.00 10.00   4.79 151.95) =  99.014%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.95 +/- 1.40   6.789% *  9.9823% (0.97 10.00   0.24   0.02) =   0.976%  kept
        T HA    GLN   32 - QD    LYS+  33   7.16 +/- 0.61   1.850% *  0.2425% (0.28 10.00   0.02  11.65) =   0.006%
          HB2   SER   37 - QD    LYS+  33   5.97 +/- 1.28  11.712% *  0.0194% (0.22  1.00   0.02   0.02) =   0.003%
          HA    VAL   70 - QD    LYS+  33   9.40 +/- 1.32   0.492% *  0.0757% (0.87  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QD    LYS+  33  11.10 +/- 1.13   0.180% *  0.0825% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   LYS+ 111  11.88 +/- 0.64   0.089% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  18.88 +/- 1.81   0.007% *  0.0782% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  16.08 +/- 1.25   0.017% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  32.47 +/- 0.97   0.000% *  0.7544% (0.86 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  18.98 +/- 1.63   0.006% *  0.0241% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  22.74 +/- 1.53   0.002% *  0.0757% (0.87  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  33.26 +/- 1.16   0.000% *  0.7817% (0.90 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  21.91 +/- 1.39   0.002% *  0.0411% (0.47  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  22.88 +/- 1.49   0.002% *  0.0459% (0.53  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  24.32 +/- 1.12   0.001% *  0.0739% (0.85  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  25.27 +/- 1.41   0.001% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  22.62 +/- 1.03   0.002% *  0.0269% (0.31  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.87 +/- 1.18   0.000% *  0.2173% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  27.63 +/- 1.17   0.001% *  0.0701% (0.80  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  25.88 +/- 1.29   0.001% *  0.0135% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  31.95 +/- 1.55   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 = 5.07, residual support = 152.0:
    * O T QB    LYS+  33 - QD    LYS+  33   2.17 +/- 0.12  99.656% * 94.1852% (1.00  10.0 10.00   5.07 151.95) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   6.41 +/- 1.00   0.301% *  0.0235% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  15.03 +/- 1.95   0.002% *  0.8694% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  12.00 +/- 2.83   0.011% *  0.0478% (0.51   1.0  1.00   0.02   2.10) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  11.47 +/- 1.02   0.006% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  17.56 +/- 1.96   0.001% *  0.8145% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.54 +/- 0.87   0.010% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  14.65 +/- 1.12   0.001% *  0.0827% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  11.73 +/- 1.68   0.006% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  12.81 +/- 1.36   0.003% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  18.39 +/- 1.19   0.000% *  0.2105% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  25.47 +/- 2.45   0.000% *  0.9090% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  17.58 +/- 1.84   0.001% *  0.0837% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  16.96 +/- 0.88   0.000% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  21.79 +/- 2.68   0.000% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  26.59 +/- 2.83   0.000% *  0.7791% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  17.71 +/- 0.94   0.000% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.40 +/- 1.25   0.000% *  0.0923% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  19.17 +/- 1.72   0.000% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  19.32 +/- 1.24   0.000% *  0.0909% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  28.68 +/- 1.11   0.000% *  0.8440% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  22.86 +/- 1.09   0.000% *  0.0815% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  23.89 +/- 1.58   0.000% *  0.0934% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  23.16 +/- 1.40   0.000% *  0.0533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.94 +/- 1.03   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  27.19 +/- 1.14   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  27.78 +/- 1.05   0.000% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  30.87 +/- 1.46   0.000% *  0.0347% (0.37   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 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 152.0:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.39 +/- 0.16  99.750% * 93.1714% (1.00  10.0 10.00   4.55 151.95) = 100.000%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.96 +/- 0.76   0.096% *  0.0749% (0.80   1.0  1.00   0.02  27.98) =   0.000%
          QB    ALA   12 - QD    LYS+  33  10.19 +/- 2.29   0.051% *  0.0746% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  33   9.76 +/- 1.14   0.032% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  10.28 +/- 1.14   0.022% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  14.11 +/- 1.36   0.003% *  0.6686% (0.72   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  16.63 +/- 2.17   0.001% *  0.9235% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  17.34 +/- 1.65   0.001% *  0.8814% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  14.81 +/- 2.75   0.003% *  0.2082% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.17 +/- 0.67   0.011% *  0.0490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.19 +/- 0.83   0.000% *  0.7461% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  10.96 +/- 1.19   0.014% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.60 +/- 1.39   0.004% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  24.08 +/- 2.28   0.000% *  0.7898% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  24.12 +/- 1.65   0.000% *  0.8275% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.02 +/- 1.23   0.005% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  15.83 +/- 1.49   0.002% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  16.91 +/- 1.04   0.001% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  21.51 +/- 1.27   0.000% *  0.0828% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.74 +/- 1.24   0.000% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.68 +/- 1.10   0.000% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.43 +/- 0.96   0.001% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  23.92 +/- 1.30   0.000% *  0.0806% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  20.99 +/- 2.25   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.99 +/- 1.48   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  27.54 +/- 1.76   0.000% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.74 +/- 1.82   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  23.35 +/- 1.15   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  25.00 +/- 1.73   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  33.23 +/- 1.49   0.000% *  0.0669% (0.72   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 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 = 4.25, residual support = 152.0:
    * O T QE    LYS+  33 - QD    LYS+  33   2.10 +/- 0.03  99.949% * 96.5704% (1.00  10.0 10.00   4.25 151.95) = 100.000%  kept
          HB2   ASN   28 - QD    LYS+  33   9.83 +/- 1.29   0.014% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  33   8.22 +/- 0.40   0.029% *  0.0329% (0.34   1.0  1.00   0.02   1.20) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  15.64 +/- 2.07   0.001% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  11.37 +/- 1.62   0.006% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  17.31 +/- 1.24   0.000% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  22.46 +/- 1.48   0.000% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  17.42 +/- 1.15   0.000% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.21 +/- 1.31   0.000% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  24.44 +/- 1.29   0.000% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.11 +/- 1.30   0.000% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.21 +/- 1.41   0.000% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.82 +/- 1.74   0.000% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.77 +/- 1.10   0.000% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  31.56 +/- 1.46   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  28.42 +/- 1.73   0.000% *  0.0134% (0.14   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 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.992, support = 5.41, residual support = 150.4:
    *   T HA    LYS+  33 - QE    LYS+  33   3.90 +/- 0.88  65.014% * 76.3050% (1.00 10.00   5.44 151.95) =  98.936%  kept
        T HA    GLN   32 - QE    LYS+  33   6.98 +/- 1.37   2.186% * 21.2156% (0.28 10.00   3.32  11.65) =   0.925%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.93 +/- 1.75   8.812% *  0.7364% (0.97 10.00   0.02   0.02) =   0.129%
          HB2   SER   37 - QE    LYS+  33   6.05 +/- 1.62  16.756% *  0.0170% (0.22  1.00   0.02   0.02) =   0.006%
          HA    VAL   18 - QE    LYS+  65   7.87 +/- 1.43   2.768% *  0.0371% (0.49  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - QE    LYS+  33   9.63 +/- 1.72   0.647% *  0.0662% (0.87  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QE    LYS+  33  11.44 +/- 1.51   0.252% *  0.0722% (0.95  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASP-  76   7.60 +/- 1.19   3.011% *  0.0060% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  65  12.61 +/- 1.26   0.090% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  20.32 +/- 1.98   0.005% *  0.3923% (0.51 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  13.66 +/- 1.08   0.058% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  11.15 +/- 0.57   0.169% *  0.0102% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  17.09 +/- 0.78   0.013% *  0.1098% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  21.78 +/- 1.71   0.003% *  0.3786% (0.50 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  13.42 +/- 0.84   0.056% *  0.0108% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  18.94 +/- 1.55   0.008% *  0.0684% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  21.41 +/- 0.90   0.003% *  0.1138% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.40 +/- 1.81   0.003% *  0.1091% (0.14 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  18.11 +/- 2.04   0.012% *  0.0206% (0.27  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  22.94 +/- 1.67   0.003% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  20.70 +/- 0.75   0.004% *  0.0316% (0.04 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  13.24 +/- 0.96   0.062% *  0.0018% (0.02  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.80 +/- 0.62   0.029% *  0.0035% (0.05  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  23.09 +/- 1.66   0.003% *  0.0401% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.00 +/- 1.86   0.011% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.69 +/- 0.70   0.002% *  0.0236% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.42 +/- 1.13   0.009% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  25.59 +/- 1.21   0.001% *  0.0352% (0.46  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  20.70 +/- 0.65   0.004% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  22.27 +/- 1.41   0.003% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  25.46 +/- 1.26   0.001% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.10 +/- 1.19   0.001% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  23.84 +/- 0.98   0.002% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.21 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 152.0:
    *   T QB    LYS+  33 - QE    LYS+  33   2.75 +/- 0.62  97.606% * 97.9499% (1.00 10.00   5.65 151.95) =  99.999%  kept
          HB3   GLN   30 - QE    LYS+  33   6.60 +/- 1.21   1.713% *  0.0244% (0.25  1.00   0.02   0.17) =   0.000%
          HG3   PRO   68 - QE    LYS+  65  10.27 +/- 1.57   0.168% *  0.0465% (0.47  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  10.51 +/- 1.23   0.087% *  0.0403% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   8.58 +/- 0.54   0.223% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  16.57 +/- 1.84   0.005% *  0.5035% (0.51 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  15.19 +/- 2.31   0.010% *  0.0904% (0.92  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  14.98 +/- 2.87   0.043% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.40 +/- 1.66   0.017% *  0.0285% (0.29  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  15.00 +/- 1.88   0.009% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  17.27 +/- 0.93   0.003% *  0.1461% (0.15 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  12.51 +/- 1.70   0.026% *  0.0145% (0.15  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  17.07 +/- 0.75   0.003% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  17.73 +/- 0.73   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  13.20 +/- 1.80   0.016% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  18.54 +/- 1.29   0.002% *  0.0960% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.52 +/- 1.31   0.003% *  0.0494% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  17.36 +/- 1.01   0.003% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  19.40 +/- 1.16   0.001% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.46 +/- 2.38   0.002% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.18 +/- 0.72   0.004% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  14.51 +/- 2.00   0.019% *  0.0023% (0.02  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  17.16 +/- 1.59   0.003% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  13.56 +/- 0.86   0.012% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  16.69 +/- 1.49   0.004% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  24.03 +/- 1.31   0.000% *  0.0971% (0.99  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  22.53 +/- 1.13   0.001% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  25.68 +/- 2.52   0.000% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.41 +/- 1.53   0.000% *  0.0555% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  20.73 +/- 1.53   0.001% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  23.81 +/- 1.76   0.000% *  0.0499% (0.51  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  19.22 +/- 1.54   0.002% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  22.01 +/- 2.75   0.001% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.21 +/- 1.21   0.005% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  21.59 +/- 0.76   0.001% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  21.98 +/- 0.98   0.001% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  20.59 +/- 1.58   0.001% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  25.11 +/- 1.02   0.000% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  27.40 +/- 0.88   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  25.38 +/- 1.35   0.000% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  26.87 +/- 0.77   0.000% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.52 +/- 1.70   0.000% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 0.816, support = 4.9, residual support = 156.0:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.65 +/- 0.59  45.296% * 63.8684% (1.00  10.0 10.00   5.27 151.95) =  62.517%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.54 +/- 0.47  53.299% * 32.5421% (0.51  10.0 10.00   4.29 162.70) =  37.482%  kept
          QB    ALA   12 - QE    LYS+  33  10.36 +/- 2.36   0.422% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  33  10.09 +/- 1.12   0.027% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  16.84 +/- 2.59   0.002% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  33  10.56 +/- 1.27   0.016% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.34 +/- 1.10   0.631% *  0.0015% (0.02   1.0  1.00   0.02   2.50) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   6.89 +/- 0.89   0.167% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  17.32 +/- 1.73   0.001% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.22 +/- 0.54   0.007% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  18.33 +/- 2.14   0.001% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.60 +/- 0.57   0.077% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  12.44 +/- 1.13   0.005% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76   9.98 +/- 0.65   0.017% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  19.29 +/- 0.73   0.000% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  13.54 +/- 1.47   0.003% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  13.74 +/- 1.80   0.003% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  11.87 +/- 1.38   0.008% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  20.34 +/- 1.06   0.000% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  24.57 +/- 3.26   0.000% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.88 +/- 1.54   0.003% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.11 +/- 0.97   0.003% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  17.36 +/- 2.26   0.001% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  19.45 +/- 1.27   0.000% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  19.84 +/- 1.31   0.000% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  20.31 +/- 0.76   0.000% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  17.40 +/- 1.52   0.001% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  15.98 +/- 1.11   0.001% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  15.71 +/- 1.30   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  17.01 +/- 0.94   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  15.84 +/- 0.82   0.001% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  18.03 +/- 2.04   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  14.21 +/- 1.17   0.002% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  25.79 +/- 1.56   0.000% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  21.09 +/- 2.46   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  17.44 +/- 0.95   0.001% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  18.89 +/- 1.14   0.000% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  18.83 +/- 2.00   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  27.71 +/- 1.87   0.000% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  22.18 +/- 1.33   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  21.73 +/- 1.91   0.000% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  20.56 +/- 1.74   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  22.85 +/- 1.76   0.000% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  18.02 +/- 1.46   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  25.12 +/- 0.96   0.000% *  0.0024% (0.04   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 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 152.0:
    * O T QD    LYS+  33 - QE    LYS+  33   2.10 +/- 0.03  99.884% * 97.4730% (1.00  10.0 10.00   4.25 151.95) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   8.69 +/- 1.30   0.034% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  15.64 +/- 2.07   0.001% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   8.19 +/- 1.22   0.054% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.14 +/- 1.61   0.008% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  14.26 +/- 1.43   0.001% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.02 +/- 1.64   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  11.93 +/- 1.53   0.004% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  17.31 +/- 1.24   0.000% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  15.25 +/- 2.80   0.012% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  22.46 +/- 1.48   0.000% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.27 +/- 1.64   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.21 +/- 1.31   0.000% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  22.49 +/- 3.22   0.000% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  15.64 +/- 1.66   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  24.44 +/- 1.29   0.000% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  26.22 +/- 2.62   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  27.91 +/- 1.43   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 25.9:
    * O T QB    ALA   34 - HA    ALA   34   2.12 +/- 0.02  94.628% * 99.3602% (0.80  10.0 10.00   1.93  25.88) =  99.998%  kept
          QG2   THR   39 - HA    ALA   34   3.98 +/- 0.54   5.292% *  0.0308% (0.25   1.0  1.00   0.02   9.34) =   0.002%
          HG3   LYS+  38 - HA    ALA   34   7.11 +/- 0.51   0.075% *  0.0583% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  17.67 +/- 2.89   0.001% *  0.2281% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA   34  15.23 +/- 1.00   0.001% *  0.1098% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  14.69 +/- 3.17   0.003% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  19.90 +/- 2.04   0.000% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  17.65 +/- 1.07   0.000% *  0.0185% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  18.44 +/- 0.41   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  20.83 +/- 4.17   0.000% *  0.0134% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  22.70 +/- 0.92   0.000% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  28.31 +/- 2.57   0.000% *  0.0252% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  25.16 +/- 1.79   0.000% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  24.38 +/- 0.96   0.000% *  0.0057% (0.05   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 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.9:
    * O T HA    ALA   34 - QB    ALA   34   2.12 +/- 0.02  99.570% * 98.8230% (0.80  10.0 10.00   1.93  25.88) = 100.000%  kept
          HA1   GLY  101 - QB    ALA   34   7.35 +/- 1.84   0.234% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    ALA   34   6.99 +/- 0.29   0.080% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   34   6.68 +/- 0.02   0.103% *  0.0170% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  17.67 +/- 2.89   0.001% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.56 +/- 0.32   0.012% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  16.85 +/- 0.80   0.000% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  19.37 +/- 0.62   0.000% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  21.14 +/- 1.64   0.000% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  17.47 +/- 0.49   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 = 4.03, residual support = 55.5:
    * O T HB2   ASN   35 - HA    ASN   35   2.75 +/- 0.05  98.939% * 98.4270% (1.00  10.0 10.00   4.03  55.46) = 100.000%  kept
        T HB2   ASN   35 - HA    LEU   40   9.32 +/- 0.59   0.071% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   35   8.28 +/- 0.87   0.175% *  0.0336% (0.34   1.0  1.00   0.02   1.20) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  12.71 +/- 0.34   0.011% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15   9.06 +/- 2.23   0.640% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15   9.68 +/- 1.53   0.086% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.32 +/- 1.07   0.045% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  15.40 +/- 0.38   0.003% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  17.24 +/- 1.84   0.002% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  18.19 +/- 1.39   0.001% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  18.47 +/- 0.78   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.84 +/- 0.94   0.011% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  17.45 +/- 0.85   0.002% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.89 +/- 1.23   0.002% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.82 +/- 1.43   0.003% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  21.67 +/- 1.56   0.000% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  14.40 +/- 1.30   0.006% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  17.34 +/- 1.11   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  21.66 +/- 1.47   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  23.45 +/- 1.05   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  21.92 +/- 1.00   0.000% *  0.0025% (0.03   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 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 = 5.58, residual support = 86.7:
    * O T QB    GLU-  36 - HA    GLU-  36   2.31 +/- 0.18  99.943% * 98.9106% (1.00  10.0 10.00   5.58  86.74) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.01 +/- 0.86   0.006% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36   9.46 +/- 1.77   0.048% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  13.70 +/- 0.60   0.003% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  25.49 +/- 0.94   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  31.35 +/- 0.78   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   3.11 +/- 0.81  99.995% * 99.8378% (1.00  10.0 10.00   3.62  86.74) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  19.65 +/- 1.05   0.003% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  21.73 +/- 0.94   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  27.09 +/- 1.07   0.000% *  0.0525% (0.53   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 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   3.48 +/- 0.12  99.983% * 99.2256% (1.00  10.0 10.00   3.62  86.74) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  17.96 +/- 3.62   0.011% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  18.70 +/- 0.70   0.004% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  25.66 +/- 1.04   0.001% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  26.99 +/- 1.09   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  33.15 +/- 1.19   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  34.71 +/- 1.45   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   3.11 +/- 0.81  99.995% * 99.7630% (1.00  10.0 10.00   3.62  86.74) = 100.000%  kept
          HA    ALA  124 - HG2   GLU-  36  26.08 +/- 4.79   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  26.42 +/- 1.14   0.001% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  22.58 +/- 2.68   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  31.79 +/- 3.00   0.000% *  0.0525% (0.53   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 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 +/- 0.06  99.952% * 98.9106% (1.00  10.0 10.00   4.29  86.74) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  10.55 +/- 1.08   0.020% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  10.91 +/- 1.47   0.021% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  12.40 +/- 0.84   0.007% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  24.16 +/- 1.66   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  30.81 +/- 1.09   0.000% *  0.0679% (0.69   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 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  16.41 +/- 3.83   0.000% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  17.59 +/- 0.79   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  24.31 +/- 1.29   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  26.89 +/- 1.90   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  32.50 +/- 1.96   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  33.79 +/- 2.41   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   3.48 +/- 0.12  99.981% * 99.6097% (1.00  10.0 10.00   3.62  86.74) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  17.96 +/- 3.62   0.011% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  26.71 +/- 4.88   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  26.98 +/- 0.69   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  23.09 +/- 2.42   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  20.15 +/- 2.40   0.004% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  32.41 +/- 2.26   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  26.96 +/- 3.94   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  31.89 +/- 2.02   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  30.70 +/- 2.37   0.000% *  0.0065% (0.07   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 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   2.30 +/- 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  10.67 +/- 1.11   0.012% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  12.46 +/- 0.99   0.004% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  11.76 +/- 1.67   0.010% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  14.95 +/- 3.06   0.003% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  24.58 +/- 0.92   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  18.93 +/- 3.06   0.001% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  27.47 +/- 2.11   0.000% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  20.63 +/- 2.92   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  31.50 +/- 0.88   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  35.72 +/- 2.13   0.000% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  22.37 +/- 2.82   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.7:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.999% * 99.6937% (1.00  10.0 10.00   3.00  86.74) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  16.41 +/- 3.83   0.000% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  20.64 +/- 1.18   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  26.68 +/- 2.02   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  22.33 +/- 0.91   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  24.58 +/- 1.85   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  28.34 +/- 2.21   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  30.92 +/- 2.40   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 = 26.9:
    * O T HB2   SER   37 - HA    SER   37   2.81 +/- 0.15  98.932% * 98.0025% (1.00  10.0 10.00   2.58  26.90) = 100.000%  kept
          HA    LYS+  33 - HA    SER   37   6.27 +/- 0.31   0.903% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    SER   13  13.04 +/- 2.49   0.020% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13  10.11 +/- 1.01   0.058% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   37  10.41 +/- 0.83   0.049% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  15.08 +/- 2.66   0.010% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  13.91 +/- 1.88   0.011% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  15.14 +/- 1.55   0.005% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.68 +/- 0.77   0.000% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  14.98 +/- 2.66   0.009% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  19.29 +/- 1.05   0.001% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  19.26 +/- 0.57   0.001% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  26.54 +/- 2.10   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.01 +/- 0.68   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  26.95 +/- 1.76   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.586, support = 2.25, residual support = 16.9:
      O T QB    SER   13 - HA    SER   13   2.42 +/- 0.15  71.265% * 28.4793% (0.35  10.0 10.00   1.93   7.24) =  50.947%  kept
    * O T HB3   SER   37 - HA    SER   37   2.86 +/- 0.21  28.396% * 68.8149% (0.84  10.0 10.00   2.58  26.90) =  49.052%  kept
          HB    THR   39 - HA    SER   37   6.29 +/- 0.48   0.284% *  0.0566% (0.69   1.0  1.00   0.02   2.67) =   0.000%
        T QB    SER   13 - HA    SER   37  13.60 +/- 3.22   0.006% *  0.5330% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  13.05 +/- 2.62   0.006% *  0.3677% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.09 +/- 0.91   0.034% *  0.0682% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  13.77 +/- 1.41   0.003% *  0.0815% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  13.72 +/- 2.27   0.005% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.70 +/- 1.21   0.000% *  0.5281% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.55 +/- 0.68   0.000% *  0.6818% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.83 +/- 0.57   0.001% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.10 +/- 0.56   0.000% *  0.0561% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.30 +/- 1.12   0.000% *  0.0822% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.75 +/- 0.41   0.000% *  0.0688% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  26.85 +/- 1.77   0.000% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.52 +/- 0.98   0.000% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.92 +/- 1.71   0.000% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.39 +/- 2.05   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 = 26.9:
    * O T HA    SER   37 - HB2   SER   37   2.81 +/- 0.15  99.711% * 98.1694% (1.00  10.0 10.00   2.58  26.90) = 100.000%  kept
        T HA    SER   13 - HB2   SER   37  13.04 +/- 2.49   0.020% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   SER   37   8.06 +/- 0.29   0.205% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   SER   37  11.44 +/- 1.82   0.045% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  12.84 +/- 0.56   0.013% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  15.34 +/- 1.84   0.006% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.68 +/- 0.77   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  23.97 +/- 1.23   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 = 26.9:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  98.124% * 98.8953% (0.84  10.0 10.00   2.00  26.90) =  99.998%  kept
          HB    THR   39 - HB2   SER   37   3.83 +/- 0.65   1.874% *  0.0813% (0.69   1.0  1.00   0.02   2.67) =   0.002%
        T QB    SER   13 - HB2   SER   37  12.25 +/- 2.91   0.002% *  0.7659% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  22.07 +/- 1.13   0.000% *  0.1181% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  25.85 +/- 0.62   0.000% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  24.28 +/- 0.94   0.000% *  0.0404% (0.34   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 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.589, support = 2.24, residual support = 16.7:
      O T HA    SER   13 - QB    SER   13   2.42 +/- 0.15  71.270% * 29.4827% (0.36  10.0 10.00   1.93   7.24) =  52.088%  kept
    * O T HA    SER   37 - HB3   SER   37   2.86 +/- 0.21  28.401% * 68.0513% (0.84  10.0 10.00   2.58  26.90) =  47.911%  kept
          HA    GLU-  15 - QB    SER   13   6.75 +/- 0.84   0.248% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  13.60 +/- 3.22   0.006% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.05 +/- 2.62   0.006% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.66 +/- 0.52   0.039% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.62 +/- 1.05   0.013% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.56 +/- 1.86   0.010% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  13.04 +/- 0.53   0.003% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.66 +/- 1.69   0.001% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.70 +/- 1.21   0.000% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.55 +/- 0.68   0.000% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.68 +/- 2.20   0.001% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  17.86 +/- 1.57   0.001% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.86 +/- 1.35   0.000% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.36 +/- 1.17   0.000% *  0.0358% (0.44   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 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.9:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.663% * 98.1382% (0.84  10.0 10.00   2.00  26.90) = 100.000%  kept
          HA    LYS+  33 - HB3   SER   37   4.77 +/- 0.61   0.315% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   37   8.71 +/- 0.67   0.008% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  12.25 +/- 2.91   0.002% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   8.87 +/- 1.10   0.009% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  12.74 +/- 1.93   0.001% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  13.08 +/- 2.55   0.001% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  14.33 +/- 2.88   0.001% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  24.86 +/- 2.04   0.000% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  24.04 +/- 1.67   0.000% *  0.0366% (0.31   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 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 = 6.58, residual support = 218.5:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.92 +/- 0.14  98.972% * 99.6880% (1.00  10.0 10.00   6.58 218.54) =  99.999%  kept
        T HB2   LYS+  38 - HA    GLU- 100   7.09 +/- 1.22   0.932% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    LYS+  38  11.30 +/- 1.02   0.039% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.29 +/- 0.57   0.008% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  16.19 +/- 0.53   0.004% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.65 +/- 1.67   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.17 +/- 1.38   0.031% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.82 +/- 0.44   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  16.97 +/- 1.49   0.003% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  15.45 +/- 1.37   0.005% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  29.00 +/- 0.64   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  19.29 +/- 1.74   0.001% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.03 +/- 1.43   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  26.51 +/- 1.01   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 218.5:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.69 +/- 0.10  97.676% * 98.2125% (1.00  10.0 10.00   5.89 218.54) =  99.999%  kept
        T HB3   LYS+  38 - HA    GLU- 100   6.06 +/- 1.17   2.054% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    LYS+  38   8.01 +/- 0.38   0.149% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  12.17 +/- 0.61   0.012% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  15.88 +/- 1.16   0.003% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.47 +/- 0.87   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  10.14 +/- 1.24   0.044% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  14.58 +/- 0.62   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  12.55 +/- 1.52   0.012% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.32 +/- 1.31   0.002% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  27.28 +/- 1.07   0.000% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.63 +/- 0.42   0.027% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.68 +/- 0.58   0.006% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.78 +/- 0.73   0.006% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  31.72 +/- 1.79   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  26.86 +/- 1.23   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  24.98 +/- 0.52   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  28.75 +/- 0.77   0.000% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  27.05 +/- 1.31   0.000% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  28.17 +/- 0.90   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  17.63 +/- 1.52   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.47 +/- 1.49   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  23.33 +/- 1.06   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  26.34 +/- 0.82   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  25.59 +/- 1.20   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  30.77 +/- 1.90   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 218.5:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.56 +/- 0.52  93.988% * 98.4430% (1.00  10.0 10.00   6.91 218.54) =  99.989%  kept
        T HG2   LYS+  99 - HA    LYS+  38   6.50 +/- 1.01   0.791% *  0.9649% (0.98   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  99 - HA    GLU- 100   4.77 +/- 0.47   3.811% *  0.0583% (0.06   1.0 10.00   0.02  39.37) =   0.002%
        T HG2   LYS+  38 - HA    GLU- 100   6.08 +/- 1.76   1.035% *  0.0595% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LYS+  38  10.11 +/- 0.34   0.044% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100   9.42 +/- 1.50   0.095% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  11.28 +/- 1.15   0.020% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  17.54 +/- 4.02   0.012% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.34 +/- 1.12   0.190% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  21.17 +/- 0.59   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  19.08 +/- 1.04   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  19.45 +/- 0.40   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  21.06 +/- 0.41   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  21.94 +/- 0.49   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  18.44 +/- 0.95   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  29.13 +/- 1.88   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  17.56 +/- 3.14   0.005% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  19.55 +/- 0.84   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  18.66 +/- 1.24   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.42 +/- 0.70   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  20.58 +/- 1.29   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  26.44 +/- 1.90   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 2 structures by 0.09 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 218.5:
    * O T HG3   LYS+  38 - HA    LYS+  38   2.79 +/- 0.58  79.198% * 98.9998% (1.00  10.0 10.00   6.64 218.54) =  99.986%  kept
          QB    ALA   34 - HA    LYS+  38   4.44 +/- 0.14   7.226% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          QG2   THR   39 - HA    LYS+  38   5.70 +/- 0.32   1.805% *  0.0888% (0.90   1.0  1.00   0.02  22.95) =   0.002%
        T HG3   LYS+  38 - HA    GLU- 100   5.79 +/- 1.92   2.373% *  0.0598% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - HA    LYS+  38   7.43 +/- 1.21   0.376% *  0.3716% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - HA    GLU- 100   5.44 +/- 0.59   3.304% *  0.0225% (0.02   1.0 10.00   0.02  39.37) =   0.001%
          QB    ALA   34 - HA    GLU- 100   5.02 +/- 1.08   5.308% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  38   9.69 +/- 1.76   0.107% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    GLU- 100   7.89 +/- 0.94   0.251% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  16.58 +/- 1.61   0.003% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  11.37 +/- 1.96   0.040% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  18.77 +/- 0.90   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  21.97 +/- 1.83   0.001% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  24.62 +/- 1.17   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  21.16 +/- 0.93   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  18.19 +/- 1.75   0.002% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  20.78 +/- 1.99   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  18.92 +/- 1.49   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  22.48 +/- 1.41   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  20.70 +/- 1.33   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 218.5:
    *   T QD    LYS+  38 - HA    LYS+  38   3.61 +/- 0.45  85.666% * 97.0123% (1.00 10.00   6.01 218.54) =  99.990%  kept
        T QD    LYS+  38 - HA    GLU- 100   5.61 +/- 1.51  13.102% *  0.0586% (0.06 10.00   0.02   0.02) =   0.009%
          QD    LYS+ 102 - HA    LYS+  38  11.54 +/- 1.78   0.116% *  0.0777% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    GLU- 100   7.94 +/- 1.02   1.058% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.19 +/- 1.08   0.004% *  0.8955% (0.92 10.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  20.63 +/- 0.91   0.003% *  0.9362% (0.97 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  20.69 +/- 0.85   0.003% *  0.3309% (0.34 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  18.18 +/- 1.86   0.009% *  0.0870% (0.90  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  18.84 +/- 1.64   0.007% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  21.30 +/- 3.05   0.004% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.35 +/- 1.39   0.003% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  30.18 +/- 1.10   0.000% *  0.2994% (0.31 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  16.41 +/- 1.46   0.015% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  20.33 +/- 0.89   0.003% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  27.35 +/- 0.72   0.001% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  20.68 +/- 2.35   0.004% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  28.11 +/- 0.51   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.60 +/- 1.07   0.001% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.34 +/- 0.43   0.001% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.78 +/- 0.62   0.001% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.19 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 218.5:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.92 +/- 0.14  99.065% * 99.6785% (1.00  10.0 10.00   6.58 218.54) =  99.998%  kept
        T HA    GLU- 100 - HB2   LYS+  38   7.09 +/- 1.22   0.933% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HB2   LYS+  38  21.25 +/- 0.33   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  23.67 +/- 0.61   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  29.29 +/- 1.36   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 218.5:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.994% * 98.9214% (1.00  10.0 10.00   5.31 218.54) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   9.11 +/- 0.46   0.005% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  14.34 +/- 0.57   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  15.51 +/- 1.34   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  18.62 +/- 0.86   0.000% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  17.00 +/- 0.61   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.12 +/- 1.33   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  30.87 +/- 0.88   0.000% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  28.62 +/- 1.23   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  27.37 +/- 0.46   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  28.45 +/- 1.18   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  31.16 +/- 0.72   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  33.51 +/- 1.84   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 = 5.95, residual support = 218.5:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.60 +/- 0.19  99.800% * 98.5858% (1.00  10.0 10.00   5.95 218.54) =  99.998%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   7.97 +/- 1.16   0.177% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB2   LYS+  38  12.72 +/- 0.36   0.008% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  17.35 +/- 4.30   0.008% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  13.89 +/- 1.07   0.006% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  20.34 +/- 1.13   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  23.51 +/- 0.59   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  21.48 +/- 0.40   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  23.16 +/- 0.40   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  24.53 +/- 0.45   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  31.13 +/- 1.87   0.000% *  0.0789% (0.80   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 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 218.5:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.78 +/- 0.37  97.708% * 99.1122% (1.00  10.0 10.00   5.66 218.54) =  99.998%  kept
          QG2   THR   39 - HB2   LYS+  38   5.97 +/- 0.49   1.349% *  0.0889% (0.90   1.0  1.00   0.02  22.95) =   0.001%
        T HG3   LYS+  99 - HB2   LYS+  38   8.79 +/- 1.32   0.159% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HB2   LYS+  38   6.52 +/- 0.13   0.736% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HB2   LYS+  38  11.06 +/- 1.65   0.044% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  17.70 +/- 1.68   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  20.47 +/- 0.91   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  23.50 +/- 1.77   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  26.75 +/- 1.17   0.000% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  23.13 +/- 1.04   0.000% *  0.0338% (0.34   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 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 218.5:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.69 +/- 0.10  97.939% * 99.5407% (1.00  10.0 10.00   5.89 218.54) =  99.995%  kept
        T HA    GLU- 100 - HB3   LYS+  38   6.06 +/- 1.17   2.060% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL   24 - HB3   LYS+  38  21.21 +/- 0.37   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  28.47 +/- 1.32   0.000% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  23.22 +/- 0.66   0.000% *  0.0197% (0.20   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 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 218.5:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.998% * 99.2933% (1.00  10.0 10.00   5.31 218.54) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  11.23 +/- 1.15   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.68 +/- 0.57   0.000% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  16.70 +/- 0.62   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  18.07 +/- 1.66   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  30.90 +/- 0.63   0.000% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.33 +/- 0.47   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 218.5:
    * O T HG2   LYS+  38 - HB3   LYS+  38   3.01 +/- 0.06  98.283% * 98.5858% (1.00  10.0 10.00   5.63 218.54) =  99.983%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   6.34 +/- 1.19   1.655% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.017%
          HB2   LEU   31 - HB3   LYS+  38  12.73 +/- 0.37   0.017% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  16.32 +/- 4.18   0.020% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  12.82 +/- 1.08   0.021% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  19.41 +/- 1.08   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  22.71 +/- 0.65   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.74 +/- 0.42   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  22.62 +/- 0.42   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  24.28 +/- 0.50   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  29.73 +/- 1.88   0.000% *  0.0789% (0.80   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 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 218.5:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.65 +/- 0.15  98.100% * 98.2829% (1.00  10.0 10.00   5.41 218.54) =  99.997%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   7.12 +/- 1.32   0.397% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HB3   LYS+  38   5.90 +/- 0.35   0.919% *  0.0881% (0.90   1.0  1.00   0.02  22.95) =   0.001%
          QB    ALA   34 - HB3   LYS+  38   6.34 +/- 0.15   0.551% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   LYS+  38  11.07 +/- 1.59   0.030% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  22.67 +/- 1.71   0.000% *  0.9297% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  17.88 +/- 1.69   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  20.70 +/- 0.91   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  25.95 +/- 1.26   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  22.71 +/- 1.03   0.000% *  0.0335% (0.34   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 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 218.5:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.25 +/- 0.16  99.989% * 98.0597% (1.00  10.0 10.00   4.63 218.54) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  12.30 +/- 1.97   0.009% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  20.21 +/- 1.14   0.000% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  17.91 +/- 1.98   0.001% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  22.11 +/- 0.89   0.000% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  20.45 +/- 3.20   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  22.95 +/- 0.94   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  30.70 +/- 1.22   0.000% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.41 +/- 0.74   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  29.42 +/- 0.56   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 = 218.5:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.56 +/- 0.52  94.314% * 99.3217% (1.00  10.0 10.00   6.91 218.54) =  99.993%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.77 +/- 0.47   3.846% *  0.0603% (0.06   1.0 10.00   0.02  39.37) =   0.002%
        T HA    GLU- 100 - HG2   LYS+  38   6.08 +/- 1.76   1.037% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HG2   LYS+  99   6.50 +/- 1.01   0.800% *  0.2707% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HG2   LYS+  38  20.62 +/- 0.57   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  19.98 +/- 0.55   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  22.76 +/- 1.12   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  20.42 +/- 0.93   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  30.04 +/- 1.33   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.98 +/- 1.44   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 218.5:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.60 +/- 0.19  99.731% * 99.4277% (1.00  10.0 10.00   5.95 218.54) = 100.000%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   7.97 +/- 1.16   0.177% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99   9.59 +/- 1.46   0.077% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.23 +/- 1.15   0.008% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  17.43 +/- 0.67   0.001% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.60 +/- 0.75   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  19.24 +/- 1.85   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.30 +/- 0.48   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  19.98 +/- 0.70   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.23 +/- 0.69   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  18.17 +/- 1.33   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  22.70 +/- 0.54   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  31.13 +/- 0.95   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  26.73 +/- 0.69   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 218.5:
    * O T HB3   LYS+  38 - HG2   LYS+  38   3.01 +/- 0.06  98.024% * 98.9095% (1.00  10.0 10.00   5.63 218.54) =  99.995%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   6.34 +/- 1.19   1.650% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.005%
          QB    LYS+  33 - HG2   LYS+  38   9.16 +/- 0.33   0.127% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  14.12 +/- 0.61   0.009% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.84 +/- 0.94   0.056% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.48 +/- 0.48   0.057% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.51 +/- 0.51   0.020% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  12.12 +/- 0.61   0.024% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  14.38 +/- 0.80   0.009% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.30 +/- 1.08   0.002% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  16.21 +/- 1.16   0.004% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  17.17 +/- 1.48   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  18.24 +/- 1.43   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  14.49 +/- 1.59   0.010% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.24 +/- 1.50   0.001% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  29.10 +/- 1.22   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  26.73 +/- 0.84   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  29.41 +/- 1.17   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  30.98 +/- 0.93   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  25.38 +/- 0.79   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  24.55 +/- 1.28   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  24.65 +/- 0.82   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  30.29 +/- 1.05   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  25.82 +/- 0.60   0.000% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  34.01 +/- 1.88   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  29.24 +/- 1.69   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 = 6.45, residual support = 214.2:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.955% * 89.3422% (1.00  10.0 10.00   6.44 218.54) =  90.721%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.955% *  9.1383% (0.10  10.0 10.00   6.59 171.80) =   9.279%  kept
        T HG3   LYS+  38 - HG2   LYS+  99   7.32 +/- 1.49   0.018% *  0.2435% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  38   6.37 +/- 0.32   0.023% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   8.82 +/- 1.26   0.004% *  0.3353% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   7.14 +/- 0.52   0.012% *  0.0801% (0.90   1.0  1.00   0.02  22.95) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   6.67 +/- 0.47   0.018% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   7.23 +/- 0.81   0.012% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.69 +/- 1.70   0.001% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  11.51 +/- 1.41   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  23.43 +/- 1.02   0.000% *  0.3048% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  18.47 +/- 1.61   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  20.30 +/- 1.26   0.000% *  0.0831% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  20.24 +/- 0.91   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  19.09 +/- 1.81   0.000% *  0.0230% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  23.85 +/- 1.83   0.000% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  18.18 +/- 1.59   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  26.45 +/- 1.20   0.000% *  0.0801% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  22.06 +/- 1.32   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  20.47 +/- 1.03   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 218.5:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.43 +/- 0.17  99.381% * 96.4250% (1.00  10.0 10.00   5.75 218.54) =  99.998%  kept
        T QD    LYS+  38 - HG2   LYS+  99   6.31 +/- 1.15   0.524% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   LYS+  99   8.79 +/- 1.44   0.072% *  0.2104% (0.22   1.0 10.00   0.02   1.51) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  12.42 +/- 2.31   0.010% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.81 +/- 1.33   0.000% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  12.66 +/- 1.74   0.008% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  19.26 +/- 1.28   0.001% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  22.97 +/- 0.93   0.000% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.71 +/- 0.96   0.000% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  19.98 +/- 1.94   0.000% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  16.56 +/- 2.58   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  22.64 +/- 1.13   0.000% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  22.87 +/- 3.25   0.000% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  20.38 +/- 1.28   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  25.13 +/- 1.09   0.000% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  32.24 +/- 1.20   0.000% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  23.66 +/- 0.58   0.000% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  29.61 +/- 0.86   0.000% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.61 +/- 0.75   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  30.35 +/- 0.63   0.000% *  0.0215% (0.22   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 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 218.5:
    * O T HA    LYS+  38 - HG3   LYS+  38   2.79 +/- 0.58  92.688% * 99.5416% (1.00  10.0 10.00   6.64 218.54) =  99.992%  kept
        T HA    GLU- 100 - HG3   LYS+  38   5.79 +/- 1.92   2.691% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLU- 100 - HG3   LYS+  99   5.44 +/- 0.59   4.122% *  0.0231% (0.02   1.0 10.00   0.02  39.37) =   0.001%
        T HA    LYS+  38 - HG3   LYS+  99   7.43 +/- 1.21   0.496% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  21.03 +/- 0.66   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  22.97 +/- 0.99   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  20.67 +/- 0.87   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  20.83 +/- 0.99   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  29.79 +/- 1.43   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  25.19 +/- 1.36   0.000% *  0.0016% (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 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 218.5:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.78 +/- 0.37  99.705% * 99.6340% (1.00  10.0 10.00   5.66 218.54) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   8.79 +/- 1.32   0.164% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  12.88 +/- 1.39   0.019% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  10.15 +/- 1.71   0.102% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  18.17 +/- 0.47   0.002% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.33 +/- 0.62   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  19.32 +/- 1.97   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.95 +/- 0.63   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  20.88 +/- 0.99   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  19.18 +/- 1.09   0.001% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  18.80 +/- 1.48   0.002% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  31.10 +/- 0.86   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  23.55 +/- 0.91   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  26.90 +/- 0.80   0.000% *  0.0055% (0.05   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 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 218.5:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.65 +/- 0.15  99.445% * 98.2474% (1.00  10.0 10.00   5.41 218.54) = 100.000%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   7.12 +/- 1.32   0.404% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  38   9.83 +/- 0.43   0.041% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  14.58 +/- 0.84   0.004% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.49 +/- 0.96   0.035% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.21 +/- 0.61   0.036% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.38 +/- 0.60   0.011% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  17.93 +/- 1.20   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  28.77 +/- 1.48   0.000% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  15.74 +/- 1.26   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  16.84 +/- 1.67   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  17.61 +/- 1.63   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  13.05 +/- 0.96   0.008% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  15.27 +/- 1.10   0.003% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  23.31 +/- 1.09   0.000% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  14.87 +/- 2.05   0.005% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  26.96 +/- 0.76   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  29.13 +/- 1.30   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  30.75 +/- 1.20   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  30.24 +/- 1.22   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  25.41 +/- 0.77   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  24.78 +/- 1.42   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  25.02 +/- 0.93   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  33.83 +/- 1.72   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  25.97 +/- 0.65   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  29.50 +/- 1.39   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 = 6.45, residual support = 214.2:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.985% * 89.3736% (1.00  10.0 10.00   6.44 218.54) =  90.720%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.985% *  9.1415% (0.10  10.0 10.00   6.59 171.80) =   9.279%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   7.32 +/- 1.49   0.018% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.82 +/- 1.26   0.004% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.23 +/- 0.75   0.000% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.96 +/- 0.85   0.005% *  0.0014% (0.02   1.0  1.00   0.02  17.04) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  17.82 +/- 4.20   0.000% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.12 +/- 1.47   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.32 +/- 0.93   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.83 +/- 3.00   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.68 +/- 0.98   0.000% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.88 +/- 1.31   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.77 +/- 1.66   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.66 +/- 0.92   0.000% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.96 +/- 0.88   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  24.24 +/- 0.71   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.29 +/- 1.23   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  18.84 +/- 1.01   0.000% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.73 +/- 1.10   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.65 +/- 2.21   0.000% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.95 +/- 0.81   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.67 +/- 0.84   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (1.26, 1.26, 25.69 ppm):
    2 diagonal assignments:
    *     HG3   LYS+  38 - HG3   LYS+  38  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.04)  kept
 
    Peak 376 (1.67, 1.26, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.42, residual support = 218.5:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.32 +/- 0.15  99.571% * 97.6899% (1.00  10.0 10.00   5.42 218.54) = 100.000%  kept
        T QD    LYS+  38 - HG3   LYS+  99   6.85 +/- 1.10   0.322% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  99   8.54 +/- 1.53   0.085% *  0.0816% (0.08   1.0 10.00   0.02   1.51) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  11.98 +/- 2.25   0.010% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  21.67 +/- 1.47   0.000% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  12.26 +/- 1.59   0.008% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  23.02 +/- 1.02   0.000% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  19.27 +/- 2.18   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  19.68 +/- 1.40   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  22.15 +/- 3.30   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  22.86 +/- 1.15   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  20.24 +/- 1.15   0.000% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  16.30 +/- 2.30   0.002% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  31.69 +/- 1.49   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.80 +/- 1.01   0.000% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  20.86 +/- 1.42   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.29 +/- 1.05   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.70 +/- 0.87   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  30.09 +/- 1.15   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.63 +/- 0.79   0.000% *  0.0023% (0.02   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 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 218.5:
    *   T HA    LYS+  38 - QD    LYS+  38   3.61 +/- 0.45  86.337% * 98.6212% (1.00 10.00   6.01 218.54) =  99.966%  kept
        T HA    GLU- 100 - QD    LYS+  38   5.61 +/- 1.51  13.176% *  0.2196% (0.22 10.00   0.02   0.02) =   0.034%
        T HD2   PRO   58 - HD2   LYS+  74  11.13 +/- 1.16   0.156% *  0.0334% (0.03 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  65  10.97 +/- 1.05   0.167% *  0.0278% (0.03 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  14.47 +/- 1.23   0.029% *  0.0428% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  12.42 +/- 1.06   0.079% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.19 +/- 1.08   0.004% *  0.1802% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  20.69 +/- 0.85   0.003% *  0.2163% (0.22 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  21.52 +/- 1.19   0.002% *  0.1952% (0.20 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  20.02 +/- 0.73   0.003% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  20.33 +/- 0.89   0.003% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.35 +/- 1.39   0.003% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  27.05 +/- 1.22   0.001% *  0.1522% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  23.81 +/- 0.73   0.001% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  21.20 +/- 1.20   0.003% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  15.22 +/- 2.34   0.030% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  30.18 +/- 1.10   0.000% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.60 +/- 1.07   0.001% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  27.09 +/- 1.08   0.001% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  23.76 +/- 1.31   0.002% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 4.94, residual support = 218.5:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.73 +/- 0.39  89.815% * 99.6020% (1.00  10.0   4.95 218.54) =  99.999%  kept
          QG    GLN   17 - QD    LYS+  65   4.87 +/- 1.02  10.054% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - QD    LYS+  38  11.81 +/- 1.02   0.023% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74  10.39 +/- 1.52   0.044% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.64 +/- 0.74   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.96 +/- 1.23   0.032% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  16.00 +/- 0.72   0.003% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  15.44 +/- 1.87   0.005% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  17.85 +/- 1.47   0.002% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  13.73 +/- 1.32   0.008% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  17.54 +/- 0.90   0.002% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  16.31 +/- 0.90   0.003% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  20.97 +/- 0.48   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.58 +/- 0.92   0.003% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.53 +/- 1.26   0.001% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  22.57 +/- 0.92   0.000% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  22.72 +/- 1.34   0.000% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  28.55 +/- 1.10   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  18.12 +/- 1.94   0.001% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  21.06 +/- 1.33   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  24.69 +/- 1.54   0.000% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  23.21 +/- 1.42   0.000% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.99 +/- 1.71   0.000% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  24.23 +/- 1.22   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  32.10 +/- 1.20   0.000% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  33.62 +/- 1.02   0.000% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  32.82 +/- 0.80   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  32.76 +/- 1.03   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 218.5:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.25 +/- 0.16  99.755% * 98.4611% (1.00  10.0 10.00   4.63 218.54) = 100.000%  kept
          HB3   PRO   58 - QD    LYS+  65   8.60 +/- 1.17   0.050% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  38   9.96 +/- 0.34   0.014% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  10.82 +/- 2.79   0.060% *  0.0072% (0.07   1.0  1.00   0.02   2.10) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  11.64 +/- 0.81   0.007% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  11.50 +/- 1.42   0.011% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  14.29 +/- 0.65   0.002% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.28 +/- 1.43   0.033% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  15.05 +/- 0.90   0.001% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  12.00 +/- 0.71   0.005% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  12.45 +/- 2.42   0.016% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  12.13 +/- 1.22   0.006% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  11.40 +/- 1.90   0.012% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  13.98 +/- 1.97   0.003% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  13.89 +/- 1.66   0.003% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  12.95 +/- 1.10   0.003% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  16.29 +/- 1.14   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  14.24 +/- 1.26   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.21 +/- 1.14   0.000% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  14.90 +/- 1.19   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.71 +/- 1.42   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  22.11 +/- 0.89   0.000% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.37 +/- 1.18   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  15.32 +/- 1.79   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  17.41 +/- 1.12   0.001% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  15.96 +/- 1.16   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.52 +/- 1.48   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  15.83 +/- 1.92   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  17.47 +/- 0.79   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  26.07 +/- 1.12   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  16.97 +/- 2.34   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  14.59 +/- 0.88   0.002% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.30 +/- 1.21   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  25.01 +/- 0.94   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  16.36 +/- 1.99   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  21.22 +/- 1.41   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  26.38 +/- 1.07   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  17.86 +/- 1.58   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  17.58 +/- 2.05   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  28.02 +/- 1.06   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  18.68 +/- 1.62   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  27.76 +/- 1.11   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  30.70 +/- 1.22   0.000% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  23.26 +/- 0.87   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  22.39 +/- 2.02   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  24.53 +/- 1.45   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  19.51 +/- 1.50   0.000% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  22.74 +/- 1.30   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  30.84 +/- 1.67   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  27.40 +/- 0.86   0.000% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  25.80 +/- 2.89   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.33 +/- 0.92   0.000% *  0.0030% (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 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.982, support = 5.76, residual support = 220.4:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.43 +/- 0.17  65.885% * 91.2181% (1.00  10.0 10.00   5.75 218.54) =  98.062%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.95 +/- 0.09  21.538% *  5.4974% (0.06  10.0 10.00   6.21 315.43) =   1.932%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.31 +/- 1.15   0.319% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HD2   LYS+  74   4.21 +/- 1.28  12.063% *  0.0068% (0.07   1.0  1.00   0.02   6.15) =   0.001%
          QG2   THR   77 - HD2   LYS+  74   7.92 +/- 1.24   0.089% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.63 +/- 0.59   0.038% *  0.0075% (0.08   1.0  1.00   0.02   1.18) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.18 +/- 0.71   0.004% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74   9.92 +/- 1.41   0.025% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  15.37 +/- 3.77   0.005% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  11.74 +/- 1.57   0.007% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.30 +/- 1.41   0.005% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.26 +/- 1.28   0.000% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  19.71 +/- 0.96   0.000% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  19.35 +/- 1.34   0.000% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.47 +/- 1.82   0.000% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.81 +/- 1.33   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.53 +/- 0.93   0.004% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  14.91 +/- 1.17   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  22.97 +/- 0.93   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.75 +/- 1.47   0.000% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.77 +/- 1.03   0.000% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.96 +/- 0.99   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  14.70 +/- 1.69   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  16.08 +/- 0.89   0.001% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.27 +/- 1.15   0.003% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  20.06 +/- 0.75   0.000% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  21.23 +/- 0.61   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.53 +/- 0.90   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.38 +/- 1.21   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.76 +/- 0.96   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.13 +/- 1.26   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.13 +/- 1.09   0.000% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.41 +/- 0.99   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.06 +/- 1.15   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.76 +/- 0.87   0.000% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.59 +/- 1.21   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.78 +/- 1.11   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  19.93 +/- 1.70   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.82 +/- 1.58   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.24 +/- 1.20   0.000% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.09 +/- 1.05   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.74 +/- 1.77   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.72 +/- 1.46   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.31 +/- 0.97   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 = 0.977, support = 5.43, residual support = 217.7:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.32 +/- 0.15  73.683% * 91.1914% (1.00  10.0 10.00   5.42 218.54) =  97.465%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.82 +/- 0.20  25.612% *  6.8213% (0.07  10.0 10.00   5.54 187.01) =   2.534%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.85 +/- 1.10   0.196% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QD    LYS+  38   6.85 +/- 0.46   0.140% *  0.0730% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  38   6.90 +/- 0.35   0.116% *  0.0818% (0.90   1.0  1.00   0.02  22.95) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   8.83 +/- 2.19   0.105% *  0.0189% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.54 +/- 1.61   0.067% *  0.0065% (0.07   1.0  1.00   0.02   2.10) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.56 +/- 0.95   0.020% *  0.0113% (0.12   1.0  1.00   0.02   8.41) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.64 +/- 1.42   0.007% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.89 +/- 1.25   0.003% *  0.0568% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.71 +/- 1.01   0.005% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.16 +/- 1.46   0.008% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  11.02 +/- 0.98   0.008% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.02 +/- 1.10   0.005% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  11.47 +/- 2.01   0.009% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.93 +/- 1.26   0.003% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  13.11 +/- 0.75   0.003% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.50 +/- 0.92   0.002% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.90 +/- 1.06   0.000% *  0.3111% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  17.78 +/- 1.54   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  21.67 +/- 1.47   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.73 +/- 1.05   0.003% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  14.81 +/- 0.87   0.001% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  23.02 +/- 1.02   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.68 +/- 1.40   0.000% *  0.0625% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.24 +/- 1.15   0.000% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.43 +/- 1.54   0.000% *  0.0863% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.74 +/- 1.46   0.002% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  19.56 +/- 0.86   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  24.01 +/- 1.25   0.000% *  0.0818% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.23 +/- 1.36   0.000% *  0.0234% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  19.56 +/- 0.97   0.000% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  17.54 +/- 1.24   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.80 +/- 1.01   0.000% *  0.0258% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  31.69 +/- 1.49   0.000% *  0.0686% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  23.22 +/- 1.21   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.80 +/- 0.74   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  25.67 +/- 1.01   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.66 +/- 1.38   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.71 +/- 1.97   0.000% *  0.0021% (0.02   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 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.2:
    * O T HB    THR   39 - HA    THR   39   2.97 +/- 0.13  97.201% * 98.6574% (1.00  10.0 10.00   3.00  37.19) =  99.997%  kept
          HB3   SER   37 - HA    THR   39   5.48 +/- 0.43   2.678% *  0.0952% (0.97   1.0  1.00   0.02   2.67) =   0.003%
        T HB    THR   39 - HA    ILE  103  12.86 +/- 0.67   0.016% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR   39  13.95 +/- 2.55   0.019% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  11.00 +/- 0.64   0.041% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.39 +/- 1.16   0.024% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  15.14 +/- 1.56   0.007% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  16.10 +/- 1.09   0.004% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  18.20 +/- 1.17   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  18.88 +/- 2.09   0.002% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  15.82 +/- 1.32   0.005% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  23.57 +/- 0.50   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  23.90 +/- 0.92   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  25.41 +/- 1.47   0.000% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  30.75 +/- 0.97   0.000% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.25 +/- 2.18   0.001% *  0.0325% (0.33   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 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 37.2:
    * O T QG2   THR   39 - HA    THR   39   2.23 +/- 0.26  97.244% * 97.0314% (0.87  10.0 10.00   3.00  37.19) =  99.997%  kept
          QB    ALA   34 - HA    THR   39   4.63 +/- 0.28   1.453% *  0.0934% (0.84   1.0  1.00   0.02   9.34) =   0.001%
          HG3   LYS+  38 - HA    THR   39   6.33 +/- 0.94   0.727% *  0.1116% (1.00   1.0  1.00   0.02  22.95) =   0.001%
          HG    LEU   71 - HA    THR   39   7.20 +/- 1.50   0.267% *  0.0311% (0.28   1.0  1.00   0.02   0.22) =   0.000%
          HG3   LYS+  99 - HA    THR   39   7.40 +/- 1.31   0.172% *  0.0382% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ILE  103  11.46 +/- 0.65   0.008% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   7.93 +/- 0.46   0.089% *  0.0126% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   9.08 +/- 0.81   0.028% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  18.28 +/- 0.97   0.000% *  0.5445% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  16.60 +/- 1.88   0.001% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  13.71 +/- 1.72   0.002% *  0.0589% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  13.74 +/- 1.45   0.003% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  23.48 +/- 1.15   0.000% *  0.9703% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  18.96 +/- 1.63   0.000% *  0.1799% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  19.39 +/- 1.76   0.000% *  0.1080% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  15.84 +/- 1.78   0.001% *  0.0357% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  14.00 +/- 1.59   0.002% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  18.60 +/- 1.15   0.000% *  0.0345% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.66 +/- 0.87   0.000% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  19.34 +/- 1.54   0.000% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.2:
    * O T HA    THR   39 - HB    THR   39   2.97 +/- 0.13  99.969% * 98.7925% (1.00  10.0 10.00   3.00  37.19) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  12.86 +/- 0.67   0.016% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  14.80 +/- 0.46   0.007% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  17.69 +/- 3.21   0.005% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  20.85 +/- 1.72   0.001% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  23.89 +/- 0.81   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  23.74 +/- 0.61   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  24.25 +/- 0.49   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  29.89 +/- 1.09   0.000% *  0.0968% (0.98   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 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.863, support = 2.92, residual support = 33.0:
    * O T QG2   THR   39 - HB    THR   39   2.15 +/- 0.02  77.518% * 50.3520% (0.87  10.0 10.00   2.93  37.19) =  84.982%  kept
        T QB    ALA   34 - HB    THR   39   3.10 +/- 0.57  14.224% * 48.4853% (0.84   1.0 10.00   2.88   9.34) =  15.015%  kept
          HG    LEU   71 - HB    THR   39   4.70 +/- 1.88   8.178% *  0.0161% (0.28   1.0  1.00   0.02   0.22) =   0.003%
          HG3   LYS+  38 - HB    THR   39   7.79 +/- 0.81   0.058% *  0.0579% (1.00   1.0  1.00   0.02  22.95) =   0.000%
        T HG3   LYS+  99 - HB    THR   39   9.32 +/- 1.26   0.016% *  0.1980% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    THR   39  11.29 +/- 1.77   0.006% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  15.95 +/- 0.97   0.000% *  0.2825% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  22.49 +/- 1.04   0.000% *  0.5035% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  18.74 +/- 1.87   0.000% *  0.0560% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.61 +/- 1.10   0.000% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 37.2:
    * O T HA    THR   39 - QG2   THR   39   2.23 +/- 0.26  99.393% * 96.3159% (0.87  10.0 10.00   3.00  37.19) = 100.000%  kept
          HA    GLU-  79 - QG2   THR   23   6.90 +/- 0.95   0.161% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   91   6.69 +/- 0.91   0.264% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   39  11.46 +/- 0.65   0.009% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA   91   9.72 +/- 1.98   0.077% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  11.80 +/- 0.63   0.007% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91   8.56 +/- 0.98   0.043% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91  10.70 +/- 0.90   0.013% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  14.05 +/- 2.77   0.006% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  12.82 +/- 1.00   0.006% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  18.28 +/- 0.97   0.000% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  16.60 +/- 1.88   0.001% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  12.70 +/- 0.69   0.005% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  12.62 +/- 1.22   0.006% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  18.96 +/- 1.63   0.000% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  13.18 +/- 0.75   0.003% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  17.09 +/- 1.51   0.001% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  14.46 +/- 0.46   0.002% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  23.48 +/- 1.15   0.000% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  17.01 +/- 1.73   0.001% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.55 +/- 1.11   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  20.81 +/- 0.56   0.000% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  19.38 +/- 1.13   0.000% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  21.37 +/- 0.74   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  25.00 +/- 1.08   0.000% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  20.87 +/- 2.34   0.000% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  33.22 +/- 1.67   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 = 2.93, residual support = 37.2:
    * O T HB    THR   39 - QG2   THR   39   2.15 +/- 0.02  93.921% * 97.9974% (0.87  10.0 10.00   2.93  37.19) =  99.994%  kept
          HB3   SER   37 - QG2   THR   39   4.21 +/- 0.73   5.080% *  0.0946% (0.84   1.0  1.00   0.02   2.67) =   0.005%
          HA    ILE   89 - QB    ALA   91   5.01 +/- 0.59   0.811% *  0.0447% (0.40   1.0  1.00   0.02   7.80) =   0.000%
          QB    SER   13 - QG2   THR   39   9.85 +/- 2.04   0.026% *  0.0978% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   91   7.94 +/- 2.08   0.090% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   8.12 +/- 0.63   0.035% *  0.0244% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   23   9.37 +/- 0.57   0.015% *  0.0459% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  15.95 +/- 0.97   0.001% *  0.5499% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.78 +/- 0.94   0.013% *  0.0137% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  13.62 +/- 2.08   0.003% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.49 +/- 0.58   0.002% *  0.0387% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.18 +/- 0.97   0.001% *  0.0634% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  15.22 +/- 0.52   0.001% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  22.49 +/- 1.04   0.000% *  0.4628% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  16.81 +/- 1.30   0.000% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  16.65 +/- 1.07   0.000% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  19.42 +/- 0.77   0.000% *  0.0946% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  19.52 +/- 0.87   0.000% *  0.0819% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  21.43 +/- 0.94   0.000% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  19.21 +/- 0.70   0.000% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  25.40 +/- 0.91   0.000% *  0.0447% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  25.99 +/- 1.04   0.000% *  0.0462% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  20.89 +/- 0.62   0.000% *  0.0115% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  24.65 +/- 1.16   0.000% *  0.0302% (0.27   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 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 = 5.22, residual support = 102.5:
    * O T HB2   LEU   40 - HA    LEU   40   2.41 +/- 0.08  97.623% * 97.9662% (1.00  10.0 10.00   5.22 102.48) =  99.999%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.79 +/- 0.63   2.218% *  0.0386% (0.39   1.0  1.00   0.02   0.88) =   0.001%
        T HB2   LEU   40 - HA    ASN   35   9.49 +/- 0.28   0.027% *  0.3673% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    GLU-  15   9.65 +/- 1.58   0.044% *  0.1222% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40  10.11 +/- 1.42   0.025% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  13.54 +/- 1.13   0.004% *  0.7922% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU-  15   8.91 +/- 0.49   0.040% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.68 +/- 0.50   0.008% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  14.16 +/- 1.35   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  15.16 +/- 1.43   0.002% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  16.44 +/- 1.25   0.001% *  0.0567% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  17.03 +/- 1.81   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  15.90 +/- 0.79   0.001% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  18.61 +/- 1.25   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  18.30 +/- 1.85   0.001% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  24.13 +/- 2.13   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  19.78 +/- 1.29   0.000% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.88 +/- 2.91   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  26.69 +/- 1.80   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  23.07 +/- 3.51   0.000% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  32.24 +/- 2.11   0.000% *  0.0223% (0.23   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 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.863, support = 5.42, residual support = 102.5:
    * O T HB3   LEU   40 - HA    LEU   40   3.01 +/- 0.01  56.832% * 70.6117% (1.00  10.0 10.00   5.46 102.48) =  78.029%  kept
      O T HG    LEU   40 - HA    LEU   40   3.21 +/- 0.42  42.636% * 26.5014% (0.38  10.0 10.00   5.30 102.48) =  21.970%  kept
        T HB3   LEU   40 - HA    ASN   35   9.96 +/- 0.28   0.045% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU-  15  12.08 +/- 1.12   0.017% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU-  15  10.51 +/- 2.86   0.206% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.52 +/- 0.56   0.031% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LEU   40   9.95 +/- 1.41   0.064% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  19.21 +/- 2.13   0.001% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15   9.95 +/- 1.38   0.058% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  10.66 +/- 0.99   0.034% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  14.38 +/- 1.79   0.007% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  12.16 +/- 1.02   0.015% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  18.42 +/- 1.62   0.001% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  13.05 +/- 2.10   0.015% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.11 +/- 0.53   0.009% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.96 +/- 1.42   0.007% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  16.15 +/- 0.73   0.002% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  21.88 +/- 1.41   0.000% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.91 +/- 0.26   0.009% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  18.59 +/- 1.31   0.001% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  26.00 +/- 1.95   0.000% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.26 +/- 1.15   0.003% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.80 +/- 0.87   0.002% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  22.02 +/- 1.65   0.000% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  25.12 +/- 1.47   0.000% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  20.47 +/- 1.80   0.001% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  19.85 +/- 0.89   0.001% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  21.01 +/- 1.51   0.001% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  20.16 +/- 2.19   0.001% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  22.39 +/- 1.09   0.000% *  0.0059% (0.08   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 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 102.5:
    * O T HA    LEU   40 - HB2   LEU   40   2.41 +/- 0.08  95.026% * 98.0349% (1.00  10.0 10.00   5.22 102.48) =  99.999%  kept
          HA    LYS+  99 - HB2   LEU   40   4.38 +/- 0.96   4.575% *  0.0244% (0.25   1.0  1.00   0.02  12.23) =   0.001%
        T HA    ASN   35 - HB2   LEU   40   9.49 +/- 0.28   0.027% *  0.3679% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   67   9.65 +/- 1.58   0.043% *  0.0855% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   40  13.54 +/- 1.13   0.004% *  0.9274% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67  10.11 +/- 1.42   0.024% *  0.0904% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  12.65 +/- 3.08   0.019% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   7.43 +/- 1.14   0.185% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.71 +/- 0.12   0.013% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67   9.65 +/- 1.86   0.059% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  14.13 +/- 1.20   0.003% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  17.87 +/- 2.12   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.50 +/- 0.70   0.005% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  19.18 +/- 0.89   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  16.44 +/- 1.25   0.001% *  0.0339% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  15.04 +/- 2.00   0.003% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  12.26 +/- 1.81   0.008% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  20.28 +/- 0.28   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  21.03 +/- 1.74   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.72 +/- 1.37   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  15.97 +/- 1.31   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  17.43 +/- 0.97   0.001% *  0.0041% (0.04   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 396 (1.94, 1.94, 42.31 ppm):
    2 diagonal assignments:
    *     HB2   LEU   40 - HB2   LEU   40  (1.00)  kept
          HB2   LEU   67 - HB2   LEU   67  (0.01)  kept
 
    Peak 397 (1.48, 1.94, 42.31 ppm):
    20 chemical-shift based assignments, quality = 0.972, support = 4.23, residual support = 102.1:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  84.018% * 69.9238% (1.00  10.0 10.00   4.22 102.48) =  95.728%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.62 +/- 0.29   9.189% * 26.2432% (0.38  10.0  1.00   4.73 102.48) =   3.929%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.73 +/- 0.23   6.701% *  3.1374% (0.04  10.0  1.00   5.03  57.67) =   0.343%
        T HB3   LEU   40 - HB2   LEU   67   7.27 +/- 1.47   0.029% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40   8.22 +/- 1.74   0.023% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.30 +/- 1.75   0.015% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  12.90 +/- 1.96   0.001% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  17.60 +/- 1.87   0.000% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  11.69 +/- 2.18   0.002% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.63 +/- 0.76   0.015% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.87 +/- 1.52   0.000% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  10.91 +/- 1.33   0.002% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.64 +/- 1.55   0.000% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  18.31 +/- 2.30   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  14.26 +/- 0.51   0.000% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  16.45 +/- 0.73   0.000% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  12.02 +/- 2.38   0.003% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.58 +/- 0.96   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  13.04 +/- 1.12   0.001% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  14.42 +/- 0.56   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 = 5.46, residual support = 102.5:
    * O T HA    LEU   40 - HB3   LEU   40   3.01 +/- 0.01  94.805% * 97.9684% (1.00  10.0 10.00   5.46 102.48) =  99.998%  kept
          HA    LYS+  99 - HB3   LEU   40   5.47 +/- 0.79   3.513% *  0.0244% (0.25   1.0  1.00   0.02  12.23) =   0.001%
        T HA    ASN   35 - HB3   LEU   40   9.96 +/- 0.28   0.074% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU   40  12.08 +/- 1.12   0.028% *  0.9267% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   7.00 +/- 1.32   1.260% *  0.0047% (0.05   1.0  1.00   0.02   0.40) =   0.000%
          HA    LEU  123 - HB3   LEU   40  12.46 +/- 3.13   0.093% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.86 +/- 0.19   0.043% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115  10.54 +/- 1.51   0.081% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  12.49 +/- 1.18   0.022% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  16.74 +/- 2.02   0.005% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.29 +/- 1.45   0.054% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  18.42 +/- 1.62   0.002% *  0.1149% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  17.81 +/- 0.88   0.002% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  21.88 +/- 1.41   0.001% *  0.1087% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.06 +/- 0.42   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  14.38 +/- 1.27   0.009% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  19.91 +/- 1.74   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  25.12 +/- 1.47   0.000% *  0.0431% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  17.35 +/- 1.26   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  18.68 +/- 1.54   0.002% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  28.03 +/- 1.78   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  27.33 +/- 1.82   0.000% *  0.0043% (0.04   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 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 102.5:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.961% * 99.4293% (1.00  10.0 10.00   4.22 102.48) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   7.27 +/- 1.47   0.034% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  11.99 +/- 0.68   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.11 +/- 1.49   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  15.55 +/- 1.82   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  17.60 +/- 1.87   0.000% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  12.38 +/- 1.04   0.001% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.64 +/- 1.55   0.000% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.80 +/- 0.91   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.08 +/- 1.30   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  22.87 +/- 2.65   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.99 +/- 1.65   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  25.48 +/- 1.38   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  34.94 +/- 2.24   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 = 73.9:
    * O T HB    VAL   41 - HA    VAL   41   2.90 +/- 0.20  99.422% * 99.0830% (0.69  10.0 10.00   4.17  73.90) = 100.000%  kept
          HG12  ILE  103 - HA    VAL   41   9.32 +/- 1.23   0.122% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    VAL   41   7.70 +/- 0.49   0.319% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.29 +/- 0.63   0.033% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  11.44 +/- 0.97   0.032% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  10.91 +/- 0.69   0.041% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  12.93 +/- 0.87   0.014% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  13.99 +/- 1.26   0.010% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  17.75 +/- 2.38   0.003% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  24.08 +/- 0.95   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  19.36 +/- 0.80   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  18.99 +/- 0.51   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  20.81 +/- 0.91   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  23.72 +/- 1.91   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.10 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.07, residual support = 73.9:
    * O T QG1   VAL   41 - HA    VAL   41   2.61 +/- 0.23  93.453% * 98.7361% (1.00  10.0 10.00   4.07  73.90) =  99.994%  kept
          QG1   VAL   43 - HA    VAL   41   4.56 +/- 0.38   3.945% *  0.0934% (0.95   1.0  1.00   0.02   1.82) =   0.004%
          QD2   LEU   73 - HA    VAL   41   5.30 +/- 0.49   1.720% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    VAL   41   6.42 +/- 0.89   0.693% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    VAL   41  10.21 +/- 0.87   0.035% *  0.7546% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   8.67 +/- 0.83   0.082% *  0.1954% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   9.83 +/- 1.56   0.064% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  13.60 +/- 0.63   0.006% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  15.58 +/- 1.49   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 73.9:
    * O T QG2   VAL   41 - HA    VAL   41   2.34 +/- 0.33  97.679% * 99.7508% (1.00  10.0 10.00   3.96  73.90) =  99.998%  kept
          QD2   LEU   98 - HA    VAL   41   4.65 +/- 0.63   2.214% *  0.0944% (0.95   1.0  1.00   0.02  28.75) =   0.002%
          QD2   LEU   63 - HA    VAL   41   9.60 +/- 2.04   0.100% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  12.57 +/- 1.29   0.007% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.17, residual support = 73.9:
    * O T HA    VAL   41 - HB    VAL   41   2.90 +/- 0.20  99.969% * 99.8595% (0.69  10.0 10.00   4.17  73.90) = 100.000%  kept
          HA    HIS  122 - HB    VAL   41  13.71 +/- 2.21   0.018% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB    VAL   41  13.14 +/- 0.51   0.012% *  0.0606% (0.42   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 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 = 3.89, residual support = 73.9:
    * O T QG1   VAL   41 - HB    VAL   41   2.13 +/- 0.02  96.157% * 98.7361% (0.69  10.0 10.00   3.89  73.90) =  99.996%  kept
          QG1   VAL   43 - HB    VAL   41   3.94 +/- 0.47   3.077% *  0.0934% (0.65   1.0  1.00   0.02   1.82) =   0.003%
        T QD2   LEU  104 - HB    VAL   41   7.39 +/- 1.27   0.127% *  0.1954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          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%
          QD2   LEU   73 - HB    VAL   41   6.72 +/- 0.87   0.280% *  0.0443% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  11.78 +/- 0.92   0.004% *  0.7546% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41  11.72 +/- 1.82   0.012% *  0.0305% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  14.02 +/- 0.79   0.001% *  0.0639% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.85 +/- 1.48   0.001% *  0.0220% (0.15   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 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 3.91, residual support = 72.3:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.01  69.326% * 92.0707% (0.69  10.0 10.00   3.99  73.90) =  96.394%  kept
          QD2   LEU   98 - HB    VAL   41   2.84 +/- 0.99  30.663% *  7.7864% (0.65   1.0  1.00   1.79  28.75) =   3.606%  kept
          QD2   LEU   63 - HB    VAL   41  10.46 +/- 2.23   0.009% *  0.0558% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  12.55 +/- 1.57   0.002% *  0.0871% (0.65   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 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 73.9:
    * O T HA    VAL   41 - QG2   VAL   41   2.34 +/- 0.33  99.970% * 99.8595% (1.00  10.0 10.00   3.96  73.90) = 100.000%  kept
          HA    HIS  122 - QG2   VAL   41  12.62 +/- 2.00   0.014% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG2   VAL   41  10.53 +/- 0.56   0.015% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.99, residual support = 73.9:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.01  99.570% * 99.0830% (0.69  10.0 10.00   3.99  73.90) = 100.000%  kept
          HG12  ILE  103 - QG2   VAL   41   6.65 +/- 1.61   0.205% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   VAL   41   6.46 +/- 0.66   0.151% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41   8.43 +/- 0.85   0.031% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   8.63 +/- 0.76   0.026% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41  10.05 +/- 0.93   0.011% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  12.54 +/- 0.77   0.003% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  13.90 +/- 1.03   0.001% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  16.46 +/- 1.82   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  14.51 +/- 0.57   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  20.06 +/- 0.99   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  16.17 +/- 0.93   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  16.17 +/- 0.81   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  20.22 +/- 1.48   0.000% *  0.0647% (0.45   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 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 3.78, residual support = 72.6:
    * O T QG1   VAL   41 - QG2   VAL   41   2.07 +/- 0.04  74.279% * 90.4703% (1.00  10.0 10.00   3.81  73.90) =  98.152%  kept
          QG1   VAL   43 - QG2   VAL   41   2.93 +/- 0.56  14.889% *  8.4572% (0.95   1.0  1.00   1.98   1.82) =   1.839%  kept
          HG    LEU   31 - QG2   VAL   41   3.55 +/- 0.98  10.149% *  0.0549% (0.61   1.0  1.00   0.02   0.02) =   0.008%
          QD2   LEU   73 - QG2   VAL   41   4.83 +/- 0.61   0.594% *  0.0406% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG2   VAL   41   7.35 +/- 0.91   0.058% *  0.1790% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QG2   VAL   41   9.56 +/- 0.87   0.009% *  0.6914% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   8.91 +/- 1.28   0.018% *  0.0279% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  11.37 +/- 0.66   0.003% *  0.0585% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  13.55 +/- 1.21   0.001% *  0.0201% (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 = 4.38, residual support = 88.7:
    * O T HB    VAL   42 - HA    VAL   42   2.97 +/- 0.05  95.783% * 97.8517% (0.87  10.0 10.00   4.38  88.74) =  99.996%  kept
          QB    LEU   98 - HA    VAL   42   5.49 +/- 0.55   2.958% *  0.0862% (0.76   1.0  1.00   0.02   0.63) =   0.003%
        T HB2   LYS+ 112 - HA    PHE   55   8.75 +/- 1.65   0.331% *  0.1824% (0.16   1.0 10.00   0.02   2.26) =   0.001%
          HB3   LEU   73 - HA    VAL   42   7.61 +/- 1.14   0.605% *  0.0903% (0.80   1.0  1.00   0.02   1.40) =   0.001%
          HG3   LYS+ 106 - HA    VAL   42   9.24 +/- 0.49   0.113% *  0.0639% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  12.82 +/- 1.56   0.029% *  0.0862% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  12.22 +/- 0.62   0.021% *  0.1041% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  11.48 +/- 0.63   0.031% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  11.97 +/- 1.65   0.033% *  0.0506% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  19.11 +/- 1.22   0.001% *  0.7749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  16.30 +/- 2.62   0.063% *  0.0129% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  14.49 +/- 1.10   0.008% *  0.0979% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  19.82 +/- 1.85   0.001% *  0.2303% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  14.41 +/- 0.85   0.008% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  18.94 +/- 1.83   0.002% *  0.1089% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  16.65 +/- 1.98   0.004% *  0.0230% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  19.86 +/- 2.36   0.003% *  0.0213% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  20.37 +/- 0.95   0.001% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  20.05 +/- 1.45   0.001% *  0.0119% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  22.16 +/- 1.33   0.001% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  21.88 +/- 2.37   0.001% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  27.65 +/- 2.93   0.000% *  0.0256% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  29.61 +/- 2.40   0.000% *  0.0245% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.69 +/- 2.23   0.000% *  0.0203% (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 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 88.7:
    * O T QG1   VAL   42 - HA    VAL   42   2.62 +/- 0.21  99.014% * 98.1799% (0.97  10.0 10.00   4.00  88.74) =  99.999%  kept
        T QB    ALA   64 - HA    VAL   42   8.01 +/- 0.67   0.142% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    PHE   55   9.46 +/- 0.86   0.064% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    PHE   55   7.74 +/- 1.83   0.765% *  0.0164% (0.16   1.0  1.00   0.02   2.26) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.79 +/- 0.17   0.003% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  14.61 +/- 1.47   0.004% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  13.53 +/- 1.35   0.007% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  18.72 +/- 1.71   0.001% *  0.0699% (0.69   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 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.7:
    * O T QG2   VAL   42 - HA    VAL   42   2.19 +/- 0.19  99.912% * 99.6660% (0.80  10.0 10.00   4.00  88.74) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   7.50 +/- 0.54   0.085% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  16.08 +/- 1.24   0.001% *  0.2346% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  14.96 +/- 1.64   0.002% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.38, residual support = 88.7:
    * O T HA    VAL   42 - HB    VAL   42   2.97 +/- 0.05  98.992% * 97.9628% (0.87  10.0 10.00   4.38  88.74) =  99.998%  kept
        T HA    PHE   55 - HB2   LYS+ 112   8.75 +/- 1.65   0.342% *  0.3914% (0.35   1.0 10.00   0.02   2.26) =   0.001%
          HA    ALA  110 - HB2   LYS+ 112   7.41 +/- 0.99   0.546% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    VAL   42  10.00 +/- 0.92   0.082% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  19.11 +/- 1.22   0.002% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  19.82 +/- 1.85   0.001% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  13.86 +/- 0.57   0.010% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  14.05 +/- 0.43   0.009% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  14.81 +/- 1.37   0.009% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  17.37 +/- 2.11   0.003% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  18.22 +/- 0.85   0.002% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  19.17 +/- 1.84   0.002% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  21.50 +/- 1.93   0.001% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  32.93 +/- 1.95   0.000% *  0.0419% (0.37   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 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 = 0.79, support = 4.65, residual support = 104.8:
    * O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.02  79.777% * 65.1690% (0.84  10.0 10.00   4.38  88.74) =  88.786%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.72 +/- 0.24  20.059% * 32.7352% (0.42  10.0 10.00   6.74 232.04) =  11.214%  kept
          QB    ALA   64 - HB    VAL   42   6.18 +/- 0.65   0.160% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  13.43 +/- 1.44   0.002% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  14.76 +/- 1.34   0.001% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.47 +/- 0.31   0.001% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  19.34 +/- 2.24   0.000% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  14.90 +/- 1.68   0.001% *  0.0094% (0.12   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 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.33, residual support = 88.7:
    * O T QG2   VAL   42 - HB    VAL   42   2.13 +/- 0.01  99.961% * 99.1635% (0.69  10.0 10.00   4.33  88.74) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   8.08 +/- 0.59   0.038% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  15.44 +/- 1.38   0.001% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  16.98 +/- 1.10   0.000% *  0.0565% (0.40   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 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 4.38, residual support = 88.7:
    * O T HB    VAL   42 - QG1   VAL   42   2.12 +/- 0.02  99.152% * 96.3200% (0.84  10.0 10.00   4.38  88.74) =  99.999%  kept
          HB3   LEU   73 - QG1   VAL   42   5.46 +/- 0.91   0.606% *  0.0889% (0.77   1.0  1.00   0.02   1.40) =   0.001%
          QB    LEU   98 - QG1   VAL   42   6.87 +/- 0.59   0.109% *  0.0849% (0.74   1.0  1.00   0.02   0.63) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   7.81 +/- 0.82   0.051% *  0.0540% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  13.43 +/- 1.44   0.002% *  0.6587% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42   9.58 +/- 0.88   0.014% *  0.0963% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   9.22 +/- 0.62   0.016% *  0.0629% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  14.76 +/- 1.34   0.001% *  0.7627% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  10.82 +/- 0.70   0.006% *  0.1025% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  15.47 +/- 0.31   0.001% *  0.8318% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  13.06 +/- 1.70   0.006% *  0.0849% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42  10.45 +/- 1.21   0.010% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  10.11 +/- 0.73   0.009% *  0.0467% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  10.65 +/- 1.50   0.009% *  0.0296% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  12.96 +/- 0.70   0.002% *  0.0768% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  14.81 +/- 1.42   0.001% *  0.1072% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.02 +/- 0.78   0.003% *  0.0343% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  16.24 +/- 0.40   0.001% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  15.56 +/- 0.60   0.001% *  0.0543% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  17.07 +/- 1.24   0.000% *  0.0832% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.10 +/- 1.18   0.000% *  0.0430% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.84 +/- 0.89   0.000% *  0.0885% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.62 +/- 1.41   0.000% *  0.0925% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  22.60 +/- 1.17   0.000% *  0.0733% (0.64   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 423 (0.37, 0.37, 21.48 ppm):
    2 diagonal assignments:
    *     QG1   VAL   42 - QG1   VAL   42  (0.93)  kept
          QB    ALA   47 - QB    ALA   47  (0.83)  kept
 
    Peak 424 (0.15, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 88.7:
    * O T QG2   VAL   42 - QG1   VAL   42   2.06 +/- 0.06  99.747% * 98.9960% (0.77  10.0 10.00   4.00  88.74) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   5.90 +/- 0.50   0.211% *  0.0800% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   7.89 +/- 0.85   0.040% *  0.0691% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  13.07 +/- 0.48   0.002% *  0.8549% (0.67   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.7:
    * O T HA    VAL   42 - QG2   VAL   42   2.19 +/- 0.19  99.950% * 99.2010% (0.80  10.0 10.00   4.00  88.74) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   9.09 +/- 0.98   0.034% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  16.08 +/- 1.24   0.001% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  11.95 +/- 0.56   0.006% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.20 +/- 0.66   0.004% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  13.56 +/- 1.74   0.003% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  15.35 +/- 0.93   0.001% *  0.0372% (0.30   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 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.695, support = 4.33, residual support = 88.7:
    * O T HB    VAL   42 - QG2   VAL   42   2.13 +/- 0.01  98.850% * 98.4381% (0.69  10.0 10.00   4.33  88.74) =  99.999%  kept
          QB    LEU   98 - QG2   VAL   42   5.69 +/- 0.83   0.925% *  0.0867% (0.61   1.0  1.00   0.02   0.63) =   0.001%
          HB3   LEU   73 - QG2   VAL   42   7.33 +/- 0.92   0.090% *  0.0909% (0.64   1.0  1.00   0.02   1.40) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  11.44 +/- 1.95   0.043% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   8.58 +/- 0.81   0.027% *  0.0642% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42   9.20 +/- 1.63   0.033% *  0.0509% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  10.45 +/- 1.02   0.008% *  0.1048% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42  10.40 +/- 1.05   0.009% *  0.0984% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  15.44 +/- 1.38   0.001% *  0.7795% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42  10.08 +/- 0.90   0.011% *  0.0552% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  15.04 +/- 1.48   0.001% *  0.1095% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  13.77 +/- 0.95   0.002% *  0.0350% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 88.7:
    * O T QG1   VAL   42 - QG2   VAL   42   2.06 +/- 0.06  99.612% * 98.8869% (0.77  10.0 10.00   4.00  88.74) = 100.000%  kept
          QB    ALA   64 - QG2   VAL   42   5.44 +/- 0.68   0.385% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - QG2   VAL   42  13.07 +/- 0.48   0.002% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  15.11 +/- 1.86   0.001% *  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 = 61.0:
    * O T HB    VAL   43 - HA    VAL   43   2.95 +/- 0.12  99.967% * 99.7401% (0.97  10.0 10.00   3.30  60.98) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.78 +/- 0.81   0.016% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  13.60 +/- 0.66   0.011% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  15.31 +/- 0.48   0.005% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.889, support = 4.35, residual support = 59.9:
    * O T QG1   VAL   43 - HA    VAL   43   2.64 +/- 0.25  66.669% * 95.4174% (0.90  10.0 10.00   4.41  60.98) =  97.884%  kept
          QD2   LEU   73 - HA    VAL   43   3.88 +/- 1.53  32.741% *  4.1982% (0.53   1.0  1.00   1.50   7.87) =   2.115%  kept
          QG1   VAL   41 - HA    VAL   43   7.36 +/- 0.30   0.147% *  0.1055% (0.99   1.0  1.00   0.02   1.82) =   0.000%
          QG2   VAL   18 - HA    VAL   43   7.60 +/- 1.07   0.173% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   43   7.80 +/- 0.78   0.127% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   43   8.35 +/- 0.65   0.070% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   9.27 +/- 1.01   0.045% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  11.81 +/- 1.32   0.014% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.45 +/- 0.91   0.015% *  0.0164% (0.15   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 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 61.0:
    * O T QG2   VAL   43 - HA    VAL   43   2.26 +/- 0.14  99.386% * 98.9143% (0.69  10.0 10.00   3.00  60.98) =  99.995%  kept
        T QD2   LEU   31 - HA    VAL   43   5.77 +/- 0.74   0.477% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL   83 - HA    VAL   43   6.97 +/- 0.51   0.137% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 61.0:
    * O T HA    VAL   43 - HB    VAL   43   2.95 +/- 0.12  99.914% * 99.8083% (0.97  10.0 10.00   3.30  60.98) = 100.000%  kept
          HA    HIS   22 - HB    VAL   43  11.38 +/- 0.92   0.033% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    VAL   43  10.82 +/- 0.87   0.049% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  16.30 +/- 0.56   0.004% *  0.0895% (0.87   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 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 = 3.77, residual support = 61.0:
    * O T QG1   VAL   43 - HB    VAL   43   2.13 +/- 0.01  97.961% * 97.7514% (0.87  10.0 10.00   3.77  60.98) =  99.998%  kept
          QD2   LEU   73 - HB    VAL   43   6.04 +/- 1.62   1.882% *  0.0573% (0.51   1.0  1.00   0.02   7.87) =   0.001%
        T QG1   VAL   41 - HB    VAL   43   7.30 +/- 0.40   0.063% *  1.0803% (0.96   1.0 10.00   0.02   1.82) =   0.001%
        T QG2   VAL   18 - HB    VAL   43   9.74 +/- 1.06   0.013% *  0.7487% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   43   7.88 +/- 0.74   0.046% *  0.0749% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  10.44 +/- 0.91   0.009% *  0.1682% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   9.21 +/- 0.69   0.017% *  0.0617% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  11.52 +/- 1.11   0.005% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  12.08 +/- 1.23   0.004% *  0.0303% (0.27   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 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 61.0:
    * O T QG2   VAL   43 - HB    VAL   43   2.13 +/- 0.02  99.491% * 98.9143% (0.66  10.0 10.00   2.89  60.98) =  99.997%  kept
        T QD2   LEU   31 - HB    VAL   43   6.04 +/- 0.74   0.304% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   83 - HB    VAL   43   6.14 +/- 0.54   0.206% *  0.0400% (0.27   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 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.41, residual support = 61.0:
    * O T HA    VAL   43 - QG1   VAL   43   2.64 +/- 0.25  99.806% * 99.8083% (0.90  10.0 10.00   4.41  60.98) = 100.000%  kept
          HA    HIS   22 - QG1   VAL   43   9.81 +/- 1.07   0.045% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   71 - QG1   VAL   43   7.98 +/- 0.76   0.139% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  12.54 +/- 0.46   0.010% *  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 = 3.77, residual support = 61.0:
    * O T HB    VAL   43 - QG1   VAL   43   2.13 +/- 0.01  99.975% * 99.7401% (0.87  10.0 10.00   3.77  60.98) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   8.99 +/- 0.81   0.022% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  13.26 +/- 0.61   0.002% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  13.33 +/- 0.57   0.002% *  0.0544% (0.47   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 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 = 3.89, residual support = 60.9:
    * O T QG2   VAL   43 - QG1   VAL   43   2.07 +/- 0.05  94.512% * 98.9143% (0.62  10.0 10.00   3.89  60.98) =  99.942%  kept
        T QD2   LEU   31 - QG1   VAL   43   3.69 +/- 0.66   5.179% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.058%
          QG2   VAL   83 - QG1   VAL   43   5.55 +/- 0.58   0.309% *  0.0400% (0.25   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 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 61.0:
    * O T HB    VAL   43 - QG2   VAL   43   2.13 +/- 0.02  99.673% * 99.3815% (0.66  10.0 10.00   2.89  60.98) =  99.999%  kept
        T HB    VAL   43 - QD2   LEU   31   6.04 +/- 0.74   0.304% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   43  11.39 +/- 0.75   0.005% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   43  11.27 +/- 0.50   0.005% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31  10.32 +/- 0.79   0.009% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  13.21 +/- 0.66   0.002% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  14.11 +/- 0.56   0.001% *  0.0293% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  13.61 +/- 0.99   0.002% *  0.0155% (0.10   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 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.536, support = 4.22, residual support = 89.3:
    * O T QG1   VAL   43 - QG2   VAL   43   2.07 +/- 0.05  46.031% * 80.9559% (0.62  10.0 10.00   3.89  60.98) =  83.455%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.10 +/- 0.02  41.465% * 17.7908% (0.14  10.0 10.00   5.89 232.78) =  16.521%  kept
        T QG1   VAL   43 - QD2   LEU   31   3.69 +/- 0.66   2.583% *  0.2323% (0.18   1.0 10.00   0.02   0.02) =   0.013%
          QD2   LEU   73 - QG2   VAL   43   4.25 +/- 1.45   7.069% *  0.0475% (0.36   1.0  1.00   0.02   7.87) =   0.008%
        T HG    LEU   31 - QG2   VAL   43   5.74 +/- 0.81   0.151% *  0.6201% (0.47   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   41 - QD2   LEU   31   4.14 +/- 0.83   1.936% *  0.0257% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QD2   LEU   31   4.58 +/- 0.77   0.611% *  0.0136% (0.10   1.0  1.00   0.02   1.31) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.50 +/- 0.40   0.053% *  0.0895% (0.68   1.0  1.00   0.02   1.82) =   0.000%
          QG2   THR   46 - QG2   VAL   43   7.06 +/- 0.59   0.034% *  0.0511% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   7.86 +/- 0.97   0.020% *  0.0620% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   8.70 +/- 0.95   0.010% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   8.04 +/- 0.93   0.018% *  0.0065% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.64 +/- 1.04   0.003% *  0.0251% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.88 +/- 0.67   0.004% *  0.0178% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43  10.01 +/- 0.80   0.004% *  0.0139% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  10.95 +/- 0.60   0.002% *  0.0147% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31   9.84 +/- 0.63   0.004% *  0.0040% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.58 +/- 1.36   0.001% *  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   2.97 +/- 0.18  99.562% * 97.1917% (1.00  10.0 10.00   2.68  37.79) = 100.000%  kept
          HB3   PHE   72 - HA    ASP-  44   8.37 +/- 0.92   0.289% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  14.89 +/- 1.45   0.008% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44   9.99 +/- 0.61   0.076% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  17.60 +/- 1.74   0.004% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  11.29 +/- 0.73   0.037% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  12.62 +/- 1.22   0.019% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  25.69 +/- 1.79   0.000% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  16.50 +/- 0.67   0.004% *  0.0270% (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 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   2.56 +/- 0.17  99.554% * 98.4998% (1.00  10.0 10.00   4.00  37.79) =  99.999%  kept
        T QB    ALA   84 - HA    ASP-  44   9.54 +/- 0.68   0.044% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASP-  44   7.82 +/- 0.82   0.203% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASP-  44   8.79 +/- 1.37   0.105% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44   9.74 +/- 1.09   0.040% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  11.48 +/- 1.19   0.018% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44  10.44 +/- 0.65   0.024% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  14.10 +/- 0.59   0.004% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  15.25 +/- 1.41   0.003% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  18.05 +/- 1.23   0.001% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  15.99 +/- 0.72   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  15.59 +/- 0.97   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.68 +/- 0.42   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   2.97 +/- 0.18  99.504% * 98.1053% (1.00  10.0 10.00   2.68  37.79) = 100.000%  kept
          HA    ALA   57 - HB2   ASP-  44   8.33 +/- 1.70   0.430% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ASP-  44  11.93 +/- 0.92   0.025% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  17.14 +/- 1.36   0.004% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.92 +/- 0.78   0.010% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  14.61 +/- 0.61   0.008% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  16.11 +/- 0.62   0.004% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  25.58 +/- 2.12   0.000% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  15.63 +/- 0.48   0.005% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  16.02 +/- 1.04   0.005% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.33 +/- 0.49   0.004% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  23.18 +/- 1.79   0.001% *  0.0478% (0.49   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 449 (2.27, 2.27, 38.87 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  44 - HB2   ASP-  44  (1.00)  kept
 
    Peak 450 (1.34, 2.27, 38.87 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.62, residual support = 37.8:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.963% * 99.2040% (1.00  10.0 10.00   2.62  37.79) = 100.000%  kept
          HB2   LEU   63 - HB2   ASP-  44   7.93 +/- 1.30   0.020% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  44   9.13 +/- 1.18   0.010% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  10.79 +/- 0.64   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.27 +/- 1.02   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  11.97 +/- 1.07   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  14.36 +/- 0.67   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.96 +/- 0.60   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  17.98 +/- 1.54   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  17.24 +/- 1.43   0.000% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.62 +/- 0.74   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  16.45 +/- 1.52   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.64 +/- 0.55   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   2.56 +/- 0.17  99.480% * 99.3093% (1.00  10.0 10.00   4.00  37.79) = 100.000%  kept
          HA    ALA   57 - HB3   ASP-  44   7.38 +/- 1.45   0.477% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  11.39 +/- 1.06   0.028% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  14.13 +/- 0.88   0.004% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  14.83 +/- 0.69   0.003% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  15.80 +/- 0.60   0.002% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  14.88 +/- 0.91   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.76 +/- 0.43   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  16.37 +/- 0.49   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  18.40 +/- 1.23   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  26.95 +/- 2.04   0.000% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  24.49 +/- 1.64   0.000% *  0.0483% (0.49   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 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.62, residual support = 37.8:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.965% * 99.4398% (1.00  10.0 10.00   2.62  37.79) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   7.30 +/- 0.91   0.028% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44   9.78 +/- 0.92   0.004% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  12.33 +/- 0.89   0.001% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  14.17 +/- 1.36   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  16.52 +/- 1.71   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.86 +/- 1.26   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  17.06 +/- 0.84   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  24.89 +/- 1.65   0.000% *  0.0603% (0.61   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 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.4:
    * O T HB2   PHE   45 - HA    PHE   45   3.05 +/- 0.12  99.802% * 99.8680% (1.00  10.0 10.00   3.31  80.43) = 100.000%  kept
          HB2   CYS   21 - HA    PHE   45   9.00 +/- 0.97   0.194% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    PHE   45  16.48 +/- 0.78   0.004% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.4:
    * O T HB3   PHE   45 - HA    PHE   45   2.56 +/- 0.14  99.959% * 99.6736% (1.00  10.0 10.00   4.00  80.43) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  10.80 +/- 0.75   0.021% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  11.80 +/- 0.58   0.012% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  14.68 +/- 1.87   0.004% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  17.91 +/- 0.55   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  14.65 +/- 0.90   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  18.05 +/- 1.06   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.4:
    * O T HA    PHE   45 - HB2   PHE   45   3.05 +/- 0.12  99.987% * 99.9145% (1.00  10.0 10.00   3.31  80.43) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  13.90 +/- 0.29   0.011% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  19.23 +/- 1.21   0.002% *  0.0249% (0.25   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 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.4:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.991% * 99.6736% (1.00  10.0 10.00   3.31  80.43) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   9.05 +/- 0.94   0.007% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  11.02 +/- 0.62   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  13.71 +/- 1.70   0.001% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  15.22 +/- 1.06   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  19.61 +/- 0.64   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  19.10 +/- 1.08   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 = 80.4:
    * O T HA    PHE   45 - HB3   PHE   45   2.56 +/- 0.14  99.996% * 99.9145% (1.00  10.0 10.00   4.00  80.43) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.41 +/- 0.19   0.003% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.49 +/- 1.18   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.4:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.998% * 99.8680% (1.00  10.0 10.00   3.31  80.43) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45  10.99 +/- 1.03   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  15.54 +/- 1.07   0.000% *  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   2.56 +/- 0.11  99.987% * 98.0423% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  13.00 +/- 1.39   0.010% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  18.12 +/- 2.93   0.002% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  24.52 +/- 1.88   0.000% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  26.54 +/- 1.42   0.000% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  19.28 +/- 1.06   0.001% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  20.94 +/- 2.16   0.000% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  30.46 +/- 1.91   0.000% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  30.53 +/- 2.04   0.000% *  0.0384% (0.39   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 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   2.85 +/- 0.39  98.960% * 97.3989% (1.00  10.0 10.00   3.00  34.51) =  99.999%  kept
          QD1   ILE   19 - HA    SER   13   9.07 +/- 1.73   0.583% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    THR   46   9.36 +/- 1.16   0.123% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   37   8.63 +/- 0.32   0.173% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    THR   46  10.50 +/- 0.32   0.050% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37  13.01 +/- 1.45   0.019% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  13.07 +/- 0.83   0.017% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  13.43 +/- 0.43   0.012% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  13.94 +/- 0.81   0.010% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  19.93 +/- 1.13   0.001% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  13.68 +/- 0.78   0.010% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  21.69 +/- 0.57   0.001% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  16.43 +/- 0.82   0.004% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  15.94 +/- 2.10   0.007% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.79 +/- 0.32   0.004% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.18 +/- 0.50   0.013% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  17.43 +/- 1.74   0.004% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  17.94 +/- 0.94   0.002% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  17.19 +/- 0.66   0.003% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  21.41 +/- 2.18   0.001% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  19.68 +/- 2.28   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   2.56 +/- 0.11  99.957% * 98.0777% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  10.60 +/- 1.28   0.032% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  14.57 +/- 1.30   0.004% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  13.59 +/- 1.04   0.006% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  24.52 +/- 1.88   0.000% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  26.54 +/- 1.42   0.000% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  18.41 +/- 1.14   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  20.05 +/- 1.14   0.001% *  0.0440% (0.45   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 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HB    THR   46   2.17 +/- 0.01  99.937% * 99.5878% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   8.15 +/- 1.07   0.051% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46  10.80 +/- 0.81   0.007% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  12.67 +/- 1.21   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  15.88 +/- 1.08   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  18.58 +/- 1.56   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  17.19 +/- 1.21   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   2.85 +/- 0.39  99.806% * 98.0777% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    PRO   58 - QG2   THR   46   9.09 +/- 1.32   0.131% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG2   THR   46  11.89 +/- 1.03   0.023% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  11.20 +/- 0.83   0.029% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  19.93 +/- 1.13   0.001% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  21.69 +/- 0.57   0.001% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  14.89 +/- 0.90   0.006% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  16.53 +/- 0.73   0.003% *  0.0440% (0.45   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 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - QG2   THR   46   2.17 +/- 0.01  99.995% * 99.8459% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  12.38 +/- 1.62   0.005% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  16.23 +/- 1.48   0.001% *  0.0895% (0.90   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 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  99.996% * 99.0048% (0.95  10.0 10.00   2.00  11.01) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  13.04 +/- 0.45   0.002% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  16.69 +/- 2.40   0.001% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  14.35 +/- 0.86   0.001% *  0.0323% (0.31   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 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.936, support = 2.01, residual support = 10.9:
    * O T HA    ALA   47 - QB    ALA   47   2.14 +/- 0.02  75.414% * 93.2740% (0.95  10.0 10.00   2.00  11.01) =  98.105%  kept
          HA    CYS   50 - QB    ALA   47   3.17 +/- 1.37  23.917% *  5.6792% (0.42   1.0  1.00   2.72   6.76) =   1.894%  kept
          HA    TRP   49 - QB    ALA   47   4.80 +/- 0.23   0.638% *  0.0259% (0.26   1.0  1.00   0.02  16.09) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  13.04 +/- 0.45   0.002% *  0.7144% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    ALA   47   9.81 +/- 0.70   0.009% *  0.0914% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42  10.81 +/- 0.84   0.005% *  0.0700% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    ALA   47  10.77 +/- 0.89   0.005% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  10.28 +/- 0.71   0.007% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  14.51 +/- 1.58   0.001% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  14.20 +/- 0.87   0.001% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  13.78 +/- 0.79   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  17.52 +/- 0.56   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 1.75, residual support = 9.36:
    * O T QB    SER   48 - HA    SER   48   2.25 +/- 0.07  99.309% * 96.0221% (1.00  10.0 10.00   1.75   9.36) =  99.999%  kept
        T QB    SER   85 - HB2   SER   82   5.57 +/- 0.24   0.451% *  0.2561% (0.27   1.0 10.00   0.02   2.96) =   0.001%
          HA2   GLY   51 - HA    SER   48   8.53 +/- 1.56   0.155% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  13.94 +/- 1.65   0.002% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  14.95 +/- 1.82   0.002% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70   9.08 +/- 1.78   0.049% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  12.45 +/- 0.93   0.004% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.23 +/- 0.94   0.013% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  16.58 +/- 1.19   0.001% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  21.71 +/- 1.60   0.000% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  14.23 +/- 2.54   0.003% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  13.95 +/- 2.07   0.003% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  14.42 +/- 0.49   0.001% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  24.07 +/- 1.14   0.000% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  23.38 +/- 1.00   0.000% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  15.65 +/- 1.32   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  12.13 +/- 0.90   0.004% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  25.82 +/- 1.02   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  22.87 +/- 0.42   0.000% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  18.05 +/- 0.56   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  22.03 +/- 1.37   0.000% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  26.00 +/- 1.39   0.000% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  23.25 +/- 0.85   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  27.51 +/- 1.42   0.000% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  30.11 +/- 1.17   0.000% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  22.33 +/- 1.06   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  27.99 +/- 0.98   0.000% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  27.03 +/- 0.97   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  28.15 +/- 0.65   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  31.04 +/- 1.28   0.000% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.84, residual support = 74.2:
    * O T HB2   TRP   49 - HA    TRP   49   2.42 +/- 0.10  99.381% * 50.9151% (1.00  10.0 10.00   3.84  74.62) =  99.433%  kept
        T HB2   TRP   49 - HA    CYS   50   5.93 +/- 0.42   0.601% * 47.9899% (0.94   1.0 10.00   3.37   2.84) =   0.567%  kept
        T HA2   GLY  109 - HA    CYS   50  13.93 +/- 1.89   0.004% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  17.17 +/- 1.58   0.001% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  14.30 +/- 1.56   0.003% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  15.60 +/- 1.16   0.002% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  12.89 +/- 1.65   0.006% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  19.54 +/- 1.74   0.000% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  14.43 +/- 0.66   0.002% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  20.49 +/- 2.16   0.000% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  23.93 +/- 1.01   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  24.85 +/- 1.70   0.000% *  0.0505% (0.99   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 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.83, residual support = 73.9:
    * O T HB3   TRP   49 - HA    TRP   49   2.44 +/- 0.14  98.924% * 51.4295% (0.84  10.0 10.00   3.84  74.62) =  98.991%  kept
        T HB3   TRP   49 - HA    CYS   50   5.46 +/- 0.36   1.070% * 48.4748% (0.79   1.0 10.00   3.36   2.84) =   1.009%  kept
          HB3   PHE   59 - HA    CYS   50  13.14 +/- 1.58   0.006% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.58 +/- 0.91   0.001% *  0.0493% (0.80   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 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.84, residual support = 74.6:
    * O T HA    TRP   49 - HB2   TRP   49   2.42 +/- 0.10  98.959% * 97.9260% (1.00  10.0 10.00   3.84  74.62) =  99.994%  kept
        T HA    CYS   50 - HB2   TRP   49   5.93 +/- 0.42   0.599% *  0.9263% (0.95   1.0 10.00   0.02   2.84) =   0.006%
          HA    ALA   47 - HB2   TRP   49   6.52 +/- 0.76   0.440% *  0.0272% (0.28   1.0  1.00   0.02  16.09) =   0.000%
        T HA1   GLY  109 - HB2   TRP   49  16.71 +/- 1.29   0.001% *  0.9451% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  19.72 +/- 1.11   0.000% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  16.52 +/- 1.22   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  30.39 +/- 1.21   0.000% *  0.0633% (0.65   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 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 = 74.6:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.9042% (0.84  10.0 10.00   3.00  74.62) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  18.06 +/- 1.15   0.000% *  0.0958% (0.80   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 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 3.84, residual support = 74.6:
    * O T HA    TRP   49 - HB3   TRP   49   2.44 +/- 0.14  98.731% * 98.7661% (0.84  10.0 10.00   3.84  74.62) =  99.990%  kept
        T HA    CYS   50 - HB3   TRP   49   5.46 +/- 0.36   1.067% *  0.9343% (0.79   1.0 10.00   0.02   2.84) =   0.010%
          HA    ALA   47 - HB3   TRP   49   7.12 +/- 0.52   0.199% *  0.0275% (0.23   1.0  1.00   0.02  16.09) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  16.50 +/- 1.36   0.001% *  0.0953% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  20.33 +/- 1.05   0.000% *  0.0934% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  16.48 +/- 1.18   0.001% *  0.0195% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  30.73 +/- 0.92   0.000% *  0.0639% (0.54   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 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 74.6:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.999% * 99.6151% (0.84  10.0 10.00   3.00  74.62) = 100.000%  kept
          HA    ALA   84 - HB3   TRP   49  15.66 +/- 1.19   0.000% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  15.95 +/- 1.88   0.000% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  15.51 +/- 0.99   0.000% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  23.88 +/- 1.39   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  24.47 +/- 2.01   0.000% *  0.0987% (0.83   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 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 = 1.64, residual support = 7.16:
    * O T QB    CYS   50 - HA    CYS   50   2.28 +/- 0.12  97.964% * 51.3514% (1.00  10.0 10.00   1.61   7.24) =  98.160%  kept
        T QB    CYS   50 - HA    TRP   49   4.50 +/- 0.41   1.948% * 48.4012% (0.94   1.0 10.00   3.16   2.84) =   1.840%  kept
          QE    LYS+  74 - HA    CYS   50   9.52 +/- 1.60   0.030% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    TRP   49   9.04 +/- 1.03   0.038% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  12.30 +/- 1.36   0.006% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50  10.65 +/- 1.25   0.012% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  17.94 +/- 2.32   0.001% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  21.19 +/- 1.19   0.000% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  28.47 +/- 1.83   0.000% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  32.13 +/- 1.00   0.000% *  0.0388% (0.75   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 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 1.61, residual support = 7.24:
    * O T HA    CYS   50 - QB    CYS   50   2.28 +/- 0.12  97.541% * 98.7658% (1.00  10.0 10.00   1.61   7.24) =  99.981%  kept
        T HA    TRP   49 - QB    CYS   50   4.50 +/- 0.41   1.940% *  0.9343% (0.95   1.0 10.00   0.02   2.84) =   0.019%
          HA    ALA   47 - QB    CYS   50   5.64 +/- 0.66   0.512% *  0.0443% (0.45   1.0  1.00   0.02   6.76) =   0.000%
          HA1   GLY  109 - QB    CYS   50  13.94 +/- 1.63   0.003% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  13.14 +/- 1.26   0.003% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  15.30 +/- 1.68   0.001% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  25.04 +/- 1.24   0.000% *  0.0443% (0.45   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 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 = 223.7:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  95.658% * 99.8323% (1.00  10.0 10.00   7.07 223.69) =  99.999%  kept
          HA    ALA   91 - HD2   PRO   52   7.75 +/- 2.02   4.225% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HD2   PRO   52  13.09 +/- 1.01   0.087% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  15.79 +/- 1.20   0.027% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  21.37 +/- 0.82   0.004% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.16 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.53, residual support = 223.7:
    * O T HB2   PRO   52 - HD2   PRO   52   3.92 +/- 0.09  99.978% * 99.5699% (1.00  10.0 10.00   6.53 223.69) = 100.000%  kept
        T HG2   MET   96 - HD2   PRO   52  19.40 +/- 1.33   0.007% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HD2   PRO   52  17.23 +/- 0.88   0.015% *  0.0564% (0.57   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 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 223.7:
    * O T HB3   PRO   52 - HD2   PRO   52   3.97 +/- 0.09  92.078% * 98.1836% (1.00  10.0 10.00   6.65 223.69) =  99.997%  kept
          HG2   ARG+  54 - HD2   PRO   52   6.68 +/- 0.62   4.826% *  0.0368% (0.38   1.0  1.00   0.02   1.76) =   0.002%
          HG2   PRO   93 - HD2   PRO   52   8.18 +/- 1.61   2.833% *  0.0303% (0.31   1.0  1.00   0.02   0.53) =   0.001%
        T QB    LYS+  81 - HD2   PRO   52  14.94 +/- 1.17   0.037% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   52  12.06 +/- 1.88   0.202% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  23.83 +/- 1.82   0.002% *  0.9818% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  19.85 +/- 1.39   0.007% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  25.92 +/- 0.94   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  23.32 +/- 1.70   0.003% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  23.56 +/- 1.17   0.002% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  21.18 +/- 1.23   0.004% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  24.35 +/- 1.62   0.002% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  27.69 +/- 1.08   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.61 +/- 1.39   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.46, residual support = 223.7:
    * O T HG2   PRO   52 - HD2   PRO   52   2.44 +/- 0.25  98.613% * 99.6094% (1.00  10.0 10.00   6.46 223.69) =  99.999%  kept
          HG2   MET   92 - HD2   PRO   52   6.95 +/- 1.98   1.377% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD2   PRO   52  14.23 +/- 1.56   0.004% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  15.29 +/- 1.07   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.36 +/- 1.19   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  27.36 +/- 0.71   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  34.34 +/- 1.30   0.000% *  0.0644% (0.65   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 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.46, residual support = 223.7:
    * O T HG3   PRO   52 - HD2   PRO   52   2.73 +/- 0.25  99.691% * 98.5427% (1.00  10.0 10.00   6.46 223.69) = 100.000%  kept
        T HG2   PRO   58 - HD2   PRO   52  12.93 +/- 1.29   0.014% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   52   8.51 +/- 1.80   0.295% *  0.0304% (0.31   1.0  1.00   0.02   0.53) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  26.88 +/- 0.89   0.000% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  28.59 +/- 1.62   0.000% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  21.19 +/- 1.32   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  28.24 +/- 0.97   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  38.56 +/- 2.47   0.000% *  0.0966% (0.98   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 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 = 5.15, residual support = 223.7:
    * O T HB2   PRO   52 - HA    PRO   52   2.58 +/- 0.21  99.997% * 99.5699% (1.00  10.0 10.00   5.15 223.69) = 100.000%  kept
        T HG2   MET   96 - HA    PRO   52  20.17 +/- 1.11   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HA    PRO   52  15.75 +/- 1.04   0.002% *  0.0564% (0.57   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 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 223.7:
    * O T HB3   PRO   52 - HA    PRO   52   2.45 +/- 0.21  98.433% * 99.2796% (1.00  10.0 10.00   6.15 223.69) =  99.999%  kept
          HG2   ARG+  54 - HA    PRO   52   5.98 +/- 1.08   1.223% *  0.0373% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          HG2   PRO   93 - HA    PRO   52   7.23 +/- 1.73   0.339% *  0.0306% (0.31   1.0  1.00   0.02   0.53) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  17.91 +/- 1.01   0.001% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  14.46 +/- 1.65   0.003% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  18.76 +/- 1.43   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  21.85 +/- 2.07   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.75 +/- 1.33   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  20.40 +/- 0.94   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  24.31 +/- 1.23   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.57 +/- 1.32   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  26.89 +/- 1.40   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.17 +/- 1.22   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.74 +/- 1.23   0.000% *  0.0153% (0.15   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 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.7:
    * O T HG2   PRO   52 - HA    PRO   52   3.95 +/- 0.04  93.615% * 99.6094% (1.00  10.0 10.00   5.98 223.69) =  99.996%  kept
          HG2   MET   92 - HA    PRO   52   7.42 +/- 2.03   6.114% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          QG    GLU- 114 - HA    PRO   52  12.53 +/- 1.35   0.110% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  12.64 +/- 1.46   0.152% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  18.55 +/- 1.10   0.010% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  30.18 +/- 0.97   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  35.54 +/- 1.55   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 = 223.7:
    * O T HG3   PRO   52 - HA    PRO   52   3.90 +/- 0.04  97.223% * 98.7160% (1.00  10.0 10.00   5.97 223.69) =  99.993%  kept
        T HG2   PRO   58 - HA    PRO   52  10.84 +/- 1.67   0.607% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.006%
          HB2   PRO   93 - HA    PRO   52   8.21 +/- 1.69   2.166% *  0.0305% (0.31   1.0  1.00   0.02   0.53) =   0.001%
          HB2   GLU-  14 - HA    PRO   52  29.53 +/- 2.18   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  27.68 +/- 1.31   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  24.02 +/- 1.48   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.44 +/- 1.04   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  39.33 +/- 2.97   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.79 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.07, residual support = 223.7:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.615% * 99.4673% (1.00  10.0 10.00   7.07 223.69) = 100.000%  kept
          HA    SER   48 - HA    PRO   52  10.97 +/- 1.27   0.342% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    PRO   52  18.67 +/- 1.68   0.011% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  19.13 +/- 1.16   0.009% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    PRO   52  21.68 +/- 1.18   0.004% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  19.67 +/- 1.25   0.008% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  20.92 +/- 1.49   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  23.52 +/- 0.79   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  25.54 +/- 1.32   0.002% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  31.72 +/- 1.09   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.17 +/- 1.04   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  32.32 +/- 1.25   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.77 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 223.7:
    * O T HA    PRO   52 - HB2   PRO   52   2.58 +/- 0.21  99.469% * 99.4915% (1.00  10.0 10.00   5.15 223.69) = 100.000%  kept
          HA    ALA   91 - HB2   PRO   52   8.18 +/- 2.52   0.396% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HB2   PRO   52  10.04 +/- 1.51   0.063% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   9.77 +/- 0.78   0.044% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  11.67 +/- 0.61   0.014% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  13.54 +/- 2.15   0.009% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  20.17 +/- 1.11   0.001% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.06 +/- 0.82   0.003% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  17.15 +/- 0.74   0.001% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  22.59 +/- 1.54   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 = 6.23, residual support = 223.7:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  96.162% * 98.7825% (1.00  10.0 10.00   6.23 223.69) =  99.999%  kept
          HG2   PRO   93 - HB2   PRO   52   5.99 +/- 2.37   1.825% *  0.0305% (0.31   1.0  1.00   0.02   0.53) =   0.001%
          HG12  ILE  103 - HG2   MET   96   4.65 +/- 2.47   1.865% *  0.0260% (0.26   1.0  1.00   0.02   8.56) =   0.001%
          HB    ILE  103 - HG2   MET   96   6.33 +/- 1.61   0.078% *  0.0119% (0.12   1.0  1.00   0.02   8.56) =   0.000%
          HB    VAL   41 - HG2   MET   96   6.84 +/- 0.91   0.036% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   7.89 +/- 0.86   0.016% *  0.0371% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.71 +/- 0.84   0.008% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.13 +/- 0.94   0.006% *  0.0045% (0.05   1.0  1.00   0.02   0.14) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  12.74 +/- 2.41   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  16.80 +/- 1.56   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  19.21 +/- 1.29   0.000% *  0.2902% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  15.01 +/- 0.76   0.000% *  0.0448% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  18.92 +/- 2.00   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  21.88 +/- 2.36   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  14.20 +/- 0.87   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.95 +/- 1.47   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  22.37 +/- 2.55   0.000% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  14.36 +/- 0.65   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  13.98 +/- 0.72   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  19.37 +/- 1.99   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  19.12 +/- 1.56   0.000% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  23.28 +/- 2.29   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  23.12 +/- 2.46   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  19.90 +/- 1.80   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.34 +/- 1.32   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  26.97 +/- 1.52   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  24.56 +/- 2.08   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  26.58 +/- 1.54   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 223.7:
    * O T HG2   PRO   52 - HB2   PRO   52   2.66 +/- 0.29  90.567% * 99.2053% (1.00  10.0 10.00   6.10 223.69) =  99.993%  kept
          HG2   MET   92 - HB2   PRO   52   5.73 +/- 2.68   9.383% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.007%
          QG    GLU- 114 - HB2   PRO   52  11.69 +/- 2.02   0.017% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  18.55 +/- 1.81   0.001% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.63 +/- 1.41   0.014% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  12.33 +/- 0.67   0.010% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  17.89 +/- 1.22   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  16.43 +/- 0.99   0.002% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.84 +/- 0.77   0.002% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  19.16 +/- 0.80   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  19.81 +/- 0.71   0.001% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  29.28 +/- 1.30   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  20.16 +/- 0.97   0.001% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  34.84 +/- 2.08   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.09, residual support = 223.7:
    * O T HG3   PRO   52 - HB2   PRO   52   2.50 +/- 0.24  98.705% * 98.0617% (1.00  10.0 10.00   6.09 223.69) =  99.999%  kept
          HB2   PRO   93 - HB2   PRO   52   7.16 +/- 2.36   1.253% *  0.0303% (0.31   1.0  1.00   0.02   0.53) =   0.000%
        T HG2   PRO   58 - HB2   PRO   52  11.86 +/- 1.60   0.024% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  19.28 +/- 2.24   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  19.80 +/- 1.02   0.000% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.77 +/- 0.88   0.007% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  14.10 +/- 0.77   0.004% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  14.09 +/- 1.21   0.004% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  23.07 +/- 1.85   0.000% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  20.16 +/- 1.19   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  29.69 +/- 2.31   0.000% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  22.93 +/- 1.94   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  27.76 +/- 1.51   0.000% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.61 +/- 1.63   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  31.66 +/- 2.31   0.000% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  39.55 +/- 2.44   0.000% *  0.0961% (0.98   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 = 6.53, residual support = 223.7:
    * O T HD2   PRO   52 - HB2   PRO   52   3.92 +/- 0.09  99.233% * 99.0230% (1.00  10.0 10.00   6.53 223.69) = 100.000%  kept
          HA    SER   48 - HB2   PRO   52  10.98 +/- 0.84   0.249% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  11.53 +/- 0.72   0.164% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  19.40 +/- 1.33   0.007% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  16.86 +/- 2.60   0.022% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  12.33 +/- 0.73   0.109% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  14.49 +/- 0.87   0.042% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  17.68 +/- 1.93   0.014% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  15.40 +/- 0.79   0.028% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  15.08 +/- 0.72   0.032% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  15.51 +/- 0.73   0.027% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  22.08 +/- 1.40   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  19.69 +/- 1.35   0.007% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  19.42 +/- 0.89   0.007% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  19.39 +/- 1.07   0.007% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  22.23 +/- 1.62   0.003% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  20.78 +/- 2.06   0.005% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  17.53 +/- 1.20   0.014% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.45 +/- 1.20   0.005% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  16.83 +/- 0.72   0.016% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  25.79 +/- 1.31   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  30.72 +/- 1.87   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  29.27 +/- 1.62   0.001% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.58 +/- 1.75   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 6.15, residual support = 223.7:
    * O T HA    PRO   52 - HB3   PRO   52   2.45 +/- 0.21  99.795% * 99.6990% (1.00  10.0 10.00   6.15 223.69) = 100.000%  kept
          HA    ALA   91 - HB3   PRO   52   8.06 +/- 1.90   0.140% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HB3   PRO   52  10.07 +/- 1.12   0.029% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  10.76 +/- 1.24   0.026% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  17.91 +/- 1.01   0.001% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  13.91 +/- 1.09   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  13.21 +/- 0.56   0.005% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  23.12 +/- 0.98   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  21.48 +/- 1.06   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  18.95 +/- 0.78   0.001% *  0.0023% (0.02   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 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 223.7:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.4073% (1.00  10.0 10.00   6.23 223.69) = 100.000%  kept
        T HG2   MET   96 - HB3   PRO   52  19.21 +/- 1.29   0.000% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  16.80 +/- 1.56   0.000% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  15.01 +/- 0.76   0.000% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  16.94 +/- 1.32   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  24.13 +/- 0.68   0.000% *  0.0065% (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 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 = 6.18, residual support = 223.7:
    * O T HG2   PRO   52 - HB3   PRO   52   2.57 +/- 0.32  92.999% * 99.4355% (1.00  10.0 10.00   6.18 223.69) =  99.995%  kept
          HG2   MET   92 - HB3   PRO   52   5.62 +/- 2.05   6.682% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  79 - QB    LYS+  81   6.96 +/- 0.21   0.281% *  0.0091% (0.09   1.0  1.00   0.02   1.50) =   0.000%
          QG    GLU- 114 - HB3   PRO   52  11.93 +/- 1.44   0.017% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  14.95 +/- 1.49   0.004% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  14.19 +/- 1.54   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  18.18 +/- 1.19   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  13.29 +/- 0.81   0.006% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  14.30 +/- 1.54   0.005% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  19.25 +/- 1.08   0.001% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  29.68 +/- 0.99   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  23.42 +/- 1.38   0.000% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  35.46 +/- 1.42   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  25.36 +/- 0.77   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 223.7:
    * O T HG3   PRO   52 - HB3   PRO   52   2.64 +/- 0.28  99.465% * 98.1909% (1.00  10.0 10.00   6.17 223.69) =  99.999%  kept
        T HB2   PRO   93 - HB3   PRO   52   7.71 +/- 1.27   0.261% *  0.3031% (0.31   1.0 10.00   0.02   0.53) =   0.001%
        T HG2   PRO   58 - HB3   PRO   52  12.37 +/- 1.81   0.063% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - QB    LYS+  81  15.43 +/- 1.76   0.004% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   7.97 +/- 0.85   0.203% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  22.89 +/- 1.28   0.000% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  15.76 +/- 1.22   0.003% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  30.40 +/- 2.12   0.000% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  23.27 +/- 1.54   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  17.29 +/- 0.57   0.002% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  28.47 +/- 1.32   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  25.39 +/- 1.06   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  28.10 +/- 1.00   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  40.28 +/- 2.67   0.000% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  33.58 +/- 2.45   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  28.51 +/- 0.66   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 223.7:
    * O T HD2   PRO   52 - HB3   PRO   52   3.97 +/- 0.09  54.619% * 97.9761% (1.00  10.0 10.00   6.65 223.69) =  99.996%  kept
          HB2   SER   82 - QB    LYS+  81   4.42 +/- 0.21  29.888% *  0.0038% (0.04   1.0  1.00   0.02  12.65) =   0.002%
          QB    SER   85 - QB    LYS+  81   5.01 +/- 0.28  14.496% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB3   PRO   52  11.09 +/- 1.28   0.152% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  81   8.49 +/- 0.41   0.607% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  81  14.94 +/- 1.17   0.022% *  0.1124% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81  11.36 +/- 1.76   0.165% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   PRO   52  16.89 +/- 1.87   0.012% *  0.0904% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   PRO   52  17.70 +/- 1.42   0.008% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QB    LYS+  81  20.06 +/- 0.51   0.003% *  0.1063% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  17.07 +/- 0.53   0.009% *  0.0280% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  31.27 +/- 1.10   0.000% *  0.9268% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  22.80 +/- 1.34   0.002% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  20.37 +/- 1.22   0.003% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  29.80 +/- 1.02   0.000% *  0.2443% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  22.40 +/- 1.06   0.002% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  21.32 +/- 1.91   0.003% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  22.24 +/- 0.66   0.002% *  0.0173% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  26.53 +/- 1.40   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  32.20 +/- 1.19   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  19.15 +/- 0.52   0.004% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  25.34 +/- 0.70   0.001% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  25.85 +/- 0.56   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  27.61 +/- 1.06   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.77 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.7:
    * O T HA    PRO   52 - HG2   PRO   52   3.95 +/- 0.04  86.029% * 99.8323% (1.00  10.0 10.00   5.98 223.69) =  99.995%  kept
          HA    ALA   91 - HG2   PRO   52   6.52 +/- 2.26  13.755% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HA    LYS+ 111 - HG2   PRO   52  11.62 +/- 1.18   0.169% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   52  14.40 +/- 1.50   0.043% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  21.68 +/- 1.18   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 223.7:
    * O T HB2   PRO   52 - HG2   PRO   52   2.66 +/- 0.29  99.998% * 99.5699% (1.00  10.0 10.00   6.10 223.69) = 100.000%  kept
        T HG2   MET   96 - HG2   PRO   52  18.55 +/- 1.81   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG2   PRO   52  17.57 +/- 1.14   0.001% *  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 = 6.18, residual support = 223.7:
    * O T HB3   PRO   52 - HG2   PRO   52   2.57 +/- 0.32  98.164% * 99.2796% (1.00  10.0 10.00   6.18 223.69) =  99.999%  kept
          HG2   PRO   93 - HG2   PRO   52   6.92 +/- 1.70   1.653% *  0.0306% (0.31   1.0  1.00   0.02   0.53) =   0.001%
          HG2   ARG+  54 - HG2   PRO   52   8.23 +/- 0.57   0.129% *  0.0373% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  11.08 +/- 2.08   0.046% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  14.95 +/- 1.49   0.004% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  19.95 +/- 1.71   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  22.37 +/- 2.10   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  23.16 +/- 1.69   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  23.43 +/- 2.10   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  20.16 +/- 1.46   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  23.22 +/- 1.98   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  27.89 +/- 1.42   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.16 +/- 1.26   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.70 +/- 1.73   0.000% *  0.0153% (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 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 = 223.7:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.951% * 98.7160% (1.00  10.0 10.00   5.99 223.69) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   7.67 +/- 1.82   0.048% *  0.0305% (0.31   1.0  1.00   0.02   0.53) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  13.35 +/- 1.48   0.001% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  21.40 +/- 1.64   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  29.58 +/- 1.91   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  28.54 +/- 1.17   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  26.96 +/- 1.26   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  39.55 +/- 2.41   0.000% *  0.0968% (0.98   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 = 6.46, residual support = 223.7:
    * O T HD2   PRO   52 - HG2   PRO   52   2.44 +/- 0.25  99.950% * 99.4673% (1.00  10.0 10.00   6.46 223.69) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52   9.13 +/- 1.07   0.044% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  15.55 +/- 2.27   0.003% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  16.18 +/- 1.73   0.002% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  20.42 +/- 1.41   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  19.69 +/- 1.19   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  22.85 +/- 1.05   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  22.30 +/- 1.71   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  26.24 +/- 1.20   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  30.13 +/- 1.45   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  28.36 +/- 1.26   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  31.15 +/- 1.39   0.000% *  0.0153% (0.15   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 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.7:
    * O T HA    PRO   52 - HG3   PRO   52   3.90 +/- 0.04  88.228% * 98.8988% (1.00  10.0 10.00   5.97 223.69) =  99.991%  kept
        T HA    PRO   52 - HG2   PRO   58  10.84 +/- 1.67   0.594% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.005%
          HA    ALA   91 - HG3   PRO   52   7.07 +/- 2.70  10.722% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+ 111 - HG2   PRO   58  12.28 +/- 2.70   0.199% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG3   PRO   52  11.91 +/- 1.45   0.158% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  14.96 +/- 2.00   0.037% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   58  14.49 +/- 1.63   0.044% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  17.38 +/- 1.21   0.013% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  22.44 +/- 1.58   0.003% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  22.30 +/- 0.97   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 0.32 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.09, residual support = 223.7:
    * O T HB2   PRO   52 - HG3   PRO   52   2.50 +/- 0.24  96.809% * 98.4337% (1.00  10.0 10.00   6.09 223.69) =  99.998%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.01 +/- 1.06   3.164% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   52 - HG2   PRO   58  11.86 +/- 1.60   0.024% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  19.28 +/- 2.24   0.001% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  19.80 +/- 1.02   0.000% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  18.06 +/- 1.43   0.001% *  0.0557% (0.57   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 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 223.7:
    * O T HB3   PRO   52 - HG3   PRO   52   2.64 +/- 0.28  97.504% * 97.4419% (1.00  10.0 10.00   6.17 223.69) =  99.993%  kept
        T HG2   PRO   93 - HG3   PRO   52   7.51 +/- 1.98   2.048% *  0.3008% (0.31   1.0 10.00   0.02   0.53) =   0.006%
        T HB3   PRO   52 - HG2   PRO   58  12.37 +/- 1.81   0.062% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - HG2   PRO   58  11.09 +/- 1.90   0.028% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.26 +/- 1.63   0.153% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.54 +/- 0.56   0.113% *  0.0366% (0.38   1.0  1.00   0.02   1.76) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  10.64 +/- 1.34   0.039% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  13.34 +/- 1.84   0.010% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  11.56 +/- 2.60   0.031% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  15.43 +/- 1.76   0.003% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.91 +/- 1.13   0.002% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  18.04 +/- 1.32   0.001% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  20.44 +/- 1.99   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.89 +/- 1.28   0.000% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  23.92 +/- 2.43   0.000% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  23.05 +/- 2.51   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  22.43 +/- 1.86   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  21.44 +/- 1.10   0.000% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  20.80 +/- 2.03   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  23.91 +/- 2.10   0.000% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  23.45 +/- 2.04   0.000% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  23.88 +/- 2.43   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.13 +/- 1.26   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.79 +/- 1.14   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  28.49 +/- 1.34   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  23.75 +/- 1.81   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.84 +/- 1.47   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  25.30 +/- 2.05   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.09 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.984, support = 5.96, residual support = 222.3:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  85.832% * 86.8129% (1.00  10.0 10.00   5.99 223.69) =  98.144%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.47 +/- 0.28  12.989% * 10.8440% (0.12  10.0 10.00   4.26 146.75) =   1.855%  kept
          HG2   MET   92 - HG3   PRO   52   5.75 +/- 2.61   1.175% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - HG2   PRO   58  13.35 +/- 1.48   0.001% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  12.05 +/- 1.70   0.001% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  13.30 +/- 2.02   0.001% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.34 +/- 1.41   0.000% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  14.77 +/- 1.52   0.000% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  16.76 +/- 1.37   0.000% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  21.60 +/- 1.40   0.000% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  31.17 +/- 1.94   0.000% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  35.26 +/- 1.85   0.000% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.49 +/- 1.45   0.000% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.97 +/- 1.11   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 = 6.46, residual support = 223.7:
    * O T HD2   PRO   52 - HG3   PRO   52   2.73 +/- 0.25  99.876% * 96.1754% (1.00  10.0 10.00   6.46 223.69) = 100.000%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.93 +/- 1.29   0.014% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   PRO   52   9.60 +/- 0.84   0.068% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  12.85 +/- 0.80   0.011% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  16.10 +/- 2.72   0.004% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  16.31 +/- 1.83   0.004% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  13.24 +/- 1.45   0.010% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  14.30 +/- 0.76   0.006% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  16.68 +/- 2.09   0.002% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  17.59 +/- 1.34   0.002% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  29.24 +/- 1.06   0.000% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  30.90 +/- 1.84   0.000% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  23.94 +/- 1.34   0.000% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  21.04 +/- 1.84   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  29.11 +/- 1.62   0.000% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  28.62 +/- 1.09   0.000% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  20.38 +/- 1.31   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  23.42 +/- 1.46   0.000% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  28.54 +/- 1.16   0.000% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  23.84 +/- 1.19   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  22.81 +/- 2.11   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  31.91 +/- 1.66   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  26.86 +/- 1.37   0.000% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  27.51 +/- 1.19   0.000% *  0.0266% (0.28   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 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 = 44.1:
    * O T HB2   CYS   53 - HA    CYS   53   2.96 +/- 0.09  98.356% * 99.5207% (1.00  10.0 10.00   2.96  44.12) =  99.999%  kept
          HD3   PRO   52 - HA    CYS   53   6.29 +/- 0.05   1.082% *  0.0684% (0.69   1.0  1.00   0.02  54.10) =   0.001%
          HD2   PRO   58 - HA    CYS   53   7.39 +/- 0.86   0.559% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    CYS   53  20.71 +/- 0.76   0.001% *  0.1970% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  18.41 +/- 0.67   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  23.62 +/- 1.11   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.67 +/- 1.28   0.000% *  0.0409% (0.41   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 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.28, residual support = 44.1:
    * O T HB3   CYS   53 - HA    CYS   53   2.68 +/- 0.15  76.460% * 99.5685% (1.00  10.0 10.00   3.28  44.12) =  99.972%  kept
          HD3   PRO   93 - HA    CYS   53   4.49 +/- 1.64  17.082% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.021%
          QB    PHE   55 - HA    CYS   53   4.19 +/- 0.39   6.104% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.007%
          HB2   PHE   59 - HA    CYS   53   8.09 +/- 1.51   0.231% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    CYS   53   7.88 +/- 0.36   0.122% *  0.0987% (0.99   1.0  1.00   0.02  32.28) =   0.000%
          HD3   PRO   68 - HA    CYS   53  21.56 +/- 0.96   0.000% *  0.0919% (0.92   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 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.1:
    * O T HA    CYS   53 - HB2   CYS   53   2.96 +/- 0.09  99.991% * 98.9901% (1.00  10.0 10.00   2.96  44.12) = 100.000%  kept
          HA    ILE   19 - HB2   CYS   53  16.77 +/- 1.20   0.003% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB2   CYS   53  23.24 +/- 0.78   0.000% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   CYS   53  18.96 +/- 0.95   0.002% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  16.78 +/- 1.26   0.004% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  22.40 +/- 0.96   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.35, residual support = 44.1:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.793% * 99.5685% (1.00  10.0 10.00   3.35  44.12) = 100.000%  kept
          HD3   PRO   93 - HB2   CYS   53   6.24 +/- 1.57   0.120% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   CYS   53   6.11 +/- 0.23   0.057% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   7.19 +/- 0.55   0.024% *  0.0987% (0.99   1.0  1.00   0.02  32.28) =   0.000%
          HB2   PHE   59 - HB2   CYS   53   9.75 +/- 1.31   0.005% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  22.38 +/- 1.22   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 = 3.28, residual support = 44.1:
    * O T HA    CYS   53 - HB3   CYS   53   2.68 +/- 0.15  99.994% * 99.7562% (1.00  10.0 10.00   3.28  44.12) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  16.93 +/- 1.28   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  16.44 +/- 1.47   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  18.56 +/- 1.21   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  23.05 +/- 0.85   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  22.31 +/- 0.91   0.000% *  0.0486% (0.49   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 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.35, residual support = 44.1:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.899% * 99.6975% (1.00  10.0 10.00   3.35  44.12) = 100.000%  kept
          HD3   PRO   52 - HB3   CYS   53   5.85 +/- 0.67   0.089% *  0.0685% (0.69   1.0  1.00   0.02  54.10) =   0.000%
          HD2   PRO   58 - HB3   CYS   53   8.52 +/- 1.20   0.012% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  17.47 +/- 0.94   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  22.91 +/- 1.22   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  19.42 +/- 1.14   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  27.03 +/- 1.43   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 = 5.73, residual support = 166.1:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.75 +/- 0.10  95.149% * 98.6035% (1.00  10.0 10.00   5.73 166.11) =  99.998%  kept
          HB2   PRO   93 - HA    LEU  115   7.37 +/- 2.55   2.606% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    ARG+  54   8.57 +/- 2.35   0.678% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    LEU  115   6.12 +/- 1.05   1.461% *  0.0263% (0.27   1.0  1.00   0.02   8.14) =   0.000%
          HB    VAL  108 - HA    LEU  115   8.96 +/- 0.56   0.091% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.82 +/- 0.90   0.004% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  16.30 +/- 2.26   0.003% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  15.23 +/- 0.90   0.003% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  22.34 +/- 2.22   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  24.91 +/- 1.97   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  22.88 +/- 2.38   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  20.42 +/- 0.85   0.001% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  22.13 +/- 1.16   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.63 +/- 1.77   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  22.74 +/- 1.46   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  25.87 +/- 1.46   0.000% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.10 +/- 1.32   0.000% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  34.63 +/- 3.05   0.000% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  30.35 +/- 1.97   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  34.70 +/- 1.99   0.000% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.13 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 166.1:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.86 +/- 0.62  96.859% * 96.1276% (1.00  10.0 10.00   5.69 166.11) =  99.997%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.89 +/- 0.31   0.415% *  0.3608% (0.38   1.0 10.00   0.02   1.76) =   0.002%
          HB    ILE   56 - HA    ARG+  54   6.64 +/- 0.54   1.429% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    LEU  115   8.32 +/- 0.89   0.292% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   8.03 +/- 0.63   0.342% *  0.0247% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   7.67 +/- 0.90   0.484% *  0.0122% (0.13   1.0  1.00   0.02   0.40) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  13.02 +/- 2.03   0.042% *  0.1110% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  14.82 +/- 1.29   0.014% *  0.2958% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  18.09 +/- 1.74   0.004% *  0.8338% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  18.02 +/- 2.69   0.006% *  0.2932% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  11.28 +/- 1.25   0.066% *  0.0111% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  23.26 +/- 1.57   0.001% *  0.9528% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  16.39 +/- 1.50   0.007% *  0.0887% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  16.18 +/- 1.47   0.006% *  0.0803% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  14.96 +/- 1.24   0.011% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  20.87 +/- 0.92   0.001% *  0.2566% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  19.80 +/- 1.21   0.002% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  17.19 +/- 1.56   0.005% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  19.83 +/- 1.52   0.002% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.66 +/- 1.12   0.010% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  24.41 +/- 1.88   0.001% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  24.32 +/- 1.97   0.000% *  0.0928% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  21.89 +/- 0.91   0.001% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  22.36 +/- 2.23   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  23.19 +/- 1.83   0.001% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  20.73 +/- 0.85   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  23.48 +/- 1.39   0.001% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  30.86 +/- 1.72   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.23 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.28, residual support = 150.7:
    *   T HD2   ARG+  54 - HA    ARG+  54   4.03 +/- 0.65  56.916% * 72.3854% (1.00 10.00   5.41 166.11) =  89.425%  kept
          HB3   CYS   53 - HA    ARG+  54   5.05 +/- 0.58  19.469% * 14.9059% (0.99  1.00   4.16  32.28) =   6.299%  kept
          QB    PHE   55 - HA    ARG+  54   5.06 +/- 0.09  16.094% * 12.2292% (0.80  1.00   4.22   3.53) =   4.272%  kept
          HD3   PRO   93 - HA    ARG+  54   8.64 +/- 1.47   1.441% *  0.0649% (0.90  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    LEU  115   6.63 +/- 0.76   3.982% *  0.0117% (0.16  1.00   0.02  30.29) =   0.001%
          HB2   PHE   59 - HA    ARG+  54   8.79 +/- 0.98   0.720% *  0.0381% (0.53  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    LEU  115  10.01 +/- 1.99   0.686% *  0.0200% (0.28  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HA    LEU  115   9.57 +/- 1.30   0.542% *  0.0178% (0.25  1.00   0.02   4.38) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  16.22 +/- 0.96   0.015% *  0.2227% (0.31 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  12.60 +/- 1.62   0.110% *  0.0221% (0.30  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  16.32 +/- 1.94   0.020% *  0.0193% (0.27  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  21.60 +/- 1.58   0.003% *  0.0628% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 166.1:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.75 +/- 0.10  99.975% * 98.5625% (1.00  10.0 10.00   5.73 166.11) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.82 +/- 0.90   0.004% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  19.10 +/- 2.07   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  14.08 +/- 1.95   0.010% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  24.91 +/- 1.97   0.000% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  18.22 +/- 0.78   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  17.60 +/- 2.14   0.002% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  25.87 +/- 1.46   0.000% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  18.52 +/- 1.51   0.001% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  26.26 +/- 2.10   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  27.94 +/- 0.94   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  20.64 +/- 3.74   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  19.98 +/- 3.01   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  28.90 +/- 1.92   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  25.33 +/- 2.67   0.000% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  34.63 +/- 3.05   0.000% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  34.70 +/- 1.99   0.000% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  31.07 +/- 2.54   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  35.20 +/- 2.01   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  23.86 +/- 2.72   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  26.69 +/- 1.13   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  26.20 +/- 2.92   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  30.49 +/- 4.19   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  29.69 +/- 3.88   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  29.87 +/- 1.74   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  36.09 +/- 2.57   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  38.23 +/- 2.09   0.000% *  0.0017% (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 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 0.995, support = 4.78, residual support = 165.3:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.58 +/- 0.43  95.119% * 85.7680% (1.00  10.0 10.00   4.80 166.11) =  99.512%  kept
          QB    PHE   55 - HB2   ARG+  54   4.96 +/- 0.43   3.327% * 11.9623% (0.80   1.0  1.00   3.48   3.53) =   0.485%
          HB3   CYS   53 - HB2   ARG+  54   6.12 +/- 0.85   1.394% *  0.0850% (0.99   1.0  1.00   0.02  32.28) =   0.001%
        T HD3   PRO   93 - HB2   ARG+  54   9.29 +/- 1.59   0.130% *  0.7692% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HB2   ARG+  54  10.83 +/- 1.04   0.025% *  0.0451% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  14.81 +/- 1.54   0.004% *  0.1094% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  23.82 +/- 1.70   0.000% *  0.7440% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  20.96 +/- 2.24   0.001% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  27.27 +/- 3.05   0.000% *  0.1261% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  28.45 +/- 1.65   0.000% *  0.1131% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  21.96 +/- 1.34   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  25.20 +/- 2.12   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  25.17 +/- 2.25   0.000% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  36.76 +/- 4.17   0.000% *  0.0829% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  38.23 +/- 2.15   0.000% *  0.0744% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  33.68 +/- 2.89   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  31.18 +/- 1.97   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  35.22 +/- 2.23   0.000% *  0.0082% (0.10   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 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 166.1:
    *   T HA    ARG+  54 - HD2   ARG+  54   4.03 +/- 0.65  99.937% * 99.0328% (1.00 10.00   5.41 166.11) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  16.22 +/- 0.96   0.032% *  0.6007% (0.61 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  20.52 +/- 2.36   0.016% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  19.56 +/- 0.92   0.010% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  27.56 +/- 2.45   0.002% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  28.70 +/- 1.29   0.001% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  29.99 +/- 2.42   0.001% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  32.51 +/- 2.88   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  36.28 +/- 2.52   0.000% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.07 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 166.1:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.58 +/- 0.43  99.965% * 97.9068% (1.00  10.0 10.00   4.80 166.11) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  11.90 +/- 1.99   0.032% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  18.12 +/- 1.17   0.001% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  19.31 +/- 1.95   0.001% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  25.87 +/- 2.92   0.000% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  27.27 +/- 3.05   0.000% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  25.55 +/- 2.70   0.000% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  25.49 +/- 2.32   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  36.76 +/- 4.17   0.000% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  33.84 +/- 2.12   0.000% *  0.0784% (0.80   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 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.64, residual support = 166.1:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.85 +/- 0.16  99.774% * 97.2335% (1.00  10.0 10.00   4.64 166.11) =  99.999%  kept
        T HB3   PRO   52 - HD2   ARG+  54   8.95 +/- 0.92   0.147% *  0.3649% (0.38   1.0 10.00   0.02   1.76) =   0.001%
          HB    ILE   56 - HD2   ARG+  54   9.75 +/- 0.71   0.073% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  19.83 +/- 2.16   0.001% *  0.8434% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  26.08 +/- 2.22   0.000% *  0.9637% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  18.61 +/- 1.83   0.002% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  19.19 +/- 1.21   0.001% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.20 +/- 0.99   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  22.43 +/- 1.59   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  27.11 +/- 2.51   0.000% *  0.0938% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  27.81 +/- 1.90   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  25.52 +/- 2.71   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  26.61 +/- 1.78   0.000% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  34.23 +/- 2.06   0.000% *  0.0270% (0.28   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 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 = 3.59, residual support = 20.5:
    * O T QB    PHE   55 - HA    PHE   55   2.46 +/- 0.08  98.985% * 99.2105% (1.00  10.0 10.00   3.59  20.49) =  99.999%  kept
          HD2   ARG+  54 - HA    PHE   55   5.71 +/- 0.53   0.754% *  0.0794% (0.80   1.0  1.00   0.02   3.53) =   0.001%
          HB3   CYS   53 - HA    PHE   55   7.94 +/- 0.29   0.090% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   55   8.92 +/- 1.43   0.078% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    PHE   55   8.43 +/- 0.97   0.076% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  16.89 +/- 0.85   0.001% *  0.2335% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  12.65 +/- 1.45   0.007% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.52 +/- 0.83   0.006% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  16.47 +/- 0.57   0.001% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  16.56 +/- 1.25   0.001% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  22.02 +/- 1.70   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  21.80 +/- 1.77   0.000% *  0.0187% (0.19   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 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 20.5:
    * O T HA    PHE   55 - QB    PHE   55   2.46 +/- 0.08  97.808% * 99.2581% (1.00  10.0 10.00   3.59  20.49) =  99.998%  kept
          HA    ALA  110 - QB    PHE   55   6.85 +/- 2.76   2.187% *  0.0861% (0.87   1.0  1.00   0.02   0.16) =   0.002%
        T HA    VAL   42 - QB    PHE   55  16.89 +/- 0.85   0.001% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    PHE   55  13.46 +/- 1.35   0.005% *  0.0939% (0.95   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 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 = 4.49, residual support = 124.1:
    * O T HB    ILE   56 - HA    ILE   56   2.54 +/- 0.18  99.145% * 98.8500% (1.00  10.0 10.00   4.49 124.14) =  99.997%  kept
        T HB3   PRO   58 - HA    ILE   56   6.22 +/- 0.97   0.619% *  0.4812% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HA    ILE   56   7.60 +/- 1.05   0.211% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  11.86 +/- 1.16   0.014% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  13.86 +/- 1.88   0.006% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  15.88 +/- 1.53   0.002% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  18.03 +/- 1.27   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  20.63 +/- 1.30   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.39 +/- 1.93   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  19.90 +/- 1.66   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  21.83 +/- 2.26   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  23.81 +/- 1.75   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  28.29 +/- 1.77   0.000% *  0.0954% (0.97   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 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 124.1:
    * O   QG2   ILE   56 - HA    ILE   56   2.88 +/- 0.36  99.935% * 98.4757% (1.00  10.0  1.00   4.73 124.14) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  12.55 +/- 0.94   0.022% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  12.47 +/- 1.69   0.035% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  19.90 +/- 1.57   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.25 +/- 1.53   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  29.56 +/- 1.94   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  24.30 +/- 1.63   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.34 +/- 1.57   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  19.38 +/- 1.85   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  21.10 +/- 2.31   0.001% *  0.0172% (0.18   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 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 124.1:
    * O T QG1   ILE   56 - HA    ILE   56   2.83 +/- 0.51  99.941% * 97.9351% (1.00  10.0 10.00   3.76 124.14) = 100.000%  kept
        T QD    LYS+ 106 - HA    ILE   56  15.36 +/- 2.05   0.005% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  10.59 +/- 1.05   0.047% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  22.33 +/- 1.90   0.001% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  20.81 +/- 1.61   0.001% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  16.93 +/- 1.57   0.003% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  17.51 +/- 1.81   0.003% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.14 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 124.1:
    * O T HA    ILE   56 - HB    ILE   56   2.54 +/- 0.18  99.717% * 98.4172% (1.00  10.0 10.00   4.49 124.14) =  99.999%  kept
        T HA    PRO   58 - HB    ILE   56   7.56 +/- 1.08   0.255% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB    ILE   56  10.33 +/- 0.90   0.025% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  17.24 +/- 1.53   0.001% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  21.72 +/- 1.40   0.000% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  21.04 +/- 1.22   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  21.47 +/- 1.32   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  27.40 +/- 1.44   0.000% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  27.78 +/- 1.64   0.000% *  0.0245% (0.25   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 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 = 124.1:
    * O T QG2   ILE   56 - HB    ILE   56   2.12 +/- 0.01  99.983% * 98.4757% (1.00  10.0 10.00   5.58 124.14) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56  11.10 +/- 1.36   0.006% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  12.09 +/- 1.62   0.010% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  19.23 +/- 1.18   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  28.77 +/- 1.48   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.92 +/- 1.23   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  23.31 +/- 1.09   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.86 +/- 1.45   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.39 +/- 1.47   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  20.68 +/- 1.73   0.000% *  0.0172% (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 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 124.1:
    * O T QG1   ILE   56 - HB    ILE   56   2.30 +/- 0.15  99.924% * 98.7886% (1.00  10.0 10.00   4.52 124.14) = 100.000%  kept
        T QD    LYS+ 106 - HB    ILE   56  13.74 +/- 1.89   0.004% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    ILE   56   8.77 +/- 1.60   0.069% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  19.95 +/- 1.15   0.000% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  15.26 +/- 1.88   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  16.94 +/- 1.48   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  21.26 +/- 1.37   0.000% *  0.0968% (0.98   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 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 124.1:
    * O T HB    ILE   56 - QG2   ILE   56   2.12 +/- 0.01  99.690% * 98.4311% (1.00  10.0 10.00   5.58 124.14) = 100.000%  kept
          HG2   ARG+  54 - QG2   ILE   56   6.55 +/- 0.77   0.149% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   7.07 +/- 0.54   0.082% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG2   ILE   56   7.98 +/- 1.34   0.054% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   9.92 +/- 1.91   0.016% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  12.97 +/- 1.89   0.003% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  12.12 +/- 1.19   0.003% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  22.67 +/- 1.71   0.000% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  15.48 +/- 2.16   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  17.31 +/- 2.45   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  16.49 +/- 2.04   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  16.88 +/- 1.33   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  18.88 +/- 2.08   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.73, residual support = 124.1:
    * O T QG1   ILE   56 - QG2   ILE   56   2.19 +/- 0.19  99.818% * 98.7886% (1.00  10.0 10.00   4.73 124.14) = 100.000%  kept
        T QD    LYS+ 106 - QG2   ILE   56  11.26 +/- 1.84   0.008% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG2   ILE   56   6.88 +/- 1.31   0.164% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  11.94 +/- 2.32   0.006% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  16.44 +/- 1.33   0.001% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  13.44 +/- 2.39   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  17.44 +/- 1.73   0.000% *  0.0968% (0.98   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 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 124.1:
    * O T HA    ILE   56 - QG1   ILE   56   2.83 +/- 0.51  98.348% * 98.1263% (1.00  10.0 10.00   3.76 124.14) =  99.998%  kept
        T HA    ASP- 113 - QG1   ILE   56   8.74 +/- 1.05   0.215% *  0.6348% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG1   ILE   56   6.34 +/- 0.80   1.420% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  17.95 +/- 1.47   0.002% *  0.9282% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  14.30 +/- 0.54   0.009% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  17.33 +/- 1.35   0.003% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  18.06 +/- 1.19   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  23.04 +/- 1.48   0.000% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  23.66 +/- 1.74   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.09 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 124.1:
    * O T HB    ILE   56 - QG1   ILE   56   2.30 +/- 0.15  99.598% * 98.6066% (1.00  10.0 10.00   4.52 124.14) = 100.000%  kept
        T QB    LYS+ 106 - QG1   ILE   56  10.02 +/- 1.40   0.023% *  0.7536% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG1   ILE   56   6.93 +/- 0.89   0.286% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   8.33 +/- 0.87   0.052% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG1   ILE   56   9.29 +/- 0.82   0.028% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  11.75 +/- 1.05   0.007% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  14.54 +/- 1.04   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  17.19 +/- 0.85   0.001% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.14 +/- 1.57   0.001% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  16.74 +/- 1.65   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  16.90 +/- 1.63   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  19.64 +/- 1.41   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  23.16 +/- 1.40   0.000% *  0.0952% (0.97   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 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 124.1:
    * O T QG2   ILE   56 - QG1   ILE   56   2.19 +/- 0.19  99.812% * 98.4757% (1.00  10.0 10.00   4.73 124.14) = 100.000%  kept
          HG2   LYS+  74 - QG1   ILE   56  10.03 +/- 1.56   0.171% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QG1   ILE   56  10.09 +/- 0.74   0.013% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  16.01 +/- 1.23   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.70 +/- 1.32   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  24.23 +/- 1.50   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  19.38 +/- 1.21   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.19 +/- 1.26   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.29 +/- 1.61   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  17.12 +/- 1.96   0.001% *  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 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 = 0.927, support = 6.55, residual support = 142.6:
    * O T HA    PRO   58 - HD2   PRO   58   3.80 +/- 0.04  40.405% * 97.5353% (0.95  10.0 10.00   6.70 146.75) =  97.163%  kept
          HA    ILE   56 - HD2   PRO   58   3.65 +/- 0.88  59.361% *  1.9382% (0.26   1.0  1.00   1.43   0.02) =   2.837%  kept
          HA    THR   46 - HD2   PRO   58  10.39 +/- 1.49   0.204% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  14.04 +/- 0.88   0.019% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  19.58 +/- 0.88   0.002% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  17.60 +/- 1.08   0.005% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  22.29 +/- 1.24   0.001% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  25.50 +/- 1.30   0.000% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  23.54 +/- 1.34   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  29.34 +/- 1.47   0.000% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  28.51 +/- 1.32   0.000% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.91, residual support = 146.7:
    * O T HB2   PRO   58 - HD2   PRO   58   4.00 +/- 0.23  99.552% * 99.3830% (0.95  10.0 10.00   6.91 146.75) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  11.59 +/- 1.28   0.243% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  11.66 +/- 1.18   0.189% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  18.17 +/- 1.48   0.014% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  28.12 +/- 1.69   0.001% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  29.38 +/- 1.49   0.001% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 6.9, residual support = 145.0:
    * O T HB3   PRO   58 - HD2   PRO   58   3.67 +/- 0.24  79.195% * 92.0246% (0.79  10.0 10.00   6.97 146.75) =  98.800%  kept
          HB    ILE   56 - HD2   PRO   58   5.34 +/- 1.06  16.019% *  5.5215% (0.79   1.0  1.00   1.20   0.02) =   1.199%  kept
          HG2   ARG+  54 - HD2   PRO   58   7.12 +/- 1.77   4.718% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HD2   PRO   58  14.08 +/- 1.41   0.034% *  0.1063% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HD2   PRO   58  22.07 +/- 1.40   0.002% *  1.1017% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   PRO   58  15.79 +/- 1.43   0.016% *  0.0453% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   PRO   58  28.47 +/- 1.32   0.000% *  1.0422% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  19.58 +/- 1.72   0.005% *  0.0340% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  17.70 +/- 0.97   0.007% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  21.12 +/- 1.57   0.003% *  0.0413% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  23.31 +/- 1.38   0.001% *  0.0275% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  32.19 +/- 2.18   0.000% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.15 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 146.7:
    * O T HG2   PRO   58 - HD2   PRO   58   2.88 +/- 0.13  99.798% * 98.7160% (0.95  10.0 10.00   6.62 146.75) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  12.07 +/- 1.26   0.025% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   9.68 +/- 2.20   0.175% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  22.85 +/- 1.75   0.000% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  19.97 +/- 0.98   0.001% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  32.15 +/- 2.25   0.000% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  24.38 +/- 1.74   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  25.78 +/- 1.28   0.000% *  0.0195% (0.19   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 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 = 6.25, residual support = 146.7:
    * O T HB2   PRO   58 - HA    PRO   58   2.63 +/- 0.19  99.982% * 99.2784% (1.00  10.0 10.00   6.25 146.75) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  12.09 +/- 1.01   0.012% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  16.96 +/- 1.22   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  14.40 +/- 1.07   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.22 +/- 1.49   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  28.37 +/- 1.09   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 = 6.19, residual support = 146.7:
    * O T HB3   PRO   58 - HA    PRO   58   2.41 +/- 0.19  99.740% * 98.4544% (0.84  10.0 10.00   6.19 146.75) =  99.998%  kept
        T HB    ILE   56 - HA    PRO   58   7.56 +/- 1.08   0.208% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HA    PRO   58   9.94 +/- 1.91   0.047% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  16.28 +/- 1.16   0.001% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  15.87 +/- 1.03   0.001% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  20.34 +/- 0.97   0.000% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  16.91 +/- 0.93   0.001% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  21.12 +/- 1.59   0.000% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  21.89 +/- 1.23   0.000% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  26.04 +/- 0.98   0.000% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  21.24 +/- 1.09   0.000% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  29.02 +/- 1.85   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 146.7:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  99.620% * 98.7160% (1.00  10.0 10.00   5.98 146.75) =  99.999%  kept
        T HG3   PRO   52 - HA    PRO   58  14.87 +/- 1.14   0.042% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    PRO   58  11.24 +/- 1.75   0.307% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  19.83 +/- 1.65   0.007% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  16.78 +/- 1.06   0.019% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  28.93 +/- 2.03   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  24.11 +/- 0.95   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  23.95 +/- 1.34   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.25 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 146.7:
    * O T HD2   PRO   58 - HA    PRO   58   3.80 +/- 0.04  99.640% * 98.5403% (0.95  10.0 10.00   6.70 146.75) = 100.000%  kept
          HB2   CYS   53 - HA    PRO   58  10.40 +/- 1.44   0.356% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  25.34 +/- 1.16   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  25.53 +/- 0.96   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  23.25 +/- 1.20   0.002% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.08 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.25, residual support = 146.7:
    * O T HA    PRO   58 - HB2   PRO   58   2.63 +/- 0.19  98.889% * 99.4356% (1.00  10.0 10.00   6.25 146.75) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   6.01 +/- 0.99   1.087% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  13.03 +/- 1.38   0.009% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  12.51 +/- 1.06   0.010% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  15.10 +/- 1.59   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  18.23 +/- 1.03   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  21.39 +/- 1.06   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  23.95 +/- 1.26   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  22.80 +/- 1.12   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  28.14 +/- 1.19   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  27.88 +/- 1.04   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.46, residual support = 146.7:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.960% * 98.9371% (0.84  10.0 10.00   4.46 146.75) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   7.53 +/- 1.29   0.035% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  10.52 +/- 1.89   0.004% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  16.89 +/- 1.07   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  23.42 +/- 1.38   0.000% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  16.49 +/- 1.27   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  22.34 +/- 0.96   0.000% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  17.27 +/- 1.41   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  22.29 +/- 1.43   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  27.21 +/- 1.05   0.000% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  22.92 +/- 1.04   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  30.56 +/- 1.90   0.000% *  0.0207% (0.18   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 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 146.7:
    * O T HG2   PRO   58 - HB2   PRO   58   2.47 +/- 0.28  99.983% * 98.7160% (1.00  10.0 10.00   4.26 146.75) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.34 +/- 1.41   0.004% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  11.94 +/- 1.60   0.012% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.59 +/- 1.29   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  21.66 +/- 1.76   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  30.43 +/- 1.98   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  25.82 +/- 0.91   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  26.00 +/- 1.38   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.91, residual support = 146.7:
    * O T HD2   PRO   58 - HB2   PRO   58   4.00 +/- 0.23  99.741% * 98.5403% (0.95  10.0 10.00   6.91 146.75) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  11.50 +/- 1.44   0.254% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  26.57 +/- 1.20   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  26.87 +/- 1.02   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  24.98 +/- 1.25   0.002% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 6.19, residual support = 146.7:
    * O T HA    PRO   58 - HB3   PRO   58   2.41 +/- 0.19  99.520% * 99.1888% (0.84  10.0 10.00   6.19 146.75) =  99.999%  kept
        T HA    ILE   56 - HB3   PRO   58   6.22 +/- 0.97   0.462% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   PRO   58  12.45 +/- 1.17   0.008% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   58  12.93 +/- 1.13   0.006% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  18.17 +/- 1.15   0.001% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  15.86 +/- 1.30   0.002% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  21.86 +/- 1.02   0.000% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  23.81 +/- 1.29   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  28.45 +/- 1.35   0.000% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  23.34 +/- 1.16   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  28.25 +/- 1.06   0.000% *  0.0247% (0.21   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 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.46, residual support = 146.7:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.998% * 99.1367% (0.84  10.0 10.00   4.46 146.75) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58  11.73 +/- 1.46   0.002% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  18.39 +/- 1.32   0.000% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.84 +/- 1.30   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  27.83 +/- 1.53   0.000% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  30.45 +/- 1.16   0.000% *  0.0276% (0.23   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 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 = 4.2, residual support = 146.7:
    * O T HG2   PRO   58 - HB3   PRO   58   2.79 +/- 0.28  99.969% * 97.0168% (0.84  10.0 10.00   4.20 146.75) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  15.22 +/- 1.40   0.005% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  12.17 +/- 1.59   0.023% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  21.49 +/- 1.80   0.001% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  30.31 +/- 1.98   0.000% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.91 +/- 1.14   0.002% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  25.96 +/- 1.00   0.000% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  25.95 +/- 1.40   0.000% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.42 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 6.97, residual support = 146.7:
    * O T HD2   PRO   58 - HB3   PRO   58   3.67 +/- 0.24  99.801% * 98.5403% (0.79  10.0 10.00   6.97 146.75) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  11.25 +/- 1.16   0.196% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  27.05 +/- 1.31   0.001% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  27.28 +/- 1.07   0.001% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  25.09 +/- 1.10   0.001% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.07 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 146.7:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  44.223% * 98.1964% (1.00  10.0 10.00   5.98 146.75) =  99.964%  kept
          HA    ILE   56 - HG2   PRO   58   4.06 +/- 1.30  54.556% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.034%
          HA    THR   46 - HG3   PRO   52   8.49 +/- 1.71   0.944% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   58 - HG3   PRO   52  14.87 +/- 1.14   0.019% *  0.7950% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HG2   PRO   58  12.30 +/- 1.07   0.063% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG3   PRO   52  10.81 +/- 1.04   0.143% *  0.0221% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  14.21 +/- 0.97   0.026% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  15.70 +/- 1.35   0.014% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  19.83 +/- 0.96   0.003% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  21.99 +/- 1.09   0.002% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  25.69 +/- 1.30   0.001% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  22.70 +/- 1.30   0.001% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  26.92 +/- 1.82   0.001% *  0.0767% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  27.22 +/- 1.38   0.000% *  0.0793% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  26.11 +/- 1.79   0.001% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  23.18 +/- 1.20   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  29.24 +/- 1.30   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  33.42 +/- 1.77   0.000% *  0.0793% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  28.57 +/- 1.14   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  27.30 +/- 1.82   0.000% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  34.72 +/- 1.76   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  32.02 +/- 1.80   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.33 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.605, support = 5.04, residual support = 181.5:
    * O T HB2   PRO   58 - HG2   PRO   58   2.47 +/- 0.28  13.171% * 87.8577% (1.00  10.0 10.00   4.26 146.75) =  54.842%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  86.823% * 10.9746% (0.12  10.0 10.00   5.99 223.69) =  45.158%  kept
          HB2   GLN  116 - HG2   PRO   58   9.77 +/- 1.15   0.004% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.34 +/- 1.41   0.000% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  13.35 +/- 1.48   0.001% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  16.96 +/- 2.69   0.000% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  17.74 +/- 1.44   0.000% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  21.47 +/- 2.05   0.000% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  27.75 +/- 1.56   0.000% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.49 +/- 1.45   0.000% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  31.63 +/- 1.61   0.000% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.97 +/- 1.11   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 = 4.2, residual support = 146.7:
    * O T HB3   PRO   58 - HG2   PRO   58   2.79 +/- 0.28  85.922% * 96.9979% (0.84  10.0 10.00   4.20 146.75) =  99.985%  kept
          HB2   MET   92 - HG3   PRO   52   6.50 +/- 2.73   8.655% *  0.0907% (0.78   1.0  1.00   0.02   0.02) =   0.009%
          HB    ILE   56 - HG2   PRO   58   5.69 +/- 1.45   5.008% *  0.0970% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          HB    ILE   56 - HG3   PRO   52   9.90 +/- 1.42   0.065% *  0.0785% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  15.22 +/- 1.40   0.004% *  0.7853% (0.68   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.26 +/- 1.63   0.157% *  0.0179% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.54 +/- 0.56   0.126% *  0.0145% (0.12   1.0  1.00   0.02   1.76) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  15.43 +/- 1.76   0.004% *  0.3528% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  11.56 +/- 2.60   0.043% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  15.32 +/- 1.27   0.004% *  0.1121% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  15.79 +/- 1.35   0.004% *  0.0477% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  15.36 +/- 1.90   0.004% *  0.0387% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.89 +/- 1.28   0.000% *  0.4358% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.91 +/- 1.13   0.002% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  23.00 +/- 1.07   0.000% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  24.48 +/- 1.57   0.000% *  0.0940% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.13 +/- 1.26   0.001% *  0.0358% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  20.80 +/- 2.03   0.001% *  0.0165% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  28.05 +/- 1.18   0.000% *  0.1099% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  32.36 +/- 1.96   0.000% *  0.2034% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.79 +/- 1.14   0.000% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.84 +/- 1.47   0.000% *  0.0234% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  33.57 +/- 1.79   0.000% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  40.07 +/- 2.44   0.000% *  0.1646% (0.14   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.39 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 146.7:
    * O T HD2   PRO   58 - HG2   PRO   58   2.88 +/- 0.13  98.373% * 98.7117% (0.95  10.0 10.00   6.62 146.75) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   52   6.20 +/- 0.79   1.531% *  0.0288% (0.28   1.0  1.00   0.02  54.10) =   0.000%
        T HD2   PRO   58 - HG3   PRO   52  12.07 +/- 1.26   0.025% *  0.7991% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58  10.37 +/- 1.14   0.070% *  0.0356% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  19.44 +/- 2.09   0.001% *  0.0828% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  24.59 +/- 1.07   0.000% *  0.1023% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  27.02 +/- 1.31   0.000% *  0.1034% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  30.41 +/- 2.11   0.000% *  0.0837% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  27.64 +/- 1.11   0.000% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  32.26 +/- 1.80   0.000% *  0.0235% (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 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 = 3.3, residual support = 58.7:
    * O T HB2   PHE   59 - HA    PHE   59   2.96 +/- 0.16  99.792% * 99.6348% (1.00  10.0 10.00   3.30  58.70) = 100.000%  kept
          QB    PHE   55 - HA    PHE   59   9.32 +/- 0.67   0.119% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  11.99 +/- 1.41   0.033% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  12.52 +/- 1.19   0.023% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  12.92 +/- 0.99   0.018% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  13.32 +/- 1.49   0.016% *  0.0524% (0.53   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 = 3.99, residual support = 58.7:
    * O T HB3   PHE   59 - HA    PHE   59   2.63 +/- 0.23  99.999% * 99.9552% (1.00  10.0 10.00   3.99  58.70) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  19.22 +/- 1.20   0.001% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 58.7:
    * O T HA    PHE   59 - HB2   PHE   59   2.96 +/- 0.16  99.924% * 99.8386% (1.00  10.0 10.00   3.30  58.70) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59  10.22 +/- 1.08   0.072% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  19.22 +/- 1.39   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.95 +/- 1.52   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  24.59 +/- 1.56   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 = 58.7:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.9552% (1.00  10.0 10.00   3.44  58.70) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  17.10 +/- 1.44   0.000% *  0.0448% (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 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 58.7:
    * O T HA    PHE   59 - HB3   PHE   59   2.63 +/- 0.23  99.943% * 99.8386% (1.00  10.0 10.00   3.99  58.70) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59   9.53 +/- 1.12   0.055% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  19.72 +/- 1.27   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  19.30 +/- 1.22   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  25.13 +/- 1.16   0.000% *  0.0154% (0.15   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 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.7:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.972% * 99.6348% (1.00  10.0 10.00   3.44  58.70) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   7.46 +/- 0.72   0.020% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59  10.26 +/- 1.40   0.004% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  10.59 +/- 1.07   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  12.19 +/- 1.21   0.001% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  14.50 +/- 1.10   0.000% *  0.0832% (0.84   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 616 (3.16, 3.16, 39.73 ppm):
    1 diagonal assignment:
    *     HB3   PHE   59 - HB3   PHE   59  (1.00)  kept
 
    Peak 617 (3.92, 3.92, 62.21 ppm):
    1 diagonal assignment:
    *     HA    PHE   60 - HA    PHE   60  (1.00)  kept
 
    Peak 618 (3.40, 3.92, 62.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HB2   PHE   60 - HA    PHE   60   2.95 +/- 0.17  99.995% * 99.9010% (1.00  10.0 10.00   4.00  71.92) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  15.74 +/- 0.96   0.005% *  0.0990% (0.99   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 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HB3   PHE   60 - HA    PHE   60   2.65 +/- 0.24  99.970% * 99.7797% (1.00  10.0 10.00   4.00  71.92) = 100.000%  kept
          HB2   PHE   97 - HA    PHE   60  11.33 +/- 0.68   0.019% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    PHE   60  13.53 +/- 0.83   0.007% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  14.98 +/- 0.91   0.003% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  21.70 +/- 1.16   0.000% *  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 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HA    PHE   60 - HB2   PHE   60   2.95 +/- 0.17  99.908% * 99.8400% (1.00  10.0 10.00   4.00  71.92) = 100.000%  kept
          HB    THR   94 - HB2   PHE   60  10.80 +/- 0.84   0.044% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   60  13.09 +/- 0.92   0.015% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  13.35 +/- 0.98   0.014% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  13.65 +/- 1.30   0.014% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  15.89 +/- 1.22   0.005% *  0.0278% (0.28   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 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.999% * 99.7797% (1.00  10.0 10.00   4.00  71.92) = 100.000%  kept
          HB2   PHE   97 - HB2   PHE   60  13.38 +/- 1.15   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   PHE   60  14.92 +/- 1.21   0.000% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  14.83 +/- 0.84   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  23.17 +/- 1.21   0.000% *  0.0249% (0.25   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 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HA    PHE   60 - HB3   PHE   60   2.65 +/- 0.24  99.944% * 99.8400% (1.00  10.0 10.00   4.00  71.92) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60  10.32 +/- 1.28   0.032% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  13.01 +/- 0.95   0.008% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.90 +/- 1.23   0.006% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  13.74 +/- 1.29   0.006% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.61 +/- 1.22   0.003% *  0.0278% (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 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  71.92) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  15.45 +/- 1.16   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T QB    ALA   61 - HA    ALA   61   2.14 +/- 0.01  99.893% * 98.4786% (1.00  10.0 10.00   2.21  17.96) = 100.000%  kept
          QG    LYS+  66 - HA    ALA   61   8.02 +/- 0.86   0.045% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   9.42 +/- 1.05   0.020% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  110 - HA    ALA   61  14.09 +/- 2.26   0.002% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  10.78 +/- 0.99   0.007% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61   9.04 +/- 0.69   0.020% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  11.07 +/- 0.87   0.006% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  12.31 +/- 1.30   0.003% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  17.86 +/- 1.30   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  13.95 +/- 0.83   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.71 +/- 1.48   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  18.23 +/- 1.10   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  23.42 +/- 2.59   0.000% *  0.0518% (0.53   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 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T HA    ALA   61 - QB    ALA   61   2.14 +/- 0.01  99.649% * 98.9510% (1.00  10.0 10.00   2.21  17.96) = 100.000%  kept
          HD3   PRO   58 - QB    ALA   61   5.89 +/- 0.46   0.264% *  0.0444% (0.45   1.0  1.00   0.02   1.07) =   0.000%
          HD3   PRO   58 - QB    ALA  110   9.24 +/- 3.17   0.071% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   61 - QB    ALA  110  14.09 +/- 2.26   0.002% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  10.59 +/- 0.85   0.008% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  11.55 +/- 0.70   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  14.76 +/- 1.33   0.001% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  19.63 +/- 2.30   0.000% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  16.74 +/- 0.68   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  18.95 +/- 0.79   0.000% *  0.0163% (0.16   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 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   2.69 +/- 0.24  99.998% * 99.9434% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  17.90 +/- 1.39   0.002% *  0.0566% (0.57   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 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   2.91 +/- 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  18.75 +/- 1.03   0.002% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  25.06 +/- 2.54   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  25.55 +/- 0.72   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  26.34 +/- 1.12   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.03 A, kept.
 
    Peak 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   2.69 +/- 0.24  99.979% * 99.8236% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  12.12 +/- 1.49   0.021% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  23.46 +/- 0.91   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  27.77 +/- 0.77   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 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  18.07 +/- 1.19   0.000% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  25.17 +/- 1.02   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  26.38 +/- 2.49   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  27.40 +/- 1.14   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   2.91 +/- 0.22  99.967% * 99.8236% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  11.83 +/- 1.40   0.033% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  23.05 +/- 0.80   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  27.23 +/- 0.77   0.000% *  0.0278% (0.27   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 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  15.88 +/- 1.70   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 = 241.3:
    * O T HB2   LEU   63 - HA    LEU   63   2.91 +/- 0.07  99.842% * 99.1997% (1.00  10.0 10.00   6.28 241.31) = 100.000%  kept
          HB3   ASP-  44 - HA    LEU   63  10.35 +/- 1.33   0.067% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   63  10.86 +/- 0.86   0.045% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  15.12 +/- 2.37   0.014% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  13.37 +/- 1.50   0.014% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  15.94 +/- 1.50   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  17.74 +/- 1.27   0.002% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  18.89 +/- 0.95   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  15.31 +/- 1.77   0.006% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  20.39 +/- 1.09   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  22.06 +/- 1.60   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  21.00 +/- 1.05   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  19.74 +/- 1.20   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 = 241.3:
    * O T HB3   LEU   63 - HA    LEU   63   2.48 +/- 0.24  97.827% * 99.7424% (1.00  10.0 10.00   5.98 241.31) =  99.999%  kept
          QD1   LEU  123 - HA    LEU   63   5.88 +/- 1.68   1.650% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HA    LEU   63   6.61 +/- 0.96   0.447% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU   63   9.19 +/- 0.82   0.049% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  11.04 +/- 1.45   0.024% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  15.68 +/- 1.23   0.002% *  0.0645% (0.65   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 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.3:
    * O T HG    LEU   63 - HA    LEU   63   2.94 +/- 0.59  99.785% * 99.8120% (1.00  10.0 10.00   5.98 241.31) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   9.18 +/- 1.10   0.195% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  14.20 +/- 2.03   0.019% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  19.99 +/- 1.02   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.644, support = 5.62, residual support = 241.3:
        T QD2   LEU   63 - HA    LEU   63   2.65 +/- 0.34  88.403% * 35.7505% (0.57 10.00   5.61 241.31) =  82.041%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.84 +/- 0.25  10.955% * 63.1462% (1.00 10.00   5.63 241.31) =  17.958%  kept
          QD2   LEU  115 - HA    LEU   63   7.54 +/- 1.31   0.611% *  0.0527% (0.84  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   63  11.92 +/- 1.37   0.020% *  0.3575% (0.57 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.64 +/- 0.75   0.009% *  0.6315% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.84 +/- 0.94   0.001% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  18.09 +/- 1.27   0.001% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.06 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.972, support = 5.62, residual support = 241.3:
    *   T QD2   LEU   63 - HA    LEU   63   2.65 +/- 0.34  88.383% * 63.5438% (1.00 10.00   5.61 241.31) =  93.444%  kept
        T QD1   LEU   63 - HA    LEU   63   3.84 +/- 0.25  10.952% * 35.9756% (0.57 10.00   5.63 241.31) =   6.555%  kept
          QD2   LEU  115 - HA    LEU   63   7.54 +/- 1.31   0.611% *  0.0158% (0.25  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.64 +/- 0.75   0.009% *  0.3598% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  12.76 +/- 1.79   0.034% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  12.84 +/- 1.03   0.009% *  0.0385% (0.61  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  17.77 +/- 1.62   0.001% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.84 +/- 0.94   0.001% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.06 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 241.3:
    * O T HA    LEU   63 - HB2   LEU   63   2.91 +/- 0.07  99.998% * 99.2046% (1.00  10.0 10.00   6.28 241.31) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  19.13 +/- 1.41   0.001% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  19.94 +/- 1.49   0.001% *  0.0372% (0.38   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 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.3:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.821% * 99.7424% (1.00  10.0 10.00   6.31 241.31) = 100.000%  kept
          QD1   LEU  123 - HB2   LEU   63   7.19 +/- 1.95   0.124% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU   63   7.21 +/- 1.13   0.033% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU   63   7.82 +/- 0.98   0.018% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  10.61 +/- 1.42   0.004% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  13.84 +/- 0.98   0.000% *  0.0645% (0.65   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 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.3:
    * O T HG    LEU   63 - HB2   LEU   63   2.66 +/- 0.15  99.769% * 99.8120% (1.00  10.0 10.00   6.31 241.31) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.85 +/- 0.80   0.215% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  12.84 +/- 2.00   0.015% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  18.25 +/- 1.07   0.001% *  0.0963% (0.97   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 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 6.17, residual support = 241.3:
    * O T QD1   LEU   63 - HB2   LEU   63   2.18 +/- 0.16  85.442% * 63.1462% (1.00  10.0 10.00   6.17 241.31) =  91.418%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.08 +/- 0.25  14.166% * 35.7505% (0.57  10.0 10.00   6.12 241.31) =   8.581%  kept
          QD2   LEU  115 - HB2   LEU   63   6.28 +/- 1.18   0.379% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.30 +/- 0.98   0.005% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  11.81 +/- 1.37   0.006% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.91 +/- 1.13   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  16.21 +/- 1.38   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 = 0.664, support = 6.16, residual support = 241.3:
      O T QD1   LEU   63 - HB2   LEU   63   2.18 +/- 0.16  85.435% * 35.9756% (0.57  10.0 10.00   6.17 241.31) =  77.348%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.08 +/- 0.25  14.165% * 63.5438% (1.00  10.0 10.00   6.12 241.31) =  22.652%  kept
          QD2   LEU  115 - HB2   LEU   63   6.28 +/- 1.18   0.379% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.30 +/- 0.98   0.005% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  11.57 +/- 1.71   0.010% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  11.84 +/- 0.96   0.004% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  15.82 +/- 1.78   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.91 +/- 1.13   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 = 241.3:
    * O T HA    LEU   63 - HB3   LEU   63   2.48 +/- 0.24  99.999% * 99.8862% (1.00  10.0 10.00   5.98 241.31) = 100.000%  kept
          HB2   HIS   22 - HB3   LEU   63  20.03 +/- 1.57   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  18.90 +/- 1.63   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 = 241.3:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.979% * 99.1997% (1.00  10.0 10.00   6.31 241.31) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   8.69 +/- 1.60   0.014% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.46 +/- 1.63   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  13.20 +/- 2.21   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  12.02 +/- 1.49   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  14.75 +/- 1.25   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  16.62 +/- 1.10   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  13.42 +/- 1.46   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  17.28 +/- 1.12   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  18.69 +/- 1.36   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  20.24 +/- 1.99   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  20.05 +/- 1.30   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  18.01 +/- 1.19   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 241.3:
    * O T HG    LEU   63 - HB3   LEU   63   2.92 +/- 0.19  99.618% * 99.8120% (1.00  10.0 10.00   6.00 241.31) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   7.92 +/- 0.91   0.366% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  13.78 +/- 2.03   0.014% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  18.44 +/- 1.33   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 0.06 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.776, support = 5.84, residual support = 241.3:
      O T QD2   LEU   63 - HB3   LEU   63   2.33 +/- 0.32  64.503% * 35.7505% (0.57  10.0 10.00   5.82 241.31) =  51.515%  kept
    * O T QD1   LEU   63 - HB3   LEU   63   2.59 +/- 0.23  34.370% * 63.1462% (1.00  10.0 10.00   5.87 241.31) =  48.484%  kept
          QD2   LEU  115 - HB3   LEU   63   6.92 +/- 1.50   1.112% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HB3   LEU   63  11.31 +/- 1.29   0.006% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   63  10.79 +/- 1.35   0.009% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  16.39 +/- 1.26   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  16.47 +/- 1.57   0.001% *  0.0111% (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 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.899, support = 5.83, residual support = 241.3:
    * O T QD2   LEU   63 - HB3   LEU   63   2.33 +/- 0.32  64.495% * 63.5438% (1.00  10.0 10.00   5.82 241.31) =  76.824%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.59 +/- 0.23  34.366% * 35.9756% (0.57  10.0 10.00   5.87 241.31) =  23.176%  kept
          QD2   LEU  115 - HB3   LEU   63   6.92 +/- 1.50   1.112% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  11.31 +/- 1.29   0.006% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  11.12 +/- 1.82   0.015% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63  11.37 +/- 1.21   0.005% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  16.37 +/- 1.90   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  16.39 +/- 1.26   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.3:
    * O T HA    LEU   63 - HG    LEU   63   2.94 +/- 0.59  99.994% * 99.8862% (1.00  10.0 10.00   5.98 241.31) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  20.07 +/- 2.17   0.003% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  19.52 +/- 2.22   0.003% *  0.0375% (0.38   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 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.3:
    * O T HB2   LEU   63 - HG    LEU   63   2.66 +/- 0.15  99.757% * 99.1997% (1.00  10.0 10.00   6.31 241.31) = 100.000%  kept
          HB3   ASP-  44 - HG    LEU   63   8.75 +/- 2.09   0.157% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  13.79 +/- 2.77   0.028% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  12.08 +/- 1.38   0.018% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  11.74 +/- 1.77   0.023% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  15.46 +/- 1.83   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  16.34 +/- 1.87   0.002% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  13.72 +/- 1.89   0.008% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  17.33 +/- 1.57   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  19.21 +/- 2.15   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  20.40 +/- 2.40   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  20.71 +/- 1.37   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  18.09 +/- 1.54   0.001% *  0.0174% (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 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 241.3:
    * O T HB3   LEU   63 - HG    LEU   63   2.92 +/- 0.19  95.722% * 99.7424% (1.00  10.0 10.00   6.00 241.31) =  99.998%  kept
          QD1   LEU  123 - HG    LEU   63   6.91 +/- 1.87   2.271% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HG    LEU   63   6.81 +/- 1.12   1.192% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HG    LEU   63   8.62 +/- 1.82   0.661% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU   63  10.70 +/- 2.09   0.143% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  14.11 +/- 1.36   0.010% *  0.0645% (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 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 = 0.844, support = 5.6, residual support = 241.3:
    * O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  50.109% * 63.0834% (1.00  10.0 10.00   5.61 241.31) =  63.989%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.809% * 35.7149% (0.57  10.0 10.00   5.59 241.31) =  36.010%  kept
          QD2   LEU  115 - HG    LEU   63   6.72 +/- 0.95   0.075% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  11.65 +/- 1.62   0.003% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG    LEU   63  11.34 +/- 1.48   0.004% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  16.66 +/- 2.00   0.000% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.55 +/- 1.78   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 = 0.843, support = 5.6, residual support = 241.3:
    * O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.804% * 63.5438% (1.00  10.0 10.00   5.59 241.31) =  63.712%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  50.104% * 35.9756% (0.57  10.0 10.00   5.61 241.31) =  36.288%  kept
          QD2   LEU  115 - HG    LEU   63   6.72 +/- 0.95   0.075% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  11.65 +/- 1.62   0.003% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  11.54 +/- 2.19   0.013% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  11.82 +/- 1.78   0.002% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  16.50 +/- 2.34   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.55 +/- 1.78   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 = 5.63, residual support = 241.3:
    *   T HA    LEU   63 - QD1   LEU   63   3.84 +/- 0.25  93.610% * 98.5216% (1.00 10.00   5.63 241.31) =  99.997%  kept
        T HA    LEU   63 - QD1   LEU   73  12.64 +/- 0.75   0.083% *  0.9852% (1.00 10.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   LEU   73   9.14 +/- 1.01   0.765% *  0.0753% (0.76  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   6.95 +/- 1.24   5.149% *  0.0091% (0.09  1.00   0.02   0.02) =   0.001%
        T HA    LEU   63 - QD1   LEU  104  11.92 +/- 1.37   0.176% *  0.2412% (0.24 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  12.58 +/- 1.86   0.150% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  15.99 +/- 1.87   0.028% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  15.60 +/- 1.91   0.034% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  20.97 +/- 1.56   0.004% *  0.0184% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.12 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 241.3:
    * O T HB2   LEU   63 - QD1   LEU   63   2.18 +/- 0.16  94.883% * 95.2053% (1.00  10.0 10.00   6.17 241.31) =  99.998%  kept
          HB3   ASP-  44 - QD1   LEU   63   6.12 +/- 1.87   0.707% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU  104   4.02 +/- 0.42   3.282% *  0.0132% (0.14   1.0  1.00   0.02  16.92) =   0.000%
        T HB3   LEU   80 - QD1   LEU   73   8.60 +/- 0.75   0.036% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   73   6.22 +/- 0.72   0.270% *  0.0854% (0.90   1.0  1.00   0.02   1.31) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.58 +/- 1.20   0.376% *  0.0187% (0.20   1.0  1.00   0.02   8.33) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  11.30 +/- 0.98   0.006% *  0.9521% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   8.05 +/- 1.28   0.075% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   7.82 +/- 0.61   0.056% *  0.0933% (0.98   1.0  1.00   0.02   7.49) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.35 +/- 1.55   0.056% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.45 +/- 2.38   0.037% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  11.81 +/- 1.37   0.006% *  0.2330% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.67 +/- 1.31   0.015% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  15.82 +/- 2.17   0.001% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73   9.94 +/- 0.68   0.014% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.54 +/- 2.11   0.029% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  12.24 +/- 1.28   0.004% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  11.77 +/- 0.94   0.006% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.34 +/- 0.67   0.082% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  12.62 +/- 1.59   0.004% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63  10.02 +/- 1.56   0.016% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  13.20 +/- 1.43   0.002% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  12.81 +/- 0.91   0.003% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.73 +/- 0.92   0.002% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.81 +/- 2.52   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  10.46 +/- 1.12   0.011% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  15.33 +/- 1.87   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  12.27 +/- 1.06   0.003% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  13.16 +/- 1.42   0.003% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  18.30 +/- 1.18   0.000% *  0.2284% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  12.55 +/- 0.58   0.003% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.75 +/- 0.66   0.003% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  13.67 +/- 1.37   0.002% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  17.30 +/- 1.28   0.000% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  19.70 +/- 1.31   0.000% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.64 +/- 0.99   0.001% *  0.0160% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.72 +/- 1.00   0.001% *  0.0151% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.57 +/- 1.35   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  14.07 +/- 0.96   0.002% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 241.3:
    * O T HB3   LEU   63 - QD1   LEU   63   2.59 +/- 0.23  77.885% * 98.2083% (1.00  10.0 10.00   5.87 241.31) =  99.990%  kept
          QD1   LEU   71 - QD1   LEU   73   4.19 +/- 1.54  16.661% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU  123 - QD1   LEU   63   6.31 +/- 1.62   3.123% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   73   6.09 +/- 0.68   0.699% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   63   6.16 +/- 0.67   0.513% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.13 +/- 1.28   0.339% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  11.31 +/- 1.29   0.016% *  0.9821% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.26 +/- 0.73   0.104% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  10.79 +/- 1.35   0.024% *  0.2404% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   8.97 +/- 1.66   0.122% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   6.99 +/- 0.88   0.286% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63  10.38 +/- 1.10   0.025% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   9.41 +/- 1.81   0.097% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.44 +/- 1.57   0.078% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  13.10 +/- 0.83   0.006% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.81 +/- 2.03   0.007% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.32 +/- 0.63   0.008% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  13.15 +/- 1.59   0.007% *  0.0165% (0.17   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 = 5.61, residual support = 241.3:
    * O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  99.057% * 96.2195% (1.00  10.0 10.00   5.61 241.31) =  99.998%  kept
        T QG1   VAL  107 - QD1   LEU   63   5.40 +/- 0.92   0.779% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   24 - QD1   LEU   73   6.90 +/- 0.62   0.092% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QD1   LEU   73  11.65 +/- 1.62   0.005% *  0.9622% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.12 +/- 1.93   0.030% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  11.34 +/- 1.48   0.008% *  0.2355% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU   63  14.69 +/- 1.63   0.001% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   8.78 +/- 0.76   0.022% *  0.0363% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  11.80 +/- 0.73   0.003% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU  104  14.78 +/- 1.08   0.001% *  0.2273% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.01 +/- 1.60   0.000% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.93 +/- 1.46   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 = 5.61, residual support = 241.3:
    *   T HA    LEU   63 - QD2   LEU   63   2.65 +/- 0.34  99.991% * 99.8862% (1.00 10.00   5.61 241.31) = 100.000%  kept
          HA2   GLY  101 - QD2   LEU   63  15.18 +/- 2.33   0.007% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD2   LEU   63  17.41 +/- 1.60   0.002% *  0.0763% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.10 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 241.3:
    * O T HB2   LEU   63 - QD2   LEU   63   3.08 +/- 0.25  97.203% * 98.3391% (1.00  10.0 10.00   6.12 241.31) =  99.998%  kept
          HG    LEU   98 - QD2   LEU   63  10.64 +/- 2.78   1.542% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD2   LEU   63   7.96 +/- 1.70   0.637% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   63   9.35 +/- 1.21   0.264% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63  10.40 +/- 1.70   0.107% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  11.68 +/- 1.96   0.079% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  17.28 +/- 1.93   0.004% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63  10.64 +/- 2.01   0.112% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  13.62 +/- 1.61   0.017% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  15.51 +/- 1.95   0.009% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  14.68 +/- 1.36   0.010% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  16.28 +/- 1.68   0.006% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  14.98 +/- 1.47   0.009% *  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 = 5.82, residual support = 241.3:
    * O T HB3   LEU   63 - QD2   LEU   63   2.33 +/- 0.32  90.858% * 99.7424% (1.00  10.0 10.00   5.82 241.31) =  99.996%  kept
          QD1   LEU  123 - QD2   LEU   63   5.28 +/- 1.50   6.521% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - QD2   LEU   63   4.90 +/- 1.10   1.946% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD2   LEU   63   8.72 +/- 1.79   0.533% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU   63   7.95 +/- 1.22   0.133% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63  11.70 +/- 1.32   0.009% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.59, residual support = 241.3:
    * O T HG    LEU   63 - QD2   LEU   63   2.11 +/- 0.02  99.663% * 98.8183% (1.00  10.0 10.00   5.59 241.31) =  99.999%  kept
        T QG1   VAL  107 - QD2   LEU   63   6.36 +/- 1.22   0.326% *  0.1525% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD2   LEU   63  11.55 +/- 2.14   0.010% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD2   LEU   63  15.57 +/- 1.52   0.001% *  0.9537% (0.97   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.7:
    * O T QB    ALA   64 - HA    ALA   64   2.13 +/- 0.02  99.999% * 99.9825% (1.00  10.0 10.00   2.00  20.75) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  16.15 +/- 0.94   0.001% *  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 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.963, support = 2.03, residual support = 21.8:
    * O T HA    ALA   64 - QB    ALA   64   2.13 +/- 0.02  85.536% * 72.6945% (1.00  10.0 10.00   2.00  20.75) =  94.032%  kept
        T HB2   PHE   72 - QB    ALA   64   3.08 +/- 0.50  14.464% * 27.2831% (0.38   1.0 10.00   2.48  38.11) =   5.968%  kept
          HB3   ASN   35 - QB    ALA   64  16.86 +/- 0.66   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 = 6.29, residual support = 162.7:
    * O T QB    LYS+  65 - HA    LYS+  65   2.41 +/- 0.07  97.796% * 99.3780% (0.92  10.0 10.00   6.29 162.70) =  99.999%  kept
          HB3   GLN   17 - HA    LYS+  65   6.79 +/- 1.51   1.240% *  0.0603% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    LYS+  65   5.29 +/- 0.12   0.899% *  0.0563% (0.52   1.0  1.00   0.02  25.18) =   0.001%
          HB2   LEU   71 - HA    LYS+  65  12.13 +/- 0.86   0.007% *  0.0992% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  14.26 +/- 1.03   0.003% *  0.1121% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121   9.80 +/- 1.41   0.031% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  20.80 +/- 2.53   0.000% *  0.0974% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  13.78 +/- 1.41   0.004% *  0.0110% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  14.54 +/- 2.17   0.014% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  16.70 +/- 0.93   0.001% *  0.0373% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  19.64 +/- 1.32   0.000% *  0.0830% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  16.65 +/- 2.27   0.002% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  20.75 +/- 2.06   0.000% *  0.0248% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  17.51 +/- 1.99   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  15.64 +/- 1.65   0.002% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  21.36 +/- 1.12   0.000% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.887, support = 5.38, residual support = 168.0:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.73 +/- 0.54  47.696% * 53.0514% (0.92  10.0 10.00   5.27 162.70) =  95.470%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.67 +/- 0.24  45.538% *  1.4928% (0.03  10.0 10.00   8.15 315.59) =   2.565%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.80 +/- 0.34   6.322% *  5.9339% (0.10   1.0 10.00   7.51 315.59) =   1.415%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.05 +/- 0.59   0.378% * 38.5232% (0.67   1.0 10.00   5.46  25.18) =   0.550%  kept
        T QD    LYS+  66 - HA    LYS+ 121  10.72 +/- 1.92   0.023% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.04 +/- 1.99   0.001% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.12 +/- 1.38   0.004% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.69 +/- 1.01   0.004% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.68 +/- 1.56   0.001% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.26 +/- 0.96   0.002% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  12.39 +/- 0.99   0.005% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.19 +/- 1.29   0.001% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.65 +/- 1.43   0.014% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.38 +/- 2.05   0.007% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.64 +/- 1.62   0.000% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.08 +/- 0.96   0.000% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.21 +/- 0.82   0.002% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.46 +/- 1.18   0.000% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.53 +/- 1.04   0.000% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  20.93 +/- 1.07   0.000% *  0.0050% (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 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.918, support = 5.28, residual support = 163.5:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.04 +/- 0.59  80.497% * 94.0974% (0.92  10.0 10.00   5.27 162.70) =  99.467%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.24 +/- 0.53  19.301% *  2.1015% (0.02   1.0 10.00   6.64 315.59) =   0.533%  kept
          HB    VAL   42 - HA    LYS+  65  11.03 +/- 0.86   0.043% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+ 121  11.80 +/- 0.59   0.030% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.70 +/- 1.77   0.003% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  24.13 +/- 3.43   0.002% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  13.95 +/- 0.86   0.010% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  20.37 +/- 1.21   0.001% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  16.43 +/- 2.18   0.008% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.30 +/- 2.27   0.004% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.55 +/- 1.23   0.009% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.41 +/- 1.25   0.003% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.65 +/- 0.82   0.014% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.70 +/- 1.34   0.005% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.86 +/- 1.59   0.016% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  19.72 +/- 1.98   0.002% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.28 +/- 1.44   0.020% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  17.70 +/- 1.09   0.003% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  18.21 +/- 1.95   0.004% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  22.88 +/- 2.11   0.001% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.49 +/- 1.07   0.006% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  20.96 +/- 0.82   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  14.78 +/- 1.78   0.011% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  19.97 +/- 1.71   0.002% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  16.71 +/- 1.40   0.004% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.21 +/- 1.83   0.000% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  21.41 +/- 0.91   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.90 +/- 1.12   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 0.00 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.787, support = 5.33, residual support = 188.1:
    *   T QD    LYS+  65 - HA    LYS+  65   3.30 +/- 0.47  35.498% * 86.8789% (0.92   1.0 10.00   4.75 162.70) =  83.370%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.91 +/- 0.08  62.877% *  9.7826% (0.10  10.0 10.00   8.24 315.59) =  16.628%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.52 +/- 0.58   1.560% *  0.0334% (0.04   1.0 10.00   0.02   2.18) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  15.18 +/- 1.43   0.004% *  0.8669% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.60 +/- 1.52   0.009% *  0.2964% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.05 +/- 1.20   0.001% *  0.8020% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.30 +/- 2.99   0.001% *  0.4919% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.73 +/- 1.67   0.013% *  0.0492% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.41 +/- 0.82   0.018% *  0.0242% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  15.34 +/- 1.87   0.004% *  0.0555% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.53 +/- 1.00   0.002% *  0.0980% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  17.31 +/- 2.27   0.002% *  0.0905% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.36 +/- 1.16   0.002% *  0.0244% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.67 +/- 1.10   0.000% *  0.2166% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  16.04 +/- 1.02   0.002% *  0.0151% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  23.61 +/- 1.10   0.000% *  0.1340% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  19.55 +/- 1.41   0.001% *  0.0326% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.15 +/- 0.65   0.000% *  0.0861% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.48 +/- 1.06   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  17.84 +/- 1.87   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  19.73 +/- 1.29   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  24.77 +/- 1.69   0.000% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 162.7:
    *   T QE    LYS+  65 - HA    LYS+  65   4.15 +/- 0.73  99.854% * 97.2340% (0.92 10.00   4.75 162.70) =  99.999%  kept
        T QE    LYS+  33 - HA    LYS+  65  15.43 +/- 2.18   0.079% *  0.8720% (0.83 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LYS+  65  23.52 +/- 1.02   0.004% *  0.9384% (0.89 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  22.15 +/- 1.27   0.006% *  0.5898% (0.56 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  17.12 +/- 1.17   0.029% *  0.1097% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  21.48 +/- 2.00   0.009% *  0.0984% (0.09 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  24.97 +/- 0.64   0.003% *  0.0898% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  23.91 +/- 0.94   0.004% *  0.0365% (0.35  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  23.68 +/- 1.16   0.004% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  22.70 +/- 1.80   0.006% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  26.93 +/- 1.49   0.002% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  29.33 +/- 1.18   0.001% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.33 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 = 6.29, residual support = 162.7:
    * O T HA    LYS+  65 - QB    LYS+  65   2.41 +/- 0.07  99.603% * 98.7802% (0.92  10.0 10.00   6.29 162.70) = 100.000%  kept
          HA2   GLY   16 - QB    LYS+  65   6.86 +/- 1.27   0.378% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QB    LYS+  65  14.26 +/- 1.03   0.003% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  11.18 +/- 0.89   0.012% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.19 +/- 0.76   0.003% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  17.39 +/- 0.95   0.001% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  18.81 +/- 1.44   0.001% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.89 +/- 1.22   0.000% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  18.93 +/- 0.80   0.000% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  23.85 +/- 0.57   0.000% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  21.81 +/- 0.92   0.000% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  25.05 +/- 0.80   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 = 0.988, support = 5.55, residual support = 156.5:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.43 +/- 0.13  93.871% * 57.5064% (1.00  10.0 10.00   5.56 162.70) =  95.496%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.63 +/- 0.89   6.098% * 41.7582% (0.73   1.0 10.00   5.33  25.18) =   4.504%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  14.16 +/- 1.82   0.003% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  65  11.96 +/- 0.84   0.007% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  14.89 +/- 0.79   0.002% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  11.78 +/- 1.25   0.009% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  12.63 +/- 0.64   0.005% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  13.98 +/- 1.35   0.003% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  17.61 +/- 1.23   0.001% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  18.16 +/- 1.22   0.001% *  0.0101% (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 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 162.7:
    * O T QD    LYS+  65 - QB    LYS+  65   2.14 +/- 0.11  99.966% * 97.4795% (1.00  10.0 10.00   5.04 162.70) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   9.18 +/- 0.80   0.018% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  11.69 +/- 1.42   0.005% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  11.52 +/- 1.37   0.007% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  18.62 +/- 0.81   0.000% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  13.41 +/- 1.39   0.002% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  16.56 +/- 1.44   0.001% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  20.88 +/- 2.52   0.000% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  20.96 +/- 1.20   0.000% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.94 +/- 1.24   0.000% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  21.50 +/- 0.51   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 = 162.7:
    *   T QE    LYS+  65 - QB    LYS+  65   3.13 +/- 0.59  99.981% * 98.8300% (1.00 10.00   5.04 162.70) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  15.66 +/- 1.90   0.014% *  0.8863% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  22.61 +/- 0.76   0.001% *  0.0954% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  23.08 +/- 0.49   0.001% *  0.0912% (0.92  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  21.67 +/- 0.98   0.001% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  21.52 +/- 0.77   0.001% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.34 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 = 162.7:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.73 +/- 0.54  99.338% * 97.8884% (0.92  10.0 10.00   5.27 162.70) =  99.999%  kept
          HA2   GLY   16 - HG2   LYS+  65   7.07 +/- 1.57   0.631% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA  120 - HG2   LYS+  65  14.03 +/- 1.11   0.016% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  17.19 +/- 1.29   0.004% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  18.73 +/- 1.35   0.002% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  16.83 +/- 1.01   0.004% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  19.73 +/- 1.97   0.001% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  20.34 +/- 1.67   0.001% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  20.37 +/- 1.24   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  25.62 +/- 1.02   0.000% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  23.40 +/- 1.39   0.000% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  27.13 +/- 1.16   0.000% *  0.0186% (0.18   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 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 162.7:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.43 +/- 0.13  98.984% * 99.0387% (1.00  10.0 10.00   5.56 162.70) =  99.997%  kept
        T QB    LYS+  66 - HG2   LYS+  65   6.31 +/- 0.49   0.382% *  0.5607% (0.57   1.0 10.00   0.02  25.18) =   0.002%
          HB3   GLN   17 - HG2   LYS+  65   6.87 +/- 1.69   0.628% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+  65  13.29 +/- 1.02   0.004% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  18.46 +/- 1.43   0.001% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.92 +/- 2.49   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  17.67 +/- 1.08   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  21.53 +/- 2.01   0.000% *  0.0247% (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 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 = 162.7:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.34 +/- 0.10  99.953% * 96.4735% (1.00  10.0 10.00   4.44 162.70) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  11.53 +/- 1.81   0.013% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  15.98 +/- 1.70   0.001% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65   9.70 +/- 1.23   0.029% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  23.34 +/- 2.90   0.000% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  20.87 +/- 1.03   0.000% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  14.57 +/- 1.53   0.003% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  24.00 +/- 1.16   0.000% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  18.29 +/- 1.54   0.001% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.86 +/- 1.13   0.000% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  22.67 +/- 1.04   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 = 162.7:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.59 +/- 0.31  99.997% * 98.8300% (1.00  10.0 10.00   4.44 162.70) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  16.48 +/- 2.04   0.002% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  23.84 +/- 1.36   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  24.73 +/- 0.95   0.000% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  23.52 +/- 1.28   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  22.39 +/- 1.32   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 = 162.7:
    *   T HA    LYS+  65 - QD    LYS+  65   3.30 +/- 0.47  94.653% * 96.9449% (0.92 10.00   4.75 162.70) =  99.996%  kept
          HA2   GLY   16 - QD    LYS+  65   6.61 +/- 1.26   3.572% *  0.1014% (0.97  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - QD    LYS+  65  16.53 +/- 1.00   0.008% *  0.5946% (0.57 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   8.43 +/- 0.93   0.529% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.09 +/- 1.03   0.738% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  13.43 +/- 0.86   0.028% *  0.0993% (0.95  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  15.34 +/- 1.87   0.014% *  0.1503% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  16.36 +/- 1.16   0.009% *  0.1472% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  22.30 +/- 2.99   0.005% *  0.2450% (0.23 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  17.31 +/- 2.27   0.009% *  0.1086% (0.10 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  16.04 +/- 1.02   0.010% *  0.0911% (0.09 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  19.05 +/- 1.20   0.004% *  0.1771% (0.17 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.37 +/- 0.72   0.136% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  22.35 +/- 3.61   0.018% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  14.11 +/- 0.86   0.023% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  18.66 +/- 1.88   0.005% *  0.0803% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  18.49 +/- 1.00   0.005% *  0.0679% (0.65  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.83 +/- 1.01   0.030% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  16.75 +/- 2.24   0.012% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  16.09 +/- 0.75   0.009% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  18.97 +/- 1.69   0.004% *  0.0511% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  13.31 +/- 1.69   0.038% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.49 +/- 0.75   0.008% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  17.15 +/- 2.21   0.010% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  24.67 +/- 1.10   0.001% *  0.2400% (0.23 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.47 +/- 1.45   0.010% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  15.77 +/- 0.69   0.010% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  23.61 +/- 1.10   0.001% *  0.1485% (0.14 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  19.29 +/- 1.10   0.003% *  0.0358% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  18.77 +/- 2.01   0.004% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  16.08 +/- 1.25   0.011% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  15.19 +/- 1.34   0.017% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  24.44 +/- 0.78   0.001% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  19.62 +/- 2.45   0.004% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  18.09 +/- 1.42   0.005% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  15.92 +/- 1.32   0.010% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  17.03 +/- 1.32   0.008% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  21.00 +/- 1.37   0.002% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  17.19 +/- 2.43   0.011% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  20.36 +/- 1.23   0.002% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  19.72 +/- 1.41   0.003% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  21.16 +/- 1.52   0.002% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  22.40 +/- 1.31   0.001% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  18.98 +/- 1.63   0.004% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  23.13 +/- 1.11   0.001% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  24.20 +/- 1.14   0.001% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  22.30 +/- 0.88   0.001% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  20.00 +/- 1.29   0.003% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  19.26 +/- 1.83   0.004% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  26.01 +/- 0.94   0.001% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.87 +/- 1.18   0.000% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  28.82 +/- 1.34   0.000% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  27.88 +/- 1.28   0.000% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  26.16 +/- 1.88   0.001% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  27.68 +/- 0.91   0.000% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  28.78 +/- 1.67   0.000% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  25.27 +/- 1.18   0.001% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  30.98 +/- 0.88   0.000% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  32.88 +/- 1.03   0.000% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  31.74 +/- 0.95   0.000% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.07 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.887, support = 4.99, residual support = 162.2:
    * O T QB    LYS+  65 - QD    LYS+  65   2.14 +/- 0.11  57.876% * 77.3143% (1.00  10.0 10.00   5.04 162.70) =  84.984%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.32 +/- 0.34  41.276% * 19.1545% (0.25  10.0 10.00   4.75 159.14) =  15.016%  kept
          HB3   GLN   17 - QD    LYS+  65   6.58 +/- 1.64   0.452% *  0.0469% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.45 +/- 0.34   0.080% *  0.0438% (0.57   1.0  1.00   0.02  25.18) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   8.66 +/- 1.53   0.031% *  0.0989% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   9.62 +/- 1.90   0.015% *  0.1384% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.16 +/- 0.94   0.230% *  0.0049% (0.06   1.0  1.00   0.02  22.38) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102   9.48 +/- 1.27   0.012% *  0.0733% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.61 +/- 0.81   0.005% *  0.0530% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111   9.48 +/- 1.34   0.013% *  0.0160% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.87 +/- 1.50   0.000% *  0.6458% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.44 +/- 1.01   0.001% *  0.0771% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  21.04 +/- 2.17   0.000% *  0.7578% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.55 +/- 0.85   0.000% *  0.2902% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.27 +/- 2.13   0.002% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  11.37 +/- 0.73   0.003% *  0.0141% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.88 +/- 2.52   0.000% *  0.1954% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  18.62 +/- 0.81   0.000% *  0.1412% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  20.79 +/- 1.48   0.000% *  0.1632% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  20.96 +/- 1.20   0.000% *  0.1914% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.94 +/- 1.24   0.000% *  0.1184% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.05 +/- 1.43   0.000% *  0.1161% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.95 +/- 2.73   0.001% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  13.65 +/- 1.19   0.001% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.30 +/- 0.77   0.000% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  26.37 +/- 0.98   0.000% *  0.1180% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.84 +/- 1.01   0.000% *  0.0445% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  20.76 +/- 1.69   0.000% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  18.73 +/- 1.19   0.000% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.03 +/- 1.69   0.000% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.88 +/- 1.16   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  19.45 +/- 1.37   0.000% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.40 +/- 2.73   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  19.63 +/- 1.39   0.000% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  25.32 +/- 1.57   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.82 +/- 1.14   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  22.99 +/- 1.26   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.82 +/- 1.50   0.000% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  28.46 +/- 1.23   0.000% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.46 +/- 1.20   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 162.7:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.34 +/- 0.10  85.370% * 94.3122% (1.00  10.0 10.00   4.44 162.70) =  99.993%  kept
        T QD    LYS+  66 - QD    LYS+  65   6.46 +/- 0.91   0.289% *  0.6848% (0.73   1.0 10.00   0.02  25.18) =   0.002%
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.55 +/- 0.21   7.483% *  0.0253% (0.03  10.0  1.00   0.02 315.43) =   0.002%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.88 +/- 0.24   4.472% *  0.0409% (0.04  10.0  1.00   0.02 315.43) =   0.002%
          HB3   LEU   40 - QD    LYS+ 102  12.12 +/- 2.49   2.156% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  65  11.87 +/- 0.92   0.006% *  0.7878% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  16.37 +/- 1.75   0.001% *  0.9348% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  11.93 +/- 1.25   0.006% *  0.1455% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   7.10 +/- 0.89   0.152% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  14.45 +/- 2.29   0.002% *  0.2314% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  14.29 +/- 1.80   0.002% *  0.2363% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  16.20 +/- 1.30   0.001% *  0.2352% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  13.70 +/- 1.93   0.003% *  0.0594% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  14.71 +/- 1.15   0.002% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  17.39 +/- 2.11   0.001% *  0.1708% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  19.65 +/- 2.85   0.001% *  0.1731% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   9.23 +/- 0.60   0.025% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  17.67 +/- 0.80   0.000% *  0.1251% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  15.68 +/- 1.06   0.001% *  0.0582% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  10.68 +/- 1.37   0.013% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  19.72 +/- 1.98   0.000% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.34 +/- 2.90   0.000% *  0.2384% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  16.36 +/- 2.05   0.001% *  0.0430% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.08 +/- 0.85   0.002% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  14.17 +/- 2.20   0.003% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.87 +/- 1.03   0.000% *  0.1723% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  21.05 +/- 0.89   0.000% *  0.1439% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  22.76 +/- 1.10   0.000% *  0.1950% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  16.38 +/- 1.24   0.001% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.44 +/- 0.50   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  24.00 +/- 1.16   0.000% *  0.2335% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.86 +/- 1.13   0.000% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  20.25 +/- 1.13   0.000% *  0.0360% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.04 +/- 1.89   0.000% *  0.0368% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  19.42 +/- 1.30   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.61 +/- 1.82   0.000% *  0.0199% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  18.81 +/- 1.95   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  19.87 +/- 1.35   0.000% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  15.42 +/- 0.87   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  22.56 +/- 0.84   0.000% *  0.0266% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  21.91 +/- 1.23   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  24.65 +/- 0.74   0.000% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  20.52 +/- 1.30   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  19.93 +/- 1.80   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.21 +/- 0.70   0.000% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.61 +/- 0.98   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  19.33 +/- 1.18   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  23.72 +/- 1.48   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.33 +/- 1.27   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.17 +/- 1.78   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 = 162.7:
    * O T QE    LYS+  65 - QD    LYS+  65   2.11 +/- 0.03  99.925% * 97.0780% (1.00  10.0 10.00   4.00 162.70) = 100.000%  kept
        T QE    LYS+  33 - QD    LYS+  38  10.62 +/- 1.06   0.008% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  15.76 +/- 1.87   0.001% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   7.67 +/- 0.81   0.056% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  15.95 +/- 1.78   0.001% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  11.80 +/- 1.77   0.005% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.48 +/- 2.91   0.000% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  14.29 +/- 2.27   0.002% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  20.16 +/- 1.37   0.000% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  22.46 +/- 1.48   0.000% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  21.40 +/- 1.49   0.000% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  16.25 +/- 1.74   0.001% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.72 +/- 0.68   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  22.89 +/- 1.16   0.000% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  22.48 +/- 1.26   0.000% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  23.92 +/- 0.66   0.000% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  21.32 +/- 1.12   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.21 +/- 1.31   0.000% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  28.81 +/- 1.27   0.000% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  20.74 +/- 1.28   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.21 +/- 1.41   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  22.32 +/- 1.39   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.82 +/- 1.74   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  25.42 +/- 1.56   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  24.22 +/- 1.84   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.77 +/- 1.10   0.000% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  30.59 +/- 1.05   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  31.56 +/- 1.46   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  28.96 +/- 0.96   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  31.49 +/- 1.26   0.000% *  0.0090% (0.09   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 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.909, support = 4.72, residual support = 160.0:
    *   T HA    LYS+  65 - QE    LYS+  65   4.15 +/- 0.73  78.630% * 88.0388% (0.92 10.00   4.75 162.70) =  98.239%  kept
        T HA    GLN   32 - QE    LYS+  33   6.98 +/- 1.37  12.709% *  9.7024% (0.10 10.00   3.32  11.65) =   1.750%  kept
          HA2   GLY   16 - QE    LYS+  65   7.16 +/- 1.41   7.900% *  0.0920% (0.97  1.00   0.02   0.02) =   0.010%
        T HA    LYS+  65 - QE    LYS+  33  15.43 +/- 2.18   0.066% *  0.4526% (0.47 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QE    LYS+  33  12.30 +/- 2.37   0.428% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  65  17.12 +/- 1.17   0.022% *  0.5399% (0.57 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  14.07 +/- 1.23   0.082% *  0.0902% (0.95  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  21.48 +/- 2.00   0.007% *  0.2776% (0.29 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  17.71 +/- 2.14   0.025% *  0.0729% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  17.97 +/- 1.24   0.017% *  0.0617% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  18.06 +/- 1.68   0.018% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.40 +/- 1.81   0.004% *  0.1887% (0.20 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  16.29 +/- 1.00   0.030% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.42 +/- 1.13   0.015% *  0.0325% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  19.58 +/- 1.01   0.009% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  19.44 +/- 0.72   0.010% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  21.96 +/- 2.49   0.007% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  23.89 +/- 1.11   0.003% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  21.42 +/- 1.53   0.006% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  22.14 +/- 1.17   0.005% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  25.46 +/- 1.26   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.69 +/- 0.70   0.004% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.51 +/- 1.79   0.001% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.10 +/- 1.19   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 162.7:
    *   T QB    LYS+  65 - QE    LYS+  65   3.13 +/- 0.59  85.881% * 98.8024% (1.00 10.00   5.04 162.70) =  99.990%  kept
          HB3   GLN   17 - QE    LYS+  65   6.40 +/- 2.05  11.705% *  0.0599% (0.61  1.00   0.02   0.02) =   0.008%
          HB2   LEU   71 - QE    LYS+  33   7.35 +/- 1.61   1.474% *  0.0507% (0.51  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  65   7.10 +/- 0.68   0.659% *  0.0559% (0.57  1.00   0.02  25.18) =   0.000%
        T QB    LYS+  65 - QE    LYS+  33  15.66 +/- 1.90   0.009% *  0.5079% (0.51 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  33  10.37 +/- 1.03   0.169% *  0.0191% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  13.54 +/- 1.29   0.020% *  0.0986% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  12.35 +/- 2.03   0.042% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  15.21 +/- 1.37   0.010% *  0.0498% (0.50  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  17.36 +/- 1.51   0.005% *  0.0825% (0.84  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  15.78 +/- 1.70   0.010% *  0.0288% (0.29  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  17.59 +/- 1.27   0.004% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  21.26 +/- 2.45   0.001% *  0.0968% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  15.92 +/- 0.90   0.008% *  0.0127% (0.13  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  21.05 +/- 2.09   0.001% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  24.03 +/- 1.26   0.001% *  0.0424% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 162.7:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.59 +/- 0.31  97.034% * 98.8048% (1.00  10.0 10.00   4.44 162.70) =  99.998%  kept
          QD    LYS+  66 - QE    LYS+  65   7.29 +/- 1.53   2.480% *  0.0717% (0.73   1.0  1.00   0.02  25.18) =   0.002%
          QG2   THR   26 - QE    LYS+  33   7.22 +/- 1.30   0.394% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  65  11.10 +/- 1.40   0.020% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  16.48 +/- 2.04   0.002% *  0.5079% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  14.29 +/- 1.59   0.004% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  11.13 +/- 1.50   0.021% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  10.73 +/- 1.37   0.024% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  13.73 +/- 1.55   0.006% *  0.0424% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  16.82 +/- 1.85   0.002% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  14.49 +/- 1.26   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  17.34 +/- 1.85   0.001% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.66 +/- 1.39   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  15.80 +/- 1.10   0.002% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  20.66 +/- 2.16   0.001% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  16.29 +/- 1.58   0.002% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.75 +/- 1.43   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  19.65 +/- 1.43   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  20.00 +/- 1.83   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  26.44 +/- 1.62   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 0.03 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 162.7:
    * O T QD    LYS+  65 - QE    LYS+  65   2.11 +/- 0.03  99.944% * 96.2302% (1.00  10.0 10.00   4.00 162.70) = 100.000%  kept
        T QD    LYS+  38 - QE    LYS+  33  10.62 +/- 1.06   0.008% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   8.69 +/- 1.30   0.033% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.14 +/- 1.61   0.008% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  15.76 +/- 1.87   0.001% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  15.95 +/- 1.78   0.001% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  22.48 +/- 2.91   0.000% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  20.16 +/- 1.37   0.000% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  16.10 +/- 1.43   0.001% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  14.51 +/- 1.48   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  15.97 +/- 1.10   0.001% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.02 +/- 1.64   0.001% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  22.46 +/- 1.48   0.000% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  17.17 +/- 1.73   0.000% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  21.40 +/- 1.49   0.000% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  21.39 +/- 1.18   0.000% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  20.12 +/- 1.60   0.000% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.27 +/- 1.64   0.000% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.21 +/- 1.31   0.000% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  22.30 +/- 2.97   0.000% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  28.81 +/- 1.27   0.000% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  24.09 +/- 1.11   0.000% *  0.0186% (0.19   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 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 = 112.3:
    * O T QB    LYS+  66 - HA    LYS+  66   2.43 +/- 0.10  95.744% * 86.1314% (1.00  10.0 10.00   4.99 112.86) =  99.345%  kept
          QB    LYS+  65 - HA    LYS+  66   4.12 +/- 0.12   4.184% * 12.9971% (0.57   1.0  1.00   5.33  25.18) =   0.655%  kept
          HG    LEU  123 - HA    LYS+  66   8.75 +/- 1.36   0.066% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.76 +/- 0.61   0.003% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  17.34 +/- 0.71   0.001% *  0.0815% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  23.76 +/- 1.80   0.000% *  0.4876% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.45 +/- 2.60   0.001% *  0.0719% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  19.98 +/- 2.69   0.001% *  0.0592% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  20.03 +/- 1.69   0.000% *  0.0772% (0.90   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 = 0.996, support = 4.31, residual support = 112.3:
    * O T QG    LYS+  66 - HA    LYS+  66   2.51 +/- 0.36  97.639% * 72.3676% (1.00  10.0 10.00   4.31 112.86) =  99.405%  kept
        T HG    LEU   67 - HA    LYS+  66   6.07 +/- 0.98   1.556% * 27.1604% (0.38   1.0 10.00   4.10  10.29) =   0.595%  kept
          HB3   LEU   67 - HA    LYS+  66   6.16 +/- 0.52   0.682% *  0.0685% (0.95   1.0  1.00   0.02  10.29) =   0.001%
          QB    ALA   61 - HA    LYS+  66   8.36 +/- 0.57   0.106% *  0.0604% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  13.07 +/- 1.05   0.007% *  0.0352% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  15.55 +/- 0.82   0.002% *  0.0685% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  15.10 +/- 1.41   0.003% *  0.0381% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  15.32 +/- 1.71   0.002% *  0.0352% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  23.03 +/- 3.64   0.001% *  0.0628% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  18.14 +/- 1.82   0.001% *  0.0439% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  24.92 +/- 1.13   0.000% *  0.0468% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  25.37 +/- 1.12   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 1.0, support = 4.31, residual support = 112.9:
    *   T QD    LYS+  66 - HA    LYS+  66   2.43 +/- 0.46  99.310% * 98.7926% (1.00 10.00   4.31 112.86) =  99.999%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.36 +/- 0.65   0.660% *  0.0717% (0.73  1.00   0.02  25.18) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  66  13.50 +/- 2.49   0.011% *  0.7911% (0.80 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    LYS+  66  13.08 +/- 2.05   0.011% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  16.00 +/- 1.24   0.003% *  0.0520% (0.53  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  17.43 +/- 1.68   0.001% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  16.03 +/- 0.93   0.002% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  18.03 +/- 0.69   0.001% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  20.38 +/- 1.43   0.001% *  0.0559% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 112.9:
    *   T QE    LYS+  66 - HA    LYS+  66   4.00 +/- 0.43  99.622% * 99.6609% (1.00 10.00   3.74 112.86) = 100.000%  kept
          HB2   ASN   69 - HA    LYS+  66  10.58 +/- 0.75   0.372% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  23.57 +/- 0.85   0.003% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HA    LYS+  66  23.62 +/- 0.80   0.003% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 112.9:
    * O T HA    LYS+  66 - QB    LYS+  66   2.43 +/- 0.10  99.921% * 99.9488% (1.00  10.0 10.00   4.99 112.86) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   8.28 +/- 0.86   0.078% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.92 +/- 0.82   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  24.03 +/- 0.87   0.000% *  0.0154% (0.15   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 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 = 0.992, support = 4.31, residual support = 111.5:
    * O T QG    LYS+  66 - QB    LYS+  66   2.05 +/- 0.01  96.198% * 71.9610% (1.00  10.0 10.00   4.31 112.86) =  98.685%  kept
        T HG    LEU   67 - QB    LYS+  66   5.00 +/- 1.35   3.415% * 27.0078% (0.38   1.0 10.00   4.07  10.29) =   1.315%  kept
          HB3   LEU   67 - QB    LYS+  66   5.40 +/- 0.31   0.309% *  0.0681% (0.95   1.0  1.00   0.02  10.29) =   0.000%
          QB    ALA   61 - QB    LYS+  66   7.10 +/- 0.53   0.062% *  0.0601% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  19.13 +/- 3.24   0.001% *  0.6242% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  10.51 +/- 1.18   0.007% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  11.58 +/- 1.55   0.005% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.17 +/- 0.93   0.002% *  0.0681% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  13.66 +/- 1.11   0.001% *  0.0379% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  14.51 +/- 1.57   0.001% *  0.0436% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  21.20 +/- 1.31   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  21.54 +/- 1.35   0.000% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.9:
    * O T QD    LYS+  66 - QB    LYS+  66   2.30 +/- 0.17  99.619% * 98.1588% (1.00  10.0 10.00   4.31 112.86) =  99.997%  kept
        T HG2   LYS+  65 - QB    LYS+  66   6.31 +/- 0.49   0.291% *  0.7128% (0.73   1.0 10.00   0.02  25.18) =   0.002%
        T HD2   LYS+ 121 - QB    LYS+  66  10.00 +/- 2.30   0.043% *  0.7860% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  66   9.76 +/- 1.91   0.036% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  14.01 +/- 1.65   0.003% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  13.28 +/- 1.19   0.003% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  13.59 +/- 0.89   0.003% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  15.80 +/- 0.68   0.001% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  16.01 +/- 1.26   0.001% *  0.0556% (0.57   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 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 112.9:
    *   T QE    LYS+  66 - QB    LYS+  66   3.18 +/- 0.63  99.821% * 99.6609% (1.00 10.00   3.73 112.86) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66   9.84 +/- 0.74   0.174% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  20.11 +/- 0.87   0.002% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  20.65 +/- 0.69   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 = 112.9:
    * O T HA    LYS+  66 - QG    LYS+  66   2.51 +/- 0.36  91.508% * 99.8680% (1.00  10.0 10.00   4.31 112.86) =  99.999%  kept
        T HA    LYS+  66 - HG    LEU   67   6.07 +/- 0.98   1.541% *  0.0769% (0.08   1.0 10.00   0.02  10.29) =   0.001%
          HA1   GLY   16 - HG    LEU   67   7.12 +/- 2.51   6.870% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  66   9.07 +/- 1.06   0.080% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  22.21 +/- 1.01   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  24.96 +/- 1.01   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.65 +/- 1.43   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  25.77 +/- 0.92   0.000% *  0.0012% (0.01   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 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.9:
    * O T QB    LYS+  66 - QG    LYS+  66   2.05 +/- 0.01  93.043% * 97.7883% (1.00  10.0 10.00   4.31 112.86) =  99.995%  kept
        T QB    LYS+  66 - HG    LEU   67   5.00 +/- 1.35   3.384% *  0.0753% (0.08   1.0 10.00   0.02  10.29) =   0.003%
          QB    LYS+  65 - QG    LYS+  66   4.17 +/- 0.94   3.053% *  0.0554% (0.57   1.0  1.00   0.02  25.18) =   0.002%
          HG    LEU  123 - QG    LYS+  66   6.21 +/- 1.41   0.210% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  10.30 +/- 2.21   0.239% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  17.57 +/- 2.88   0.001% *  0.6717% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  15.67 +/- 1.21   0.001% *  0.9250% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  17.69 +/- 3.01   0.003% *  0.0817% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.79 +/- 0.95   0.042% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  12.46 +/- 1.14   0.002% *  0.0712% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  15.58 +/- 3.04   0.003% *  0.0517% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  13.14 +/- 0.81   0.002% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.51 +/- 1.13   0.013% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  16.30 +/- 1.96   0.001% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  15.92 +/- 2.93   0.003% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  19.72 +/- 1.91   0.000% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  19.62 +/- 1.67   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  24.07 +/- 1.89   0.000% *  0.0043% (0.04   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 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 = 112.9:
    * O T QD    LYS+  66 - QG    LYS+  66   2.09 +/- 0.03  98.992% * 98.6006% (1.00  10.0 10.00   4.00 112.86) =  99.999%  kept
          HG2   LYS+  65 - QG    LYS+  66   6.42 +/- 1.11   0.600% *  0.0716% (0.73   1.0  1.00   0.02  25.18) =   0.000%
        T QD    LYS+  66 - HG    LEU   67   6.64 +/- 1.23   0.291% *  0.0759% (0.08   1.0 10.00   0.02  10.29) =   0.000%
        T HD2   LYS+ 121 - QG    LYS+  66  10.52 +/- 2.55   0.018% *  0.7895% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  11.67 +/- 3.17   0.029% *  0.0608% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  10.30 +/- 2.33   0.020% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   9.10 +/- 1.32   0.024% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  10.96 +/- 2.93   0.013% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  14.04 +/- 1.27   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  15.17 +/- 1.94   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  14.49 +/- 1.06   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  14.60 +/- 1.59   0.001% *  0.0285% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  16.15 +/- 1.41   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  16.76 +/- 0.62   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  12.78 +/- 2.75   0.004% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  15.31 +/- 1.39   0.001% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  15.19 +/- 1.37   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  20.02 +/- 2.27   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 = 3.41, residual support = 112.9:
    * O T QE    LYS+  66 - QG    LYS+  66   2.16 +/- 0.11  99.577% * 99.5585% (1.00  10.0 10.00   3.41 112.86) = 100.000%  kept
        T QE    LYS+  66 - HG    LEU   67   7.54 +/- 1.62   0.303% *  0.0766% (0.08   1.0 10.00   0.02  10.29) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.35 +/- 1.16   0.112% *  0.0024% (0.02   1.0  1.00   0.02   2.96) =   0.000%
          HB2   ASN   69 - QG    LYS+  66  10.95 +/- 1.06   0.007% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  20.95 +/- 1.03   0.000% *  0.2217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  21.99 +/- 0.94   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.49 +/- 1.21   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  21.80 +/- 1.45   0.000% *  0.0171% (0.02   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 112.9:
    *   T HA    LYS+  66 - QD    LYS+  66   2.43 +/- 0.46  99.896% * 99.8184% (1.00 10.00   4.31 112.86) = 100.000%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  13.50 +/- 2.49   0.011% *  0.1241% (0.12 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD    LYS+  66   9.31 +/- 1.14   0.091% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  22.62 +/- 1.08   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  26.05 +/- 1.22   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  17.81 +/- 1.64   0.001% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  24.22 +/- 2.17   0.000% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  25.34 +/- 1.06   0.000% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.99, support = 4.33, residual support = 110.8:
    * O T QB    LYS+  66 - QD    LYS+  66   2.30 +/- 0.17  95.378% * 63.5425% (1.00  10.0 10.00   4.31 112.86) =  97.615%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.63 +/- 0.89   4.116% * 35.9749% (0.57   1.0 10.00   5.33  25.18) =   2.385%  kept
          HG    LEU  123 - QD    LYS+  66   6.56 +/- 1.58   0.376% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HD2   LYS+ 121  10.00 +/- 2.30   0.042% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.51 +/- 0.91   0.058% *  0.0045% (0.07   1.0  1.00   0.02   2.18) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  14.16 +/- 1.82   0.003% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  13.86 +/- 0.72   0.002% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.60 +/- 2.87   0.001% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  16.50 +/- 0.89   0.001% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  12.68 +/- 1.67   0.006% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  17.35 +/- 2.08   0.001% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  18.19 +/- 2.56   0.001% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  14.07 +/- 1.81   0.003% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  12.82 +/- 1.19   0.004% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  15.54 +/- 2.31   0.005% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  15.05 +/- 2.20   0.002% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  20.69 +/- 2.20   0.000% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  20.56 +/- 2.16   0.000% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 112.9:
    * O T QG    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.470% * 98.6304% (1.00  10.0 10.00   4.00 112.86) =  99.999%  kept
        T HG    LEU   67 - QD    LYS+  66   6.64 +/- 1.23   0.291% *  0.3702% (0.38   1.0 10.00   0.02  10.29) =   0.001%
          HB3   LEU   67 - QD    LYS+  66   7.07 +/- 0.62   0.082% *  0.0933% (0.95   1.0  1.00   0.02  10.29) =   0.000%
          QB    ALA   61 - QD    LYS+  66   7.96 +/- 1.04   0.051% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HD2   LYS+ 121  10.52 +/- 2.55   0.019% *  0.1226% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  11.67 +/- 3.17   0.030% *  0.0460% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  10.33 +/- 2.12   0.020% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  10.01 +/- 1.02   0.010% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  12.83 +/- 2.37   0.007% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  12.56 +/- 1.11   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  12.38 +/- 2.29   0.008% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  15.33 +/- 0.87   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  15.56 +/- 2.27   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  21.02 +/- 3.44   0.001% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  15.33 +/- 1.16   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.24 +/- 1.87   0.004% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  13.98 +/- 1.03   0.001% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  15.20 +/- 2.34   0.001% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  16.96 +/- 1.36   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  23.29 +/- 1.39   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  23.62 +/- 1.36   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  21.02 +/- 2.24   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  23.75 +/- 1.47   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  23.87 +/- 1.16   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 = 3.31, residual support = 112.9:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.982% * 99.4957% (1.00  10.0 10.00   3.31 112.86) = 100.000%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  10.80 +/- 2.34   0.010% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  66  11.02 +/- 1.13   0.006% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  21.95 +/- 1.23   0.000% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  22.55 +/- 0.77   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  15.60 +/- 2.52   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  24.21 +/- 0.93   0.000% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  22.62 +/- 2.14   0.000% *  0.0107% (0.11   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 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 112.9:
    *   T HA    LYS+  66 - QE    LYS+  66   4.00 +/- 0.43  97.628% * 99.7309% (1.00 10.00   3.74 112.86) = 100.000%  kept
          HA    LYS+  81 - HB2   ASP-  76   8.01 +/- 0.60   1.970% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QE    LYS+  66  10.71 +/- 1.32   0.387% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  23.57 +/- 0.85   0.003% *  0.2073% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  23.33 +/- 1.54   0.003% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  26.49 +/- 0.97   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  20.30 +/- 0.81   0.007% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.88 +/- 0.78   0.001% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.47 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 = 3.75, residual support = 111.6:
    *   T QB    LYS+  66 - QE    LYS+  66   3.18 +/- 0.63  79.038% * 87.7703% (1.00 10.00   3.73 112.86) =  98.531%  kept
          QB    LYS+  65 - QE    LYS+  66   5.77 +/- 1.07   8.941% * 11.5043% (0.57  1.00   4.63  25.18) =   1.461%  kept
          HG    LEU  123 - QE    LYS+  66   5.58 +/- 1.70  11.935% *  0.0497% (0.57  1.00   0.02   0.02) =   0.008%
          HG12  ILE  103 - QE    LYS+  66  18.66 +/- 2.91   0.019% *  0.0733% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  66  14.62 +/- 1.16   0.013% *  0.0462% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  17.23 +/- 2.15   0.007% *  0.0787% (0.90  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  18.19 +/- 2.60   0.008% *  0.0603% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  66  16.96 +/- 1.18   0.005% *  0.0830% (0.95  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  20.11 +/- 0.87   0.002% *  0.1825% (0.21 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  15.75 +/- 1.54   0.009% *  0.0164% (0.19  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  20.58 +/- 2.34   0.002% *  0.0497% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.21 +/- 1.21   0.007% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  17.71 +/- 1.28   0.004% *  0.0173% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  16.96 +/- 0.64   0.005% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  20.07 +/- 1.56   0.002% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  18.63 +/- 0.85   0.003% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  22.57 +/- 0.99   0.001% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.52 +/- 1.70   0.000% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.19 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 = 3.41, residual support = 112.9:
    * O T QG    LYS+  66 - QE    LYS+  66   2.16 +/- 0.11  98.948% * 98.5716% (1.00  10.0 10.00   3.41 112.86) =  99.999%  kept
        T HG    LEU   67 - QE    LYS+  66   7.54 +/- 1.62   0.301% *  0.3700% (0.38   1.0 10.00   0.02  10.29) =   0.001%
          HB3   LEU   67 - QE    LYS+  66   8.03 +/- 1.02   0.053% *  0.0932% (0.95   1.0  1.00   0.02  10.29) =   0.000%
          HG    LEU   80 - HB2   ASP-  76   6.36 +/- 1.08   0.309% *  0.0133% (0.13   1.0  1.00   0.02   2.50) =   0.000%
          QB    ALA   61 - QE    LYS+  66   8.60 +/- 1.03   0.036% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.34 +/- 1.10   0.331% *  0.0036% (0.04   1.0  1.00   0.02   2.50) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  12.44 +/- 2.15   0.008% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  12.90 +/- 1.53   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  15.36 +/- 2.20   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  21.00 +/- 3.53   0.001% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  16.14 +/- 0.75   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  12.45 +/- 0.69   0.003% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  12.95 +/- 0.91   0.002% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  16.45 +/- 1.42   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  20.95 +/- 1.03   0.000% *  0.2049% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  14.08 +/- 0.91   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  15.39 +/- 1.75   0.001% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  21.80 +/- 1.45   0.000% *  0.0769% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  23.94 +/- 1.30   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  21.19 +/- 1.38   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  18.95 +/- 1.34   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  20.73 +/- 1.35   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  24.21 +/- 1.18   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  25.81 +/- 1.25   0.000% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 112.9:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  99.761% * 98.3437% (1.00  10.0 10.00   3.31 112.86) = 100.000%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  10.80 +/- 2.34   0.010% *  0.7875% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  66   8.20 +/- 1.42   0.099% *  0.0714% (0.73   1.0  1.00   0.02  25.18) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  10.57 +/- 2.26   0.014% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.82 +/- 0.94   0.054% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   8.21 +/- 0.84   0.036% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   8.77 +/- 0.88   0.022% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  15.89 +/- 1.91   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  16.55 +/- 1.98   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  15.65 +/- 1.37   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  16.25 +/- 1.04   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  21.95 +/- 1.23   0.000% *  0.2045% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  18.22 +/- 0.60   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  24.21 +/- 0.93   0.000% *  0.1637% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  19.07 +/- 1.40   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  21.87 +/- 1.44   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  23.35 +/- 1.02   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  24.48 +/- 1.26   0.000% *  0.0140% (0.14   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 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.8:
    * O T HB2   PRO   68 - HA    PRO   68   2.73 +/- 0.00  99.996% * 98.6006% (0.84  10.0 10.00   2.00  35.80) = 100.000%  kept
          HG3   GLU- 100 - HA    PRO   68  16.04 +/- 1.30   0.003% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   24 - HA    PRO   68  25.06 +/- 1.85   0.000% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  18.07 +/- 1.48   0.001% *  0.1157% (0.98   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 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.8:
    * O T HA    PRO   68 - HB2   PRO   68   2.73 +/- 0.00 100.000% * 99.1920% (0.84  10.0 10.00   2.00  35.80) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  25.06 +/- 1.85   0.000% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.2:
    * O T HB2   ASN   69 - HA    ASN   69   2.57 +/- 0.14  99.935% * 99.7955% (1.00  10.0 10.00   3.63  61.21) = 100.000%  kept
          QE    LYS+  66 - HA    ASN   69  11.36 +/- 1.66   0.024% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   69  10.65 +/- 2.04   0.041% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  23.55 +/- 0.71   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  27.70 +/- 0.64   0.000% *  0.0605% (0.61   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 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.2:
    * O T HB3   ASN   69 - HA    ASN   69   2.61 +/- 0.26  99.933% * 99.7714% (1.00  10.0 10.00   3.31  61.21) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69   9.69 +/- 1.01   0.063% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  15.20 +/- 1.45   0.004% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  23.81 +/- 1.64   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.2:
    * O T HA    ASN   69 - HB2   ASN   69   2.57 +/- 0.14  99.997% * 99.8126% (1.00  10.0 10.00   3.63  61.21) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  15.32 +/- 0.73   0.003% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  22.79 +/- 0.95   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.2:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.998% * 99.7714% (1.00  10.0 10.00   3.97  61.21) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  11.31 +/- 0.82   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  16.50 +/- 1.05   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  25.11 +/- 1.59   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.2:
    * O T HA    ASN   69 - HB3   ASN   69   2.61 +/- 0.26  99.996% * 99.8126% (1.00  10.0 10.00   3.31  61.21) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  15.67 +/- 0.96   0.003% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  23.11 +/- 1.01   0.000% *  0.0978% (0.98   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 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.2:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.995% * 99.7955% (1.00  10.0 10.00   3.97  61.21) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  11.18 +/- 2.01   0.003% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  12.06 +/- 2.12   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  25.33 +/- 1.05   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  29.41 +/- 1.01   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 = 83.1:
    * O T HB    VAL   70 - HA    VAL   70   2.69 +/- 0.33  98.719% * 97.2460% (1.00  10.0 10.00   4.31  83.10) =  99.999%  kept
        T QG    GLN   17 - HA    VAL   70  10.57 +/- 1.18   0.044% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    SER   48   6.70 +/- 1.12   1.048% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70  10.18 +/- 1.26   0.060% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   SER   82  10.93 +/- 1.09   0.035% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  12.35 +/- 0.77   0.014% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70  10.03 +/- 0.78   0.049% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  18.36 +/- 1.45   0.001% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.45 +/- 0.58   0.021% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  15.22 +/- 0.85   0.004% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  23.36 +/- 0.97   0.000% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  25.10 +/- 0.78   0.000% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.32 +/- 0.78   0.001% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  24.04 +/- 0.87   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  18.09 +/- 0.65   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  20.19 +/- 1.21   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  21.32 +/- 0.76   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  24.91 +/- 0.89   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  27.41 +/- 0.87   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  30.57 +/- 1.15   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  32.46 +/- 0.57   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 = 0.997, support = 4.89, residual support = 81.4:
    * O T QG1   VAL   70 - HA    VAL   70   2.76 +/- 0.42  84.808% * 80.9755% (1.00  10.0 10.00   4.91  83.10) =  96.563%  kept
          QD1   LEU   71 - HA    VAL   70   5.07 +/- 1.29  14.730% * 16.5913% (0.92   1.0  1.00   4.44  32.79) =   3.436%  kept
        T QG1   VAL   18 - HA    VAL   70  10.21 +/- 1.12   0.066% *  0.7937% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    VAL   70  10.75 +/- 2.61   0.284% *  0.0747% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  11.62 +/- 0.80   0.018% *  0.1808% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   70   9.68 +/- 1.15   0.062% *  0.0458% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  11.87 +/- 1.08   0.022% *  0.0491% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  16.17 +/- 0.63   0.003% *  0.3846% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  21.17 +/- 0.83   0.001% *  0.3924% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  20.23 +/- 1.35   0.001% *  0.1845% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  21.82 +/- 1.59   0.000% *  0.1703% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  17.12 +/- 1.68   0.002% *  0.0362% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  18.38 +/- 1.87   0.001% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  19.89 +/- 1.39   0.001% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  26.04 +/- 1.76   0.000% *  0.0362% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  24.85 +/- 0.92   0.000% *  0.0238% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  24.87 +/- 1.62   0.000% *  0.0222% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  26.69 +/- 1.08   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.09 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 83.1:
    * O T QG2   VAL   70 - HA    VAL   70   2.47 +/- 0.19  99.999% * 99.2926% (0.80  10.0 10.00   4.00  83.10) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  19.24 +/- 0.73   0.001% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  18.94 +/- 0.59   0.001% *  0.2262% (0.18   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 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 83.1:
    * O T HA    VAL   70 - HB    VAL   70   2.69 +/- 0.33  91.001% * 98.3567% (1.00  10.0 10.00   4.31  83.10) =  99.999%  kept
          HA    VAL   18 - QG    GLN   17   5.42 +/- 0.62   2.434% *  0.0125% (0.13   1.0  1.00   0.02  50.08) =   0.000%
          HA1   GLY   16 - HB    VAL   70   7.54 +/- 1.91   1.233% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    GLN   17   4.57 +/- 0.37   5.120% *  0.0036% (0.04   1.0  1.00   0.02  16.50) =   0.000%
        T HA    VAL   70 - QG    GLN   17  10.57 +/- 1.18   0.039% *  0.1827% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    VAL   70   9.30 +/- 1.07   0.102% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    VAL   70  10.18 +/- 1.11   0.040% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  14.44 +/- 2.04   0.006% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  14.05 +/- 0.96   0.005% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  25.10 +/- 0.78   0.000% *  0.5966% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.48 +/- 0.84   0.001% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  14.35 +/- 2.01   0.008% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  16.12 +/- 2.04   0.004% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  24.04 +/- 0.87   0.000% *  0.2453% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  18.36 +/- 1.45   0.001% *  0.0456% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  16.75 +/- 0.87   0.002% *  0.0183% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  23.36 +/- 0.97   0.000% *  0.1108% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  17.70 +/- 1.69   0.002% *  0.0133% (0.13   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 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 = 5.31, residual support = 83.1:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.02  98.846% * 99.3444% (1.00  10.0 10.00   5.31  83.10) =  99.999%  kept
          QD1   LEU  123 - HB    VAL   70   9.01 +/- 2.54   0.268% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB    VAL   70   6.47 +/- 1.03   0.260% *  0.0917% (0.92   1.0  1.00   0.02  32.79) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   8.76 +/- 1.21   0.033% *  0.1845% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL   70   7.69 +/- 1.55   0.102% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.84 +/- 0.45   0.266% *  0.0181% (0.18   1.0  1.00   0.02  50.08) =   0.000%
          QD1   LEU   71 - QG    GLN   17   8.25 +/- 1.86   0.195% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL   70   9.86 +/- 1.19   0.014% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  11.27 +/- 1.51   0.006% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  10.80 +/- 0.98   0.007% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  12.62 +/- 1.50   0.003% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  19.42 +/- 1.23   0.000% *  0.0112% (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 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 83.1:
    * O T QG2   VAL   70 - HB    VAL   70   2.13 +/- 0.01  99.978% * 99.8146% (0.80  10.0 10.00   4.31  83.10) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   8.93 +/- 0.84   0.022% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 83.1:
    * O T HA    VAL   70 - QG1   VAL   70   2.76 +/- 0.42  95.041% * 98.1637% (1.00  10.0 10.00   4.91  83.10) =  99.994%  kept
        T HA    VAL   18 - QG1   VAL   70   8.02 +/- 1.50   0.732% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.005%
          HA1   GLY   16 - QG1   VAL   70   6.43 +/- 1.47   3.912% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - QG1   VAL   70   8.68 +/- 1.13   0.235% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  11.70 +/- 1.80   0.053% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  12.02 +/- 0.88   0.020% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  14.92 +/- 0.83   0.005% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  21.17 +/- 0.83   0.001% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  20.23 +/- 1.35   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 0.10 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 83.1:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.02  99.922% * 98.7774% (1.00  10.0 10.00   5.31  83.10) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   8.76 +/- 1.21   0.034% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70  10.34 +/- 1.06   0.010% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   9.81 +/- 1.56   0.018% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70  10.07 +/- 1.40   0.015% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  18.43 +/- 1.08   0.000% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  17.91 +/- 1.20   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.91, residual support = 83.1:
    * O T QG2   VAL   70 - QG1   VAL   70   2.07 +/- 0.05 100.000% *100.0000% (0.80  10.0 10.00   4.91  83.10) = 100.000%  kept
    Distance limit 2.54 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 = 83.1:
    * O T HA    VAL   70 - QG2   VAL   70   2.47 +/- 0.19  99.122% * 98.7631% (0.54  10.0 10.00   4.00  83.10) = 100.000%  kept
          HA    VAL   18 - QG2   VAL   70   7.22 +/- 0.67   0.213% *  0.0678% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG2   VAL   70   7.13 +/- 1.40   0.479% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   VAL   70   8.28 +/- 0.93   0.140% *  0.0481% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  11.78 +/- 1.81   0.021% *  0.0988% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  10.89 +/- 0.80   0.018% *  0.0857% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.28 +/- 0.76   0.005% *  0.0717% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  19.24 +/- 0.73   0.001% *  0.5990% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  18.94 +/- 0.59   0.001% *  0.2463% (0.13   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 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.31, residual support = 83.1:
    * O T HB    VAL   70 - QG2   VAL   70   2.13 +/- 0.01  99.912% * 98.7774% (0.54  10.0 10.00   4.31  83.10) = 100.000%  kept
        T QG    GLN   17 - QG2   VAL   70   8.93 +/- 0.84   0.022% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG2   VAL   70   8.49 +/- 0.72   0.028% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   9.06 +/- 1.04   0.025% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70   9.83 +/- 0.67   0.012% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.70 +/- 0.69   0.000% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  16.36 +/- 0.84   0.001% *  0.0246% (0.13   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 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.91, residual support = 83.1:
    * O T QG1   VAL   70 - QG2   VAL   70   2.07 +/- 0.05  98.101% * 99.6017% (0.54  10.0 10.00   4.91  83.10) =  99.998%  kept
          QD1   LEU   71 - QG2   VAL   70   4.76 +/- 0.71   1.175% *  0.0919% (0.50   1.0  1.00   0.02  32.79) =   0.001%
          QD1   LEU  123 - QG2   VAL   70   7.95 +/- 2.17   0.331% *  0.0919% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   70   6.15 +/- 1.31   0.314% *  0.0564% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL   70   7.61 +/- 0.83   0.053% *  0.0976% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   8.47 +/- 0.98   0.026% *  0.0604% (0.33   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 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 = 138.6:
    * O T HB2   LEU   71 - HA    LEU   71   2.94 +/- 0.17  99.441% * 99.5520% (1.00  10.0 10.00   5.31 138.62) = 100.000%  kept
          HB3   GLN   17 - HA    LEU   71   8.66 +/- 1.19   0.237% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   71   8.83 +/- 1.25   0.187% *  0.0340% (0.34   1.0  1.00   0.02   4.34) =   0.000%
          QB    LYS+  65 - HA    LEU   71  10.57 +/- 0.72   0.053% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.26 +/- 0.61   0.060% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  15.00 +/- 2.13   0.013% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.64 +/- 1.28   0.007% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  20.37 +/- 1.00   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.6:
    * O T HB3   LEU   71 - HA    LEU   71   2.64 +/- 0.10  99.994% * 99.6783% (1.00  10.0 10.00   4.31 138.62) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  14.29 +/- 0.83   0.004% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  18.48 +/- 0.67   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  23.11 +/- 2.86   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  22.69 +/- 2.25   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  24.43 +/- 1.41   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 4.03, residual support = 136.8:
    *   T QD1   LEU   71 - HA    LEU   71   2.95 +/- 0.51  91.644% * 81.5735% (1.00 10.00   4.02 138.62) =  98.236%  kept
          QG1   VAL   70 - HA    LEU   71   4.99 +/- 0.67   7.379% * 18.1808% (0.92  1.00   4.83  32.79) =   1.763%  kept
          QG1   VAL   18 - HA    LEU   71   7.45 +/- 0.92   0.685% *  0.0681% (0.84  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    LEU   71  12.58 +/- 2.62   0.105% *  0.0816% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU   71  10.04 +/- 1.51   0.174% *  0.0278% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  14.40 +/- 1.22   0.014% *  0.0681% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 138.6:
    *   T QD2   LEU   71 - HA    LEU   71   2.10 +/- 0.33  97.716% * 99.6055% (1.00 10.00   5.00 138.62) =  99.999%  kept
          QD2   LEU   40 - HA    LEU   71   7.53 +/- 1.22   1.345% *  0.0409% (0.41  1.00   0.02   1.66) =   0.001%
          QD1   LEU   67 - HA    LEU   71   6.47 +/- 1.54   0.910% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LEU   71  11.29 +/- 1.68   0.018% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  13.58 +/- 0.94   0.003% *  0.0976% (0.98  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  12.58 +/- 0.58   0.003% *  0.0684% (0.69  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.50 +/- 1.05   0.004% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.14 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 = 138.6:
    * O T HA    LEU   71 - HB2   LEU   71   2.94 +/- 0.17  99.496% * 99.9402% (1.00  10.0 10.00   5.31 138.62) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   7.36 +/- 0.53   0.475% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  11.60 +/- 0.64   0.029% *  0.0375% (0.38   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 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 = 138.6:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 99.6783% (1.00  10.0 10.00   4.97 138.62) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  13.24 +/- 0.79   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  17.02 +/- 0.59   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  23.51 +/- 2.87   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  23.12 +/- 2.29   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  24.07 +/- 1.62   0.000% *  0.0447% (0.45   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 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.6:
    * O T QD1   LEU   71 - HB2   LEU   71   2.37 +/- 0.17  99.324% * 99.6081% (1.00  10.0 10.00   4.97 138.62) =  99.999%  kept
          QG1   VAL   70 - HB2   LEU   71   5.84 +/- 0.57   0.574% *  0.0919% (0.92   1.0  1.00   0.02  32.79) =   0.001%
          QG1   VAL   18 - HB2   LEU   71   8.43 +/- 0.88   0.066% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  13.40 +/- 2.78   0.012% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  11.04 +/- 1.80   0.019% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  13.09 +/- 1.44   0.005% *  0.0832% (0.84   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 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 138.6:
    * O T QD2   LEU   71 - HB2   LEU   71   3.19 +/- 0.02  93.925% * 99.6055% (1.00  10.0 10.00   5.44 138.62) =  99.997%  kept
          QD2   LEU   40 - HB2   LEU   71   6.34 +/- 1.34   5.125% *  0.0409% (0.41   1.0  1.00   0.02   1.66) =   0.002%
          QD1   LEU   67 - HB2   LEU   71   7.59 +/- 0.99   0.789% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  12.07 +/- 2.01   0.060% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   71  11.83 +/- 1.10   0.041% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  12.00 +/- 1.15   0.038% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  13.12 +/- 0.69   0.021% *  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 = 138.6:
    * O T HA    LEU   71 - HB3   LEU   71   2.64 +/- 0.10  99.858% * 99.9402% (1.00  10.0 10.00   4.31 138.62) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   8.42 +/- 1.11   0.129% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  12.04 +/- 0.99   0.012% *  0.0375% (0.38   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 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.6:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.959% * 99.3538% (1.00  10.0 10.00   4.97 138.62) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   7.36 +/- 1.30   0.034% *  0.0339% (0.34   1.0  1.00   0.02   4.34) =   0.000%
          HB3   GLN   17 - HB3   LEU   71  10.82 +/- 1.11   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  13.44 +/- 1.41   0.001% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  13.69 +/- 2.12   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.49 +/- 0.86   0.001% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.77 +/- 1.07   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  21.05 +/- 1.41   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   2.94 +/- 0.43  96.822% * 81.5693% (1.00  10.0 10.00   3.71 138.62) =  99.409%  kept
          QG1   VAL   70 - HB3   LEU   71   5.82 +/- 0.57   2.579% * 18.1851% (0.92   1.0  1.00   4.83  32.79) =   0.590%  kept
          QG1   VAL   18 - HB3   LEU   71   8.75 +/- 1.17   0.271% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  11.42 +/- 2.04   0.273% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB3   LEU   71  13.52 +/- 2.83   0.041% *  0.0816% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  13.70 +/- 1.42   0.015% *  0.0681% (0.84   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 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 138.6:
    * O T QD2   LEU   71 - HB3   LEU   71   2.41 +/- 0.17  99.154% * 99.6055% (1.00  10.0 10.00   4.44 138.62) = 100.000%  kept
          QD2   LEU   40 - HB3   LEU   71   6.80 +/- 1.18   0.627% *  0.0409% (0.41   1.0  1.00   0.02   1.66) =   0.000%
          QD1   LEU   67 - HB3   LEU   71   7.61 +/- 1.12   0.171% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  12.30 +/- 2.15   0.031% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  12.61 +/- 1.16   0.006% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  12.73 +/- 1.20   0.007% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  13.74 +/- 0.97   0.003% *  0.0684% (0.69   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 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.02, residual support = 138.6:
    *   T HA    LEU   71 - QD1   LEU   71   2.95 +/- 0.51  99.021% * 99.9402% (1.00 10.00   4.02 138.62) = 100.000%  kept
          HA    VAL   43 - QD1   LEU   71   7.20 +/- 1.21   0.779% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD1   LEU   71   9.20 +/- 1.91   0.201% *  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 = 138.6:
    * O T HB2   LEU   71 - QD1   LEU   71   2.37 +/- 0.17  99.316% * 99.5520% (1.00  10.0 10.00   4.97 138.62) = 100.000%  kept
          HB    VAL   41 - QD1   LEU   71   6.94 +/- 1.28   0.533% *  0.0340% (0.34   1.0  1.00   0.02   4.34) =   0.000%
          HB3   GLN   17 - QD1   LEU   71   8.60 +/- 1.66   0.095% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  10.65 +/- 1.06   0.015% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  10.36 +/- 1.21   0.025% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  12.22 +/- 1.78   0.008% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  12.05 +/- 1.30   0.008% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  17.84 +/- 1.13   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 0.02 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 138.6:
    * O T HB3   LEU   71 - QD1   LEU   71   2.94 +/- 0.43  99.952% * 99.6783% (1.00  10.0 10.00   3.71 138.62) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  12.06 +/- 1.07   0.036% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  15.31 +/- 1.13   0.008% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  20.59 +/- 2.42   0.002% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  20.28 +/- 2.07   0.002% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.32 +/- 1.19   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.09 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 138.6:
    * O T QD2   LEU   71 - QD1   LEU   71   2.05 +/- 0.06  99.433% * 99.6055% (1.00  10.0 10.00   4.15 138.62) = 100.000%  kept
          QD2   LEU   40 - QD1   LEU   71   6.69 +/- 1.42   0.343% *  0.0409% (0.41   1.0  1.00   0.02   1.66) =   0.000%
          QD1   LEU   67 - QD1   LEU   71   7.01 +/- 1.35   0.195% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  10.91 +/- 1.80   0.014% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.02 +/- 1.78   0.007% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  11.11 +/- 1.03   0.005% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  11.37 +/- 1.01   0.004% *  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 = 138.6:
    *   T HA    LEU   71 - QD2   LEU   71   2.10 +/- 0.33  99.940% * 99.9402% (1.00 10.00   5.00 138.62) = 100.000%  kept
          HA    VAL   43 - QD2   LEU   71   8.41 +/- 0.63   0.043% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD2   LEU   71   9.47 +/- 0.76   0.016% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 138.6:
    * O T HB2   LEU   71 - QD2   LEU   71   3.19 +/- 0.02  97.582% * 99.3538% (1.00  10.0 10.00   5.44 138.62) =  99.999%  kept
          HB3   GLN   17 - QD2   LEU   71   7.43 +/- 1.25   1.200% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD2   LEU   71   9.95 +/- 1.36   0.510% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU   71   8.27 +/- 1.17   0.495% *  0.0339% (0.34   1.0  1.00   0.02   4.34) =   0.000%
          QB    LYS+  65 - QD2   LEU   71   9.93 +/- 1.13   0.158% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  13.36 +/- 1.18   0.021% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  13.28 +/- 1.82   0.033% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  18.68 +/- 1.13   0.003% *  0.0796% (0.80   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 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 138.6:
    * O T HB3   LEU   71 - QD2   LEU   71   2.41 +/- 0.17  99.993% * 99.2790% (1.00  10.0 10.00   4.44 138.62) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  13.13 +/- 0.78   0.005% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  22.20 +/- 1.50   0.000% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  16.64 +/- 0.62   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  21.07 +/- 2.52   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  20.75 +/- 2.26   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 0.01 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 138.6:
    * O T QD1   LEU   71 - QD2   LEU   71   2.05 +/- 0.06  99.454% * 99.6081% (1.00  10.0 10.00   4.15 138.62) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU   71   5.47 +/- 0.50   0.342% *  0.0919% (0.92   1.0  1.00   0.02  32.79) =   0.000%
          QG1   VAL   18 - QD2   LEU   71   6.92 +/- 0.89   0.114% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU   71  10.20 +/- 1.86   0.070% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  11.86 +/- 2.59   0.019% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  13.48 +/- 1.23   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 = 90.1:
    * O T HB2   PHE   72 - HA    PHE   72   2.88 +/- 0.23  97.952% * 99.8683% (0.64  10.0 10.00   4.07  90.06) =  99.998%  kept
          HA    ALA   64 - HA    PHE   72   5.80 +/- 0.54   2.018% *  0.0868% (0.55   1.0  1.00   0.02  38.11) =   0.002%
          HB3   ASN   69 - HA    PHE   72  11.51 +/- 0.66   0.029% *  0.0449% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.59, residual support = 90.1:
    * O T HB3   PHE   72 - HA    PHE   72   2.78 +/- 0.24  97.721% * 99.4196% (0.66  10.0 10.00   4.59  90.06) =  99.997%  kept
          HB2   ASP-  44 - HA    PHE   72   5.70 +/- 0.67   1.991% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - HA    PHE   72   8.65 +/- 1.45   0.208% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    PHE   72  11.92 +/- 1.58   0.045% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  11.66 +/- 1.10   0.022% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  17.04 +/- 0.76   0.002% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.54 +/- 0.54   0.009% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  19.56 +/- 1.58   0.001% *  0.0918% (0.61   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 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.07, residual support = 90.1:
    * O T HA    PHE   72 - HB2   PHE   72   2.88 +/- 0.23 100.000% *100.0000% (0.64  10.0 10.00   4.07  90.06) = 100.000%  kept
    Distance limit 3.85 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 = 4.15, residual support = 90.1:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.851% * 99.4196% (0.72  10.0 10.00   4.15  90.06) = 100.000%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.37 +/- 1.33   0.106% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   PHE   72   7.76 +/- 1.32   0.024% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  10.51 +/- 1.82   0.018% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  11.95 +/- 1.20   0.001% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  18.54 +/- 1.83   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  18.17 +/- 1.24   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  14.67 +/- 0.81   0.000% *  0.0177% (0.13   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 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.59, residual support = 90.1:
    * O T HA    PHE   72 - HB3   PHE   72   2.78 +/- 0.24 100.000% *100.0000% (0.66  10.0 10.00   4.59  90.06) = 100.000%  kept
    Distance limit 3.56 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 = 4.15, residual support = 90.1:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.486% * 99.8683% (0.72  10.0 10.00   4.15  90.06) = 100.000%  kept
          HA    ALA   64 - HB3   PHE   72   4.43 +/- 0.56   0.512% *  0.0868% (0.63   1.0  1.00   0.02  38.11) =   0.000%
          HB3   ASN   69 - HB3   PHE   72  11.62 +/- 0.81   0.001% *  0.0449% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 171.7:
    * O T HB2   LEU   73 - HA    LEU   73   2.44 +/- 0.29  99.979% * 99.4108% (1.00  10.0 10.00   5.00 171.70) = 100.000%  kept
          QD    LYS+  99 - HA    LEU   73  15.01 +/- 1.35   0.004% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  13.02 +/- 1.57   0.010% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LEU   73  16.20 +/- 0.61   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  16.88 +/- 0.99   0.001% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  17.72 +/- 1.07   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  15.78 +/- 1.11   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.27 +/- 1.81   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.03 +/- 1.93   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  23.43 +/- 1.00   0.000% *  0.0892% (0.90   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 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.11, residual support = 171.7:
    * O T HB3   LEU   73 - HA    LEU   73   2.72 +/- 0.26  94.879% * 99.1728% (1.00  10.0 10.00   5.11 171.70) =  99.999%  kept
          HB3   LYS+  74 - HA    LEU   73   4.76 +/- 0.39   4.493% *  0.0174% (0.18   1.0  1.00   0.02  40.49) =   0.001%
          HB    VAL   42 - HA    LEU   73   6.83 +/- 0.68   0.527% *  0.0983% (0.99   1.0  1.00   0.02   1.40) =   0.001%
          HG3   LYS+  33 - HA    LEU   73  11.61 +/- 1.11   0.022% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  11.96 +/- 1.55   0.017% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  11.80 +/- 0.95   0.021% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  12.82 +/- 0.76   0.011% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  12.39 +/- 1.26   0.014% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  15.02 +/- 1.68   0.005% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  16.63 +/- 0.57   0.002% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  14.70 +/- 0.93   0.004% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  20.09 +/- 2.19   0.001% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  21.62 +/- 1.59   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.23 +/- 2.34   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  18.94 +/- 1.58   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 171.7:
    *   T QD1   LEU   73 - HA    LEU   73   3.93 +/- 0.30  96.926% * 98.2281% (1.00 10.00   5.00 171.70) =  99.988%  kept
        T QD1   LEU   63 - HA    LEU   73   9.28 +/- 1.70   0.973% *  0.9823% (1.00 10.00   0.02   0.02) =   0.010%
          QD2   LEU   80 - HA    LEU   73   8.70 +/- 1.08   1.080% *  0.0787% (0.80  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   73  14.04 +/- 1.17   0.059% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   73  10.05 +/- 1.52   0.506% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  13.15 +/- 1.41   0.096% *  0.0820% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73  10.14 +/- 0.68   0.360% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.13 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 171.7:
    *   T QD2   LEU   73 - HA    LEU   73   2.58 +/- 0.60  99.366% * 99.4036% (1.00 10.00   6.19 171.70) = 100.000%  kept
          QD1   ILE   56 - HA    LEU   73  12.96 +/- 1.85   0.181% *  0.0891% (0.90  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU   73   6.78 +/- 0.92   0.364% *  0.0276% (0.28  1.00   0.02   7.87) =   0.000%
          HG    LEU   31 - HA    LEU   73  10.04 +/- 0.96   0.040% *  0.0959% (0.97  1.00   0.02   1.31) =   0.000%
          QG1   VAL   41 - HA    LEU   73   9.70 +/- 1.20   0.049% *  0.0446% (0.45  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  18.77 +/- 1.08   0.001% *  0.3391% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.17 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 171.7:
    * O T HA    LEU   73 - HB2   LEU   73   2.44 +/- 0.29 100.000% *100.0000% (1.00  10.0 10.00   5.00 171.70) = 100.000%  kept
    Distance limit 4.10 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 = 171.7:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.865% * 95.5463% (1.00  10.0 10.00   5.11 171.70) = 100.000%  kept
          HB    VAL   42 - HB2   LEU   73   6.85 +/- 0.98   0.054% *  0.0947% (0.99   1.0  1.00   0.02   1.40) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73  10.54 +/- 0.79   0.002% *  0.9221% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   5.97 +/- 0.38   0.070% *  0.0167% (0.18   1.0  1.00   0.02  40.49) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  13.97 +/- 1.66   0.001% *  0.9470% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  16.04 +/- 1.30   0.000% *  0.8820% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73  10.76 +/- 1.36   0.003% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  15.36 +/- 1.39   0.000% *  0.3586% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  18.94 +/- 2.30   0.000% *  0.9533% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  11.28 +/- 1.83   0.003% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  12.05 +/- 1.18   0.001% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  15.54 +/- 2.14   0.000% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  22.67 +/- 1.59   0.000% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  19.16 +/- 1.93   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  19.98 +/- 2.51   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 171.7:
    * O T QD1   LEU   73 - HB2   LEU   73   2.43 +/- 0.24  99.443% * 98.2281% (1.00  10.0 10.00   5.00 171.70) =  99.998%  kept
        T QD1   LEU   63 - HB2   LEU   73  10.21 +/- 1.96   0.190% *  0.9823% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB2   LEU   73   7.63 +/- 1.33   0.209% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  10.94 +/- 1.85   0.077% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  13.64 +/- 1.33   0.007% *  0.5561% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73   8.74 +/- 1.05   0.069% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  13.98 +/- 1.41   0.005% *  0.0820% (0.84   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 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 171.7:
    * O T QD2   LEU   73 - HB2   LEU   73   2.93 +/- 0.33  93.843% * 98.6124% (1.00  10.0 10.00   6.19 171.70) =  99.998%  kept
          QG1   VAL   43 - HB2   LEU   73   5.69 +/- 1.39   5.550% *  0.0274% (0.28   1.0  1.00   0.02   7.87) =   0.002%
        T QD1   ILE   56 - HB2   LEU   73  13.93 +/- 1.87   0.037% *  0.8844% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LEU   73   8.12 +/- 1.04   0.291% *  0.0952% (0.97   1.0  1.00   0.02   1.31) =   0.000%
          QG1   VAL   41 - HB2   LEU   73   8.73 +/- 1.33   0.277% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  18.94 +/- 1.31   0.002% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 171.7:
    * O T HA    LEU   73 - HB3   LEU   73   2.72 +/- 0.26 100.000% *100.0000% (1.00  10.0 10.00   5.11 171.70) = 100.000%  kept
    Distance limit 3.73 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 = 171.7:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.998% * 98.2609% (1.00  10.0 10.00   5.11 171.70) = 100.000%  kept
        T QD    LYS+ 102 - HB3   LEU   73  16.95 +/- 1.87   0.000% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.60 +/- 1.66   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  15.17 +/- 1.12   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.64 +/- 1.48   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  23.34 +/- 1.24   0.000% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  17.23 +/- 1.09   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  16.84 +/- 0.94   0.000% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  15.06 +/- 1.67   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  20.98 +/- 2.17   0.000% *  0.0636% (0.65   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 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 = 5.11, residual support = 171.7:
    * O T QD1   LEU   73 - HB3   LEU   73   2.32 +/- 0.13  99.707% * 97.5376% (1.00  10.0 10.00   5.11 171.70) =  99.998%  kept
        T QD2   LEU   80 - HB3   LEU   73   7.17 +/- 0.94   0.163% *  0.7810% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   73  10.01 +/- 1.95   0.042% *  0.9754% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  13.51 +/- 1.27   0.003% *  0.5522% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73   8.21 +/- 0.66   0.064% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  10.89 +/- 1.75   0.018% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  13.63 +/- 1.58   0.003% *  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 = 1.0, support = 6.24, residual support = 171.6:
    * O T QD2   LEU   73 - HB3   LEU   73   2.78 +/- 0.34  85.094% * 99.1570% (1.00  10.0 10.00   6.24 171.70) =  99.953%  kept
        T QG1   VAL   43 - HB3   LEU   73   5.24 +/- 1.47  14.369% *  0.2757% (0.28   1.0 10.00   0.02   7.87) =   0.047%
          HG    LEU   31 - HB3   LEU   73   7.97 +/- 1.00   0.329% *  0.0957% (0.97   1.0  1.00   0.02   1.31) =   0.000%
          QG1   VAL   41 - HB3   LEU   73   8.74 +/- 1.21   0.190% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   73  13.54 +/- 1.63   0.017% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  18.70 +/- 1.60   0.001% *  0.3382% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 171.7:
    *   T HA    LEU   73 - QD1   LEU   73   3.93 +/- 0.30  98.945% * 98.7705% (1.00 10.00   5.00 171.70) =  99.990%  kept
        T HA    LEU   73 - QD1   LEU   63   9.28 +/- 1.70   0.996% *  0.9877% (1.00 10.00   0.02   0.02) =   0.010%
        T HA    LEU   73 - QD1   LEU  104  14.04 +/- 1.17   0.060% *  0.2418% (0.24 10.00   0.02   0.02) =   0.000%
    Distance limit 4.85 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 = 0.938, support = 4.76, residual support = 161.1:
    * O T HB2   LEU   73 - QD1   LEU   73   2.43 +/- 0.24  30.365% * 92.1069% (1.00  10.0 10.00   5.00 171.70) =  93.127%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.45 +/- 0.78  42.227% *  3.7422% (0.05   1.0 10.00   1.49  16.92) =   5.262%  kept
          QD    LYS+  99 - QD1   LEU  104   2.74 +/- 0.87  26.784% *  1.8048% (0.23   1.0  1.00   1.73  16.92) =   1.610%  kept
        T HB2   LEU   73 - QD1   LEU   63  10.21 +/- 1.96   0.045% *  0.9211% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QD1   LEU   63   5.89 +/- 0.74   0.264% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   6.86 +/- 1.14   0.193% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   63   8.84 +/- 1.64   0.028% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63  10.63 +/- 1.34   0.012% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   63   9.76 +/- 1.26   0.009% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   8.21 +/- 0.63   0.027% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63   9.86 +/- 1.61   0.010% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  13.64 +/- 1.33   0.002% *  0.2255% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  11.17 +/- 1.22   0.004% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  12.00 +/- 1.65   0.003% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  12.62 +/- 0.79   0.002% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  11.31 +/- 1.60   0.006% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  12.60 +/- 1.09   0.001% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  14.31 +/- 2.28   0.003% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  12.80 +/- 1.21   0.003% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  11.43 +/- 1.08   0.003% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  12.94 +/- 1.39   0.002% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  11.50 +/- 1.97   0.004% *  0.0146% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  15.67 +/- 0.85   0.001% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  15.51 +/- 0.79   0.001% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.92 +/- 1.47   0.002% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  17.99 +/- 2.04   0.000% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  20.52 +/- 0.83   0.000% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.06 +/- 1.13   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.92 +/- 0.98   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.38 +/- 0.83   0.000% *  0.0202% (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 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 5.11, residual support = 171.7:
    * O T HB3   LEU   73 - QD1   LEU   73   2.32 +/- 0.13  93.496% * 96.9771% (1.00  10.0 10.00   5.11 171.70) =  99.996%  kept
          HB    VAL   42 - QD1   LEU   63   6.63 +/- 1.87   1.793% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QD1   LEU   73   5.61 +/- 0.66   0.591% *  0.0961% (0.99   1.0  1.00   0.02   1.40) =   0.001%
        T HB3   LEU   73 - QD1   LEU   63  10.01 +/- 1.95   0.035% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   73   7.30 +/- 1.22   0.193% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   6.97 +/- 1.27   0.563% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   5.15 +/- 0.72   1.297% *  0.0089% (0.09   1.0  1.00   0.02   8.33) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.52 +/- 0.80   0.052% *  0.0961% (0.99   1.0  1.00   0.02   1.18) =   0.000%
          QB    LEU   98 - QD1   LEU   73   7.57 +/- 0.88   0.102% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.35 +/- 1.55   0.100% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.75 +/- 0.61   0.196% *  0.0170% (0.18   1.0  1.00   0.02  40.49) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  10.48 +/- 1.84   0.033% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.58 +/- 1.20   0.441% *  0.0059% (0.06   1.0  1.00   0.02   8.33) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.34 +/- 0.67   0.114% *  0.0219% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   8.05 +/- 1.28   0.089% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.45 +/- 2.38   0.086% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63  10.02 +/- 1.56   0.023% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   7.12 +/- 1.97   0.519% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63  10.11 +/- 1.84   0.042% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   8.55 +/- 1.15   0.055% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   8.67 +/- 1.26   0.055% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  15.57 +/- 2.68   0.008% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  13.51 +/- 1.27   0.003% *  0.2374% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73   9.94 +/- 0.68   0.017% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  13.26 +/- 1.93   0.006% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  10.31 +/- 1.65   0.020% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.75 +/- 0.66   0.004% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  13.23 +/- 1.06   0.003% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.67 +/- 1.31   0.016% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  14.24 +/- 1.62   0.003% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  15.54 +/- 1.72   0.001% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.54 +/- 2.11   0.029% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  13.20 +/- 1.43   0.004% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.73 +/- 0.92   0.002% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.53 +/- 1.04   0.003% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  17.08 +/- 1.00   0.001% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  19.87 +/- 1.15   0.000% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  16.55 +/- 1.35   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.81 +/- 2.52   0.001% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  15.92 +/- 1.63   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  18.08 +/- 1.16   0.000% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.72 +/- 1.00   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.64 +/- 0.99   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  19.03 +/- 1.76   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  16.89 +/- 1.44   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 0.00 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 171.7:
    * O T QD2   LEU   73 - QD1   LEU   73   2.02 +/- 0.07  89.825% * 96.6209% (1.00  10.0 10.00   6.19 171.70) =  99.993%  kept
          QG1   VAL   43 - QD1   LEU   73   3.69 +/- 0.87   7.262% *  0.0269% (0.28   1.0  1.00   0.02   7.87) =   0.002%
          HG    LEU   31 - QD1   LEU   73   4.60 +/- 0.81   1.299% *  0.0932% (0.97   1.0  1.00   0.02   1.31) =   0.001%
        T QG1   VAL   41 - QD1   LEU   73   5.79 +/- 0.86   0.229% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - QD1   LEU   63   7.90 +/- 1.57   0.064% *  0.9662% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - QD1   LEU  104   6.08 +/- 1.37   0.526% *  0.0807% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   63   5.98 +/- 0.99   0.358% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   5.85 +/- 0.99   0.277% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   8.84 +/- 1.32   0.023% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.83 +/- 1.50   0.011% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104  10.31 +/- 1.08   0.008% *  0.2365% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.81 +/- 1.67   0.056% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.86 +/- 1.04   0.052% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  12.63 +/- 1.39   0.003% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  15.59 +/- 1.32   0.000% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  13.70 +/- 1.88   0.001% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  11.72 +/- 1.06   0.003% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.55 +/- 1.43   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 = 6.19, residual support = 171.7:
    *   T HA    LEU   73 - QD2   LEU   73   2.58 +/- 0.60  99.999% * 99.6602% (1.00 10.00   6.19 171.70) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  18.77 +/- 1.08   0.001% *  0.3398% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.09 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 171.7:
    * O T HB2   LEU   73 - QD2   LEU   73   2.93 +/- 0.33  98.523% * 98.3218% (1.00  10.0 10.00   6.19 171.70) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.62 +/- 0.53   0.183% *  0.2169% (0.22   1.0 10.00   0.02   2.18) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  11.74 +/- 1.43   0.062% *  0.3035% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121   8.89 +/- 1.93   0.605% *  0.0310% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  10.91 +/- 0.93   0.049% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121   9.12 +/- 0.84   0.137% *  0.0317% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  12.68 +/- 1.45   0.030% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121   9.64 +/- 1.78   0.278% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  13.40 +/- 0.73   0.014% *  0.1035% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  15.41 +/- 1.73   0.009% *  0.0949% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  11.33 +/- 0.73   0.037% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.44 +/- 1.54   0.017% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.83 +/- 1.41   0.010% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  18.94 +/- 1.31   0.002% *  0.3353% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.82 +/- 1.68   0.027% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.46 +/- 1.74   0.005% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  15.64 +/- 1.52   0.006% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  19.77 +/- 1.19   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  17.10 +/- 2.04   0.004% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  18.92 +/- 1.63   0.002% *  0.0324% (0.33   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 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.92, support = 6.18, residual support = 182.5:
    * O T HB3   LEU   73 - QD2   LEU   73   2.78 +/- 0.34  33.805% * 89.5675% (1.00  10.0 10.00   6.24 171.70) =  90.812%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.50 +/- 0.31  59.466% *  4.7126% (0.05  10.0 10.00   5.98 315.59) =   8.405%  kept
          HB    VAL   42 - QD2   LEU   73   4.46 +/- 1.00   5.955% *  4.3817% (0.99   1.0  1.00   0.99   1.40) =   0.783%  kept
          HG3   LYS+  33 - QD2   LEU   73   7.82 +/- 1.52   0.171% *  0.0864% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   73   5.96 +/- 0.52   0.366% *  0.0157% (0.18   1.0  1.00   0.02  40.49) =   0.000%
          QB    LEU   98 - QD2   LEU   73   8.06 +/- 0.55   0.056% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   73   8.57 +/- 1.23   0.051% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121   8.92 +/- 0.71   0.037% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  11.23 +/- 1.03   0.008% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  12.62 +/- 2.08   0.011% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  12.78 +/- 1.38   0.004% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  10.78 +/- 1.00   0.011% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  14.73 +/- 1.39   0.003% *  0.0894% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  15.05 +/- 1.86   0.001% *  0.1382% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  12.75 +/- 1.29   0.004% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  18.70 +/- 1.60   0.000% *  0.3054% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  11.06 +/- 1.16   0.011% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  13.00 +/- 1.43   0.004% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.74 +/- 0.93   0.020% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  13.72 +/- 1.84   0.003% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  12.30 +/- 1.67   0.007% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  18.69 +/- 1.56   0.000% *  0.0878% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.09 +/- 0.95   0.001% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.53 +/- 2.21   0.001% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  15.91 +/- 1.57   0.001% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.48 +/- 1.66   0.001% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  21.59 +/- 1.64   0.000% *  0.0295% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  19.67 +/- 0.94   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  25.39 +/- 1.72   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  21.10 +/- 1.19   0.000% *  0.0053% (0.06   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 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 171.7:
    * O T QD1   LEU   73 - QD2   LEU   73   2.02 +/- 0.07  98.867% * 97.3141% (1.00  10.0 10.00   6.19 171.70) =  99.997%  kept
        T QD1   LEU  104 - HG3   LYS+ 121   6.08 +/- 1.37   0.809% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   63 - QD2   LEU   73   7.90 +/- 1.57   0.068% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HG3   LYS+ 121   8.84 +/- 1.32   0.024% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73   7.33 +/- 0.86   0.067% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73  10.31 +/- 1.08   0.008% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   8.30 +/- 1.50   0.042% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   8.25 +/- 1.72   0.057% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   7.86 +/- 0.87   0.041% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  11.37 +/- 1.52   0.005% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.50 +/- 0.58   0.010% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  15.59 +/- 1.32   0.001% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  20.45 +/- 1.33   0.000% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  18.83 +/- 1.05   0.000% *  0.0058% (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 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 = 187.0:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.68 +/- 0.13  99.789% * 99.4757% (0.64  10.0 10.00   6.31 187.01) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   7.89 +/- 0.37   0.167% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  12.62 +/- 1.18   0.011% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  13.84 +/- 0.50   0.006% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  14.40 +/- 1.63   0.006% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  16.62 +/- 0.77   0.002% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  14.34 +/- 1.10   0.005% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.71 +/- 1.08   0.007% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  13.95 +/- 1.03   0.006% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  17.54 +/- 1.06   0.001% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.0:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.45 +/- 0.32  99.825% * 99.1206% (0.80  10.0 10.00   6.28 187.01) = 100.000%  kept
          HG13  ILE   19 - HA    LYS+  74   8.99 +/- 0.49   0.055% *  0.0915% (0.74   1.0  1.00   0.02   8.41) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.30 +/- 0.83   0.016% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74   9.86 +/- 2.29   0.075% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  11.50 +/- 0.81   0.014% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.55 +/- 0.68   0.007% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  12.87 +/- 0.58   0.006% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  19.29 +/- 1.12   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.88 +/- 0.93   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  21.44 +/- 0.80   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 0.02 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.791, support = 5.56, residual support = 184.2:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.55 +/- 0.11  80.638% * 92.2577% (0.80  10.0 10.00   5.57 187.01) =  98.172%  kept
          HB    VAL   75 - HA    LYS+  74   4.59 +/- 0.33  18.883% *  7.3337% (0.25   1.0  1.00   5.15  31.96) =   1.827%  kept
          QD2   LEU   71 - HA    LYS+  74   9.73 +/- 0.35   0.200% *  0.0634% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    LYS+  74  11.13 +/- 0.80   0.097% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LYS+  74  12.03 +/- 0.98   0.061% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LYS+  74  13.72 +/- 0.71   0.026% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LYS+  74  12.24 +/- 1.15   0.058% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LYS+  74  13.19 +/- 1.15   0.037% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.42 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.0:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.70 +/- 0.66  99.729% * 99.2156% (0.80 10.00   5.91 187.01) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74   9.16 +/- 1.42   0.170% *  0.0861% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74  10.39 +/- 0.55   0.063% *  0.0483% (0.39  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  13.41 +/- 1.16   0.017% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  12.97 +/- 0.74   0.015% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  20.07 +/- 0.72   0.001% *  0.3384% (0.27 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  17.09 +/- 0.81   0.003% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  21.13 +/- 0.97   0.001% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  20.72 +/- 1.64   0.001% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 187.0:
    *   T QE    LYS+  74 - HA    LYS+  74   2.71 +/- 0.59  99.294% * 99.7560% (0.80 10.00   4.93 187.01) = 100.000%  kept
          HB2   PHE   72 - HA    LYS+  74   7.06 +/- 0.67   0.634% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    LYS+  74  10.88 +/- 1.59   0.046% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  12.24 +/- 0.73   0.023% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  18.02 +/- 0.71   0.003% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 2 structures by 0.23 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.0:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.68 +/- 0.13  99.985% * 99.8966% (0.64  10.0 10.00   6.31 187.01) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  12.89 +/- 0.70   0.009% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  14.44 +/- 1.67   0.007% *  0.0278% (0.18   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 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 = 187.0:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.00 +/- 0.07  99.315% * 99.1206% (0.80  10.0 10.00   5.85 187.01) = 100.000%  kept
          HG13  ILE   19 - HB2   LYS+  74   7.81 +/- 0.78   0.372% *  0.0915% (0.74   1.0  1.00   0.02   8.41) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  10.47 +/- 2.28   0.239% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  74  11.75 +/- 1.09   0.034% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  12.95 +/- 0.80   0.017% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  14.30 +/- 0.72   0.009% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  13.85 +/- 0.80   0.011% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  20.83 +/- 1.25   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  20.44 +/- 1.04   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  22.51 +/- 0.85   0.001% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.08 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.0:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.62 +/- 0.14  99.449% * 97.9320% (0.80  10.0 10.00   5.27 187.01) = 100.000%  kept
        T QD1   LEU   67 - HB2   LYS+  74  11.44 +/- 1.43   0.021% *  0.9040% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  74   6.57 +/- 0.43   0.462% *  0.0302% (0.25   1.0  1.00   0.02  31.96) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  13.32 +/- 1.09   0.007% *  0.8783% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  74   9.74 +/- 0.80   0.046% *  0.0673% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  12.78 +/- 1.03   0.010% *  0.0368% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  15.62 +/- 0.87   0.002% *  0.0960% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  15.13 +/- 1.08   0.003% *  0.0554% (0.45   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 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.0:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.46 +/- 0.47  99.826% * 97.4681% (0.80  10.0 10.00   6.31 187.01) = 100.000%  kept
          QB    ALA   57 - HB2   LYS+  74   8.83 +/- 1.52   0.141% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+  74  11.87 +/- 0.92   0.014% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  12.23 +/- 0.69   0.011% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  18.52 +/- 0.96   0.001% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  13.49 +/- 1.47   0.007% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  22.76 +/- 1.10   0.000% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  21.05 +/- 0.89   0.000% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  21.33 +/- 1.61   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 = 187.0:
    *   T QE    LYS+  74 - HB2   LYS+  74   3.00 +/- 0.65  98.553% * 99.7560% (0.80 10.00   4.62 187.01) =  99.999%  kept
          HB2   PHE   72 - HB2   LYS+  74   6.93 +/- 0.88   1.309% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   LYS+  74  10.79 +/- 1.90   0.099% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  12.42 +/- 1.10   0.036% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  18.19 +/- 0.96   0.003% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 187.0:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.45 +/- 0.32  99.913% * 99.7790% (0.80  10.0 10.00   6.28 187.01) = 100.000%  kept
          HA    THR   94 - HG2   LYS+  74  11.17 +/- 0.76   0.014% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  12.40 +/- 1.45   0.013% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111   9.93 +/- 1.24   0.036% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  10.77 +/- 1.42   0.024% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  19.29 +/- 1.12   0.001% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 187.0:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.00 +/- 0.07  98.868% * 99.3145% (0.80  10.0 10.00   5.85 187.01) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   8.93 +/- 0.52   0.156% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   8.34 +/- 1.18   0.357% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  12.65 +/- 1.64   0.026% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   7.65 +/- 0.87   0.501% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  14.23 +/- 1.75   0.012% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  15.69 +/- 1.03   0.005% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  13.89 +/- 1.43   0.014% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  17.09 +/- 1.14   0.003% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.25 +/- 0.90   0.026% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  15.45 +/- 1.74   0.007% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  15.57 +/- 1.55   0.006% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  20.83 +/- 1.25   0.001% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  18.57 +/- 1.36   0.002% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  14.34 +/- 1.68   0.011% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  22.86 +/- 1.47   0.001% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  22.49 +/- 1.40   0.001% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  23.24 +/- 0.93   0.000% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  22.15 +/- 1.94   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.18 +/- 1.45   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 0.20 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 = 187.0:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.880% * 99.3075% (1.00  10.0 10.00   4.54 187.01) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.70 +/- 0.69   0.113% *  0.0307% (0.31   1.0  1.00   0.02  31.96) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  11.14 +/- 0.68   0.002% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  12.04 +/- 1.10   0.001% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  13.61 +/- 1.19   0.001% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  12.66 +/- 1.48   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.05 +/- 0.72   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.58 +/- 1.04   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  19.89 +/- 1.39   0.000% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  13.98 +/- 1.24   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.87 +/- 1.08   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  22.20 +/- 1.50   0.000% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  15.44 +/- 1.53   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.65 +/- 1.99   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.60 +/- 1.28   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  19.80 +/- 1.74   0.000% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.924, support = 5.53, residual support = 197.7:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.82 +/- 0.20  49.534% * 89.4618% (1.00  10.0 10.00   5.54 187.01) =  91.694%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.81 +/- 0.23  50.263% *  7.9861% (0.09  10.0 10.00   5.40 315.43) =   8.306%  kept
          QB    ALA   57 - HG2   LYS+  74   7.98 +/- 1.43   0.165% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.89 +/- 1.25   0.007% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.98 +/- 1.32   0.003% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.35 +/- 0.78   0.012% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  21.05 +/- 1.26   0.000% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  13.10 +/- 2.14   0.010% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.90 +/- 1.06   0.000% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  18.83 +/- 1.34   0.001% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.14 +/- 1.27   0.001% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  21.35 +/- 1.63   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.39 +/- 1.92   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.79 +/- 0.86   0.002% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.87 +/- 1.43   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.04 +/- 1.18   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.98 +/- 1.35   0.000% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.09 +/- 1.38   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.0:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.69 +/- 0.58  99.283% * 99.6238% (1.00  10.0 10.00   4.54 187.01) = 100.000%  kept
          QB    CYS   50 - HG2   LYS+  74   9.23 +/- 1.78   0.195% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG2   LYS+  74   8.33 +/- 1.13   0.447% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+  74  11.09 +/- 1.28   0.061% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  15.84 +/- 1.32   0.004% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  19.52 +/- 1.33   0.002% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  15.02 +/- 1.84   0.007% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  21.53 +/- 1.22   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  23.21 +/- 1.76   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  27.49 +/- 1.67   0.000% *  0.0081% (0.08   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 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 187.0:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.55 +/- 0.11  99.877% * 99.8966% (0.80  10.0 10.00   5.57 187.01) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  12.39 +/- 0.81   0.060% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  13.11 +/- 1.49   0.062% *  0.0278% (0.22   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 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.0:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.62 +/- 0.14  99.908% * 98.5261% (0.80  10.0 10.00   5.27 187.01) = 100.000%  kept
        T HG    LEU  115 - HG3   LYS+  74  14.73 +/- 1.78   0.005% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+  74   9.27 +/- 0.63   0.059% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  12.07 +/- 1.33   0.013% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  16.52 +/- 1.30   0.002% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  16.48 +/- 0.78   0.002% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  14.54 +/- 1.39   0.006% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  17.52 +/- 1.04   0.001% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  15.76 +/- 1.61   0.003% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  19.44 +/- 1.32   0.001% *  0.0462% (0.38   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 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.0:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.903% * 99.1206% (1.00  10.0 10.00   4.54 187.01) = 100.000%  kept
          QG2   ILE   56 - HG3   LYS+  74   9.46 +/- 2.42   0.091% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG3   LYS+  74   9.71 +/- 0.81   0.004% *  0.0915% (0.92   1.0  1.00   0.02   8.41) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.76 +/- 0.95   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  13.23 +/- 0.83   0.001% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  13.57 +/- 1.10   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  14.54 +/- 0.98   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  19.89 +/- 1.39   0.000% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  21.91 +/- 1.09   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  24.37 +/- 1.03   0.000% *  0.0338% (0.34   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 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 = 187.0:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.88 +/- 0.12  99.167% * 99.2156% (1.00  10.0 10.00   4.97 187.01) =  99.999%  kept
          QB    ALA   57 - HG3   LYS+  74   7.50 +/- 1.50   0.789% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HG3   LYS+  74  12.22 +/- 1.02   0.020% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  12.63 +/- 0.64   0.015% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  15.35 +/- 1.37   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  22.68 +/- 0.93   0.000% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  18.97 +/- 1.14   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  21.86 +/- 1.35   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  21.72 +/- 1.77   0.001% *  0.0562% (0.57   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 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.0:
    * O T QE    LYS+  74 - HG3   LYS+  74   3.01 +/- 0.45  99.233% * 99.7560% (1.00  10.0 10.00   4.00 187.01) =  99.999%  kept
          QB    CYS   50 - HG3   LYS+  74   8.92 +/- 1.90   0.372% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+  74   8.51 +/- 0.87   0.338% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  11.27 +/- 1.05   0.055% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  19.80 +/- 0.99   0.002% *  0.0762% (0.76   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 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.0:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.70 +/- 0.66  99.941% * 99.6012% (0.80 10.00   5.91 187.01) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  11.09 +/- 1.21   0.031% *  0.0754% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  12.61 +/- 1.94   0.026% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  20.07 +/- 0.72   0.001% *  0.2184% (0.18 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  22.16 +/- 0.89   0.001% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  28.04 +/- 0.99   0.000% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 187.0:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.46 +/- 0.47  99.754% * 98.0482% (0.80  10.0 10.00   6.31 187.01) = 100.000%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  11.53 +/- 1.81   0.015% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+  74   9.39 +/- 0.50   0.057% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   9.23 +/- 0.60   0.080% *  0.0241% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  13.66 +/- 1.75   0.008% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD2   LYS+  74  17.75 +/- 1.39   0.001% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+  74  14.90 +/- 1.05   0.003% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.88 +/- 0.58   0.051% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  17.39 +/- 2.11   0.002% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  16.28 +/- 0.94   0.002% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  13.35 +/- 1.10   0.007% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+  74  14.44 +/- 1.51   0.004% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  21.05 +/- 0.89   0.000% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  14.84 +/- 0.79   0.003% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.87 +/- 1.03   0.001% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  17.41 +/- 1.98   0.002% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.44 +/- 0.50   0.003% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  14.25 +/- 1.39   0.005% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  24.24 +/- 2.02   0.000% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  23.50 +/- 1.71   0.000% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 1 structures by 0.25 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.836, support = 5.52, residual support = 192.6:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.82 +/- 0.20  25.681% * 90.7641% (1.00  10.0 10.00   5.54 187.01) =  82.294%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.32 +/- 0.15  73.862% *  6.7893% (0.07  10.0 10.00   5.42 218.54) =  17.704%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.85 +/- 1.10   0.196% *  0.1986% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HD2   LYS+  74   8.83 +/- 2.19   0.105% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.56 +/- 0.95   0.020% *  0.0838% (0.92   1.0  1.00   0.02   8.41) =   0.000%
          QG2   THR   39 - QD    LYS+  38   6.90 +/- 0.35   0.116% *  0.0121% (0.13   1.0  1.00   0.02  22.95) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.73 +/- 1.05   0.003% *  0.0906% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.24 +/- 1.15   0.000% *  0.9056% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.93 +/- 1.26   0.003% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  12.59 +/- 1.30   0.004% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.64 +/- 1.42   0.007% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.50 +/- 0.92   0.002% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  18.83 +/- 1.34   0.000% *  0.3406% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  23.02 +/- 1.02   0.000% *  0.3096% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.90 +/- 1.06   0.000% *  0.1990% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  17.78 +/- 1.54   0.000% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.98 +/- 1.35   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.45 +/- 1.13   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  24.01 +/- 1.25   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.43 +/- 1.54   0.000% *  0.0039% (0.04   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 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.0:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.88 +/- 0.12  97.504% * 99.2094% (1.00  10.0 10.00   4.97 187.01) =  99.999%  kept
          HB    VAL   75 - HD2   LYS+  74   6.51 +/- 1.20   1.925% *  0.0306% (0.31   1.0  1.00   0.02  31.96) =   0.001%
          QD2   LEU   40 - QD    LYS+  38   7.80 +/- 0.58   0.303% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HD2   LYS+  74  11.30 +/- 1.28   0.038% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HD2   LYS+  74  10.66 +/- 0.96   0.045% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  13.05 +/- 1.13   0.015% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  11.74 +/- 1.07   0.029% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38  10.22 +/- 1.04   0.060% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  14.76 +/- 1.19   0.007% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  14.45 +/- 1.56   0.009% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.02 +/- 1.06   0.021% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  12.59 +/- 0.97   0.018% *  0.0213% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  12.66 +/- 1.35   0.022% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  22.68 +/- 0.93   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  16.29 +/- 1.63   0.004% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  20.48 +/- 0.81   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 187.0:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.24 +/- 0.09  99.815% * 99.4851% (1.00  10.0 10.00   4.97 187.01) = 100.000%  kept
          HB2   PHE   72 - HD2   LYS+  74   7.37 +/- 1.35   0.132% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HD2   LYS+  74   9.63 +/- 1.83   0.034% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  12.31 +/- 1.57   0.006% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  10.74 +/- 1.16   0.012% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  19.23 +/- 0.71   0.000% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  18.49 +/- 1.37   0.000% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  16.26 +/- 0.83   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  26.95 +/- 1.15   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  29.51 +/- 1.14   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.0:
    *   T HA    LYS+  74 - QE    LYS+  74   2.71 +/- 0.59  99.790% * 99.8966% (0.80 10.00   4.93 187.01) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74   9.15 +/- 1.03   0.115% *  0.0757% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74  10.49 +/- 1.42   0.095% *  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 = 187.0:
    *   T HB2   LYS+  74 - QE    LYS+  74   3.00 +/- 0.65  99.345% * 99.4757% (0.80 10.00   4.62 187.01) = 100.000%  kept
          QG2   THR   26 - QE    LYS+  74   8.95 +/- 0.48   0.225% *  0.0654% (0.53  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  11.31 +/- 1.48   0.085% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74  10.17 +/- 1.61   0.115% *  0.0557% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  13.24 +/- 1.12   0.024% *  0.1114% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  11.02 +/- 1.20   0.111% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  13.95 +/- 0.91   0.018% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  12.69 +/- 1.37   0.036% *  0.0310% (0.25  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  13.07 +/- 0.98   0.029% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  15.22 +/- 1.41   0.012% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 187.0:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.69 +/- 0.58  98.435% * 99.1206% (1.00  10.0 10.00   4.54 187.01) =  99.999%  kept
          QG2   ILE   56 - QE    LYS+  74   7.22 +/- 1.96   1.272% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  74   9.25 +/- 0.84   0.159% *  0.0915% (0.92   1.0  1.00   0.02   8.41) =   0.000%
          HG    LEU   71 - QE    LYS+  74  11.68 +/- 1.13   0.042% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  74  11.03 +/- 0.97   0.036% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  10.79 +/- 1.34   0.032% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  15.84 +/- 1.32   0.004% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  12.24 +/- 0.99   0.019% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  17.89 +/- 1.12   0.002% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  20.70 +/- 1.13   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 0.01 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.0:
    * O T HG3   LYS+  74 - QE    LYS+  74   3.01 +/- 0.45  95.456% * 99.5285% (1.00  10.0 10.00   4.00 187.01) =  99.998%  kept
          HB    VAL   75 - QE    LYS+  74   5.91 +/- 0.91   4.085% *  0.0307% (0.31   1.0  1.00   0.02  31.96) =   0.001%
          QD1   LEU   67 - QE    LYS+  74   9.82 +/- 1.30   0.119% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QE    LYS+  74   9.83 +/- 0.88   0.114% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74   9.98 +/- 1.00   0.126% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  11.48 +/- 1.00   0.046% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  12.80 +/- 1.07   0.027% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  12.62 +/- 1.02   0.028% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.0:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.24 +/- 0.09  98.838% * 99.2156% (1.00  10.0 10.00   4.97 187.01) =  99.999%  kept
          QB    ALA   57 - QE    LYS+  74   6.37 +/- 1.46   1.136% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QE    LYS+  74  10.54 +/- 1.28   0.012% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  11.03 +/- 1.14   0.009% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  13.69 +/- 1.13   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  19.23 +/- 0.71   0.000% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  14.80 +/- 1.31   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  17.58 +/- 1.28   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  17.56 +/- 1.31   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 84.2:
    * O T HB    VAL   75 - HA    VAL   75   2.61 +/- 0.35  98.892% * 99.3939% (1.00  10.0 10.00   3.44  84.24) = 100.000%  kept
          HG3   LYS+  74 - HA    VAL   75   5.88 +/- 0.48   1.083% *  0.0307% (0.31   1.0  1.00   0.02  31.96) =   0.000%
        T QD1   ILE  119 - HA    VAL   75  13.99 +/- 1.10   0.007% *  0.4086% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    VAL   75  14.19 +/- 1.08   0.007% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  14.33 +/- 0.90   0.005% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  14.91 +/- 0.82   0.004% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  18.48 +/- 0.99   0.001% *  0.0174% (0.18   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 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.2:
    * O T QG1   VAL   75 - HA    VAL   75   2.58 +/- 0.19  99.994% * 99.9055% (1.00  10.0 10.00   4.00  84.24) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  13.69 +/- 1.44   0.006% *  0.0945% (0.95   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 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.2:
    * O T QG2   VAL   75 - HA    VAL   75   2.75 +/- 0.44  99.957% * 99.9036% (1.00  10.0 10.00   4.00  84.24) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  10.91 +/- 0.80   0.043% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.05 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.2:
    * O T HA    VAL   75 - HB    VAL   75   2.61 +/- 0.35  99.978% * 99.7003% (1.00  10.0 10.00   3.44  84.24) = 100.000%  kept
        T HA    ILE  119 - HB    VAL   75  16.87 +/- 1.57   0.003% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HB    VAL   75  15.79 +/- 1.67   0.004% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  13.07 +/- 0.98   0.010% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  15.52 +/- 1.17   0.004% *  0.0135% (0.14   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 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 = 84.2:
    * O T QG1   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.997% * 99.9055% (1.00  10.0 10.00   3.44  84.24) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  12.80 +/- 1.62   0.003% *  0.0945% (0.95   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 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.2:
    * O T QG2   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.986% * 99.0442% (1.00  10.0 10.00   3.31  84.24) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75   9.75 +/- 0.88   0.014% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.2:
    * O T HA    VAL   75 - QG1   VAL   75   2.58 +/- 0.19  99.970% * 99.6578% (1.00  10.0 10.00   4.00  84.24) = 100.000%  kept
        T HA    ALA   61 - QG1   VAL   75  12.38 +/- 0.65   0.010% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   75  14.00 +/- 1.11   0.005% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.03 +/- 0.91   0.012% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  15.28 +/- 0.94   0.003% *  0.0175% (0.18   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 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.2:
    * O T HB    VAL   75 - QG1   VAL   75   2.13 +/- 0.01  99.886% * 99.7607% (1.00  10.0 10.00   3.44  84.24) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.85 +/- 0.44   0.098% *  0.0308% (0.31   1.0  1.00   0.02  31.96) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  11.73 +/- 0.86   0.004% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  11.28 +/- 0.71   0.005% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  11.96 +/- 1.01   0.004% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  12.72 +/- 0.66   0.002% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  14.70 +/- 0.82   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 84.2:
    * O T QG2   VAL   75 - QG1   VAL   75   2.08 +/- 0.04  99.986% * 99.9036% (1.00  10.0 10.00   4.00  84.24) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   9.34 +/- 0.65   0.014% *  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 = 84.2:
    * O T HA    VAL   75 - QG2   VAL   75   2.75 +/- 0.44  99.906% * 99.8572% (1.00  10.0 10.00   4.00  84.24) = 100.000%  kept
          HD3   PRO   58 - QG2   VAL   75  13.04 +/- 1.06   0.015% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG2   VAL   75  10.62 +/- 0.67   0.053% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  13.44 +/- 0.92   0.011% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  13.30 +/- 1.06   0.015% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.2:
    * O T HB    VAL   75 - QG2   VAL   75   2.13 +/- 0.01  99.720% * 99.7607% (1.00  10.0 10.00   3.31  84.24) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   5.89 +/- 0.35   0.242% *  0.0308% (0.31   1.0  1.00   0.02  31.96) =   0.000%
          QD2   LEU   40 - QG2   VAL   75  10.03 +/- 0.91   0.011% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75  10.25 +/- 0.77   0.009% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  10.57 +/- 1.08   0.008% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  10.82 +/- 0.71   0.006% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.97 +/- 0.84   0.002% *  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 = 84.2:
    * O T QG1   VAL   75 - QG2   VAL   75   2.08 +/- 0.04  99.991% * 99.9055% (1.00  10.0 10.00   4.00  84.24) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  10.37 +/- 1.30   0.009% *  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 = 2.88, residual support = 36.0:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.97 +/- 0.06  93.538% * 99.1090% (1.00  10.0 10.00   2.88  36.04) =  99.996%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.25 +/- 0.43   3.553% *  0.0720% (0.73   1.0  1.00   0.02   3.24) =   0.003%
        T QE    LYS+  66 - HA    LEU   67   6.70 +/- 1.12   1.884% *  0.0362% (0.04   1.0 10.00   0.02  10.29) =   0.001%
          HB2   ASN   69 - HA    LEU   67   6.64 +/- 0.78   1.005% *  0.0159% (0.16   1.0  1.00   0.02   2.96) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  18.05 +/- 1.17   0.002% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  14.33 +/- 2.04   0.011% *  0.0362% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  20.99 +/- 1.03   0.001% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  22.61 +/- 1.32   0.001% *  0.1626% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  16.00 +/- 0.50   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  24.27 +/- 0.59   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  26.35 +/- 1.35   0.000% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  22.62 +/- 0.88   0.001% *  0.0025% (0.03   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 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 36.0:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.75 +/- 0.12  99.736% * 99.2676% (0.87  10.0 10.00   2.99  36.04) = 100.000%  kept
          QG    GLN   90 - HA    ASP-  76   8.90 +/- 1.84   0.181% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  76  12.85 +/- 2.03   0.023% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  12.88 +/- 0.56   0.010% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  11.12 +/- 1.10   0.029% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  16.48 +/- 0.72   0.002% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  14.28 +/- 1.46   0.007% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  19.69 +/- 0.72   0.001% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  17.62 +/- 0.71   0.002% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  15.48 +/- 1.23   0.004% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  23.03 +/- 1.29   0.000% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  15.50 +/- 0.74   0.003% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  24.87 +/- 1.10   0.000% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  21.24 +/- 1.31   0.001% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  24.80 +/- 1.46   0.000% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  23.88 +/- 1.03   0.000% *  0.0025% (0.02   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 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.88, residual support = 36.0:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.97 +/- 0.06  98.023% * 99.3094% (1.00  10.0 10.00   2.88  36.04) =  99.999%  kept
        T HA    LEU   67 - QE    LYS+  66   6.70 +/- 1.12   1.962% *  0.0515% (0.05   1.0 10.00   0.02  10.29) =   0.001%
        T HA    LEU   67 - QE    LYS+  33  14.33 +/- 2.04   0.012% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  33  18.05 +/- 1.17   0.002% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  20.99 +/- 1.03   0.001% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  22.61 +/- 1.32   0.001% *  0.2476% (0.25   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 908 (2.90, 2.90, 42.19 ppm):
    3 diagonal assignments:
    *     HB2   ASP-  76 - HB2   ASP-  76  (1.00)  kept
          QE    LYS+  66 - QE    LYS+  66  (0.05)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.03)  kept
 
    Peak 909 (2.24, 2.90, 42.19 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.86, residual support = 36.0:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.753% * 98.9845% (0.87  10.0 10.00   2.86  36.04) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   7.17 +/- 1.91   0.209% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   8.61 +/- 2.20   0.029% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  10.31 +/- 1.90   0.004% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  15.48 +/- 2.23   0.000% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  11.27 +/- 1.64   0.002% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  15.19 +/- 0.91   0.000% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  13.68 +/- 2.25   0.001% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  18.34 +/- 1.41   0.000% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  14.50 +/- 0.64   0.000% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  22.76 +/- 1.04   0.000% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  21.95 +/- 0.71   0.000% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  14.36 +/- 0.69   0.000% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  20.01 +/- 0.68   0.000% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  19.24 +/- 1.86   0.000% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  17.09 +/- 1.50   0.000% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  25.51 +/- 1.16   0.000% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  19.77 +/- 1.37   0.000% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  21.45 +/- 2.16   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  20.04 +/- 1.76   0.000% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  24.36 +/- 0.92   0.000% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  26.27 +/- 1.36   0.000% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  20.76 +/- 1.14   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  22.63 +/- 1.32   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 36.0:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.75 +/- 0.12 100.000% * 99.7513% (0.87  10.0 10.00   2.99  36.04) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  23.03 +/- 1.29   0.000% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.86, residual support = 36.0:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  97.361% * 99.3726% (0.87  10.0 10.00   2.86  36.04) =  99.998%  kept
          HB2   ASP-  78 - HB3   ASP-  76   3.72 +/- 0.87   2.639% *  0.0722% (0.63   1.0  1.00   0.02   3.24) =   0.002%
        T QE    LYS+  33 - HB3   ASP-  76  18.34 +/- 1.41   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  22.76 +/- 1.04   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  15.88 +/- 0.77   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  25.70 +/- 0.93   0.000% *  0.0974% (0.85   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 912 (2.24, 2.24, 42.19 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  76 - HB3   ASP-  76  (0.75)  kept
 
    Peak 913 (3.58, 3.58, 65.17 ppm):
    1 diagonal assignment:
    *     HA    THR   77 - HA    THR   77  (1.00)  kept
 
    Peak 914 (4.28, 3.58, 65.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T HB    THR   77 - HA    THR   77   2.55 +/- 0.08  99.322% * 99.3000% (1.00  10.0 10.00   3.00  37.76) = 100.000%  kept
          HA    GLU-  79 - HA    THR   77   6.13 +/- 0.26   0.556% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HA    THR   77   8.70 +/- 0.66   0.071% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    THR   77  10.15 +/- 0.46   0.028% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  11.14 +/- 0.55   0.015% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  14.42 +/- 0.88   0.003% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  14.64 +/- 1.24   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  19.04 +/- 1.26   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  23.93 +/- 0.53   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  25.07 +/- 1.21   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  32.70 +/- 2.16   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  30.55 +/- 2.06   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.45 +/- 0.17  99.937% * 99.7982% (1.00  10.0 10.00   3.00  37.76) = 100.000%  kept
          QB    ALA   88 - HA    THR   77   9.45 +/- 0.53   0.033% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77   9.85 +/- 0.62   0.029% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  20.03 +/- 1.66   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  24.03 +/- 0.82   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  27.21 +/- 0.74   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T HA    THR   77 - HB    THR   77   2.55 +/- 0.08  99.965% * 99.9104% (1.00  10.0 10.00   3.00  37.76) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77  10.87 +/- 1.55   0.027% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  12.68 +/- 0.85   0.008% *  0.0448% (0.45   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 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.83, residual support = 37.8:
    * O T QG2   THR   77 - HB    THR   77   2.15 +/- 0.02  99.974% * 99.5496% (1.00  10.0 10.00   2.83  37.76) = 100.000%  kept
          QB    ALA   88 - HB    THR   77   8.91 +/- 0.64   0.022% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   77  11.80 +/- 0.63   0.004% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  18.78 +/- 1.69   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  25.38 +/- 1.14   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  29.03 +/- 1.10   0.000% *  0.0446% (0.45   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 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   2.45 +/- 0.17  99.788% * 99.9104% (1.00  10.0 10.00   3.00  37.76) = 100.000%  kept
          HD2   PRO   93 - QG2   THR   77   7.82 +/- 1.20   0.186% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - QG2   THR   77   9.98 +/- 0.59   0.026% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.83, residual support = 37.8:
    * O T HB    THR   77 - QG2   THR   77   2.15 +/- 0.02  99.759% * 99.3000% (1.00  10.0 10.00   2.83  37.76) = 100.000%  kept
          HA    ASP-  44 - QG2   THR   77   7.31 +/- 0.45   0.072% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   77   7.55 +/- 0.82   0.067% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   77   7.31 +/- 0.34   0.071% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77  10.10 +/- 0.90   0.011% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77   9.95 +/- 0.70   0.011% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  10.42 +/- 1.02   0.009% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  15.25 +/- 1.04   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.87 +/- 0.45   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  21.10 +/- 1.00   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  27.79 +/- 1.77   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  25.88 +/- 1.59   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 = 3.22, residual support = 38.9:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.92 +/- 0.19  98.420% * 99.6931% (1.00  10.0 10.00   3.22  38.91) =  99.999%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.09 +/- 0.55   1.564% *  0.0724% (0.73   1.0  1.00   0.02   3.24) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  13.06 +/- 0.47   0.013% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  18.20 +/- 0.45   0.002% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.12 +/- 1.24   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  22.05 +/- 1.24   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  30.20 +/- 0.66   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 38.9:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.69 +/- 0.17  99.927% * 99.8720% (1.00  10.0 10.00   2.31  38.91) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78  10.08 +/- 0.88   0.049% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.59 +/- 1.39   0.024% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  27.59 +/- 1.60   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  25.16 +/- 1.54   0.000% *  0.0154% (0.15   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 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.22, residual support = 38.9:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.92 +/- 0.19  99.688% * 99.8154% (1.00  10.0 10.00   3.22  38.91) = 100.000%  kept
          HA    LEU   80 - HB2   ASP-  78   8.25 +/- 0.35   0.221% *  0.0486% (0.49   1.0  1.00   0.02   2.80) =   0.000%
          HA    THR   23 - HB2   ASP-  78  10.21 +/- 0.84   0.069% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP-  78  12.41 +/- 1.11   0.022% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  24.80 +/- 0.93   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.64, residual support = 38.9:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.988% * 99.8720% (1.00  10.0 10.00   2.64  38.91) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   9.09 +/- 1.23   0.008% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78  10.42 +/- 1.44   0.004% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  26.92 +/- 1.70   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  25.11 +/- 1.65   0.000% *  0.0154% (0.15   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 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 38.9:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.69 +/- 0.17  99.820% * 99.8154% (1.00  10.0 10.00   2.31  38.91) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   8.42 +/- 0.64   0.133% *  0.0486% (0.49   1.0  1.00   0.02   2.80) =   0.000%
          HA    THR   23 - HB3   ASP-  78  10.56 +/- 0.81   0.036% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  12.74 +/- 1.07   0.012% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  25.37 +/- 0.80   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 = 2.64, residual support = 38.9:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.776% * 99.6931% (1.00  10.0 10.00   2.64  38.91) = 100.000%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.13 +/- 0.62   0.224% *  0.0724% (0.73   1.0  1.00   0.02   3.24) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  14.85 +/- 0.38   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  18.67 +/- 0.68   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  21.82 +/- 1.54   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  20.97 +/- 1.28   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.90 +/- 1.04   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 = 4.28, residual support = 54.9:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.89 +/- 0.18  99.981% * 98.4729% (1.00  10.0 10.00   4.28  54.87) = 100.000%  kept
          HG3   GLU-  25 - HA    GLU-  79  13.34 +/- 0.80   0.012% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  79  17.17 +/- 2.35   0.003% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  16.68 +/- 1.31   0.003% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  26.70 +/- 0.78   0.000% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  22.46 +/- 1.25   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  29.59 +/- 2.31   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 54.9:
    * O T QG    GLU-  79 - HA    GLU-  79   2.51 +/- 0.26  99.999% * 99.7507% (1.00  10.0 10.00   3.48  54.87) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  19.68 +/- 1.22   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  21.00 +/- 0.79   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  22.84 +/- 0.75   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  28.32 +/- 0.96   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  28.00 +/- 1.42   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 54.9:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.89 +/- 0.18  99.633% * 99.4064% (1.00  10.0 10.00   4.28  54.87) = 100.000%  kept
          HB    THR   77 - HB2   GLU-  79   7.70 +/- 0.38   0.328% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  12.70 +/- 0.72   0.016% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  79  13.02 +/- 0.74   0.014% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  17.01 +/- 1.21   0.003% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  16.47 +/- 1.52   0.004% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  21.74 +/- 1.41   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  24.00 +/- 0.88   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  29.78 +/- 2.60   0.000% *  0.0563% (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 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 = 3.44, residual support = 54.9:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.31 +/- 0.11  99.999% * 99.7507% (1.00  10.0 10.00   3.44  54.87) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  18.31 +/- 1.49   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  19.29 +/- 1.06   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  20.84 +/- 1.14   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  26.41 +/- 1.10   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  26.19 +/- 1.58   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 0.01 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 54.9:
    * O T HA    GLU-  79 - QG    GLU-  79   2.51 +/- 0.26  99.892% * 99.4064% (1.00  10.0 10.00   3.48  54.87) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.41 +/- 0.39   0.089% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  12.68 +/- 0.38   0.007% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  12.87 +/- 0.73   0.008% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  16.46 +/- 1.59   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  16.11 +/- 1.71   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  20.59 +/- 1.25   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  22.07 +/- 0.79   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  26.33 +/- 2.54   0.000% *  0.0563% (0.57   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 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 54.9:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.31 +/- 0.11  99.982% * 99.5443% (1.00  10.0 10.00   3.44  54.87) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79  10.58 +/- 1.34   0.015% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  16.44 +/- 1.96   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  15.89 +/- 1.61   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  20.40 +/- 1.06   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  22.07 +/- 0.99   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  24.36 +/- 2.18   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 0.01 A, kept.
 
    Peak 939 (2.38, 2.38, 37.37 ppm):
    1 diagonal assignment:
    *     QG    GLU-  79 - QG    GLU-  79  (1.00)  kept
 
    Peak 940 (4.81, 4.81, 52.21 ppm):
    1 diagonal assignment:
    *     HA    LEU   80 - HA    LEU   80  (1.00)  kept
 
    Peak 942 (0.56, 4.81, 52.21 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.46, residual support = 80.0:
    *   T QD1   LEU   80 - HA    LEU   80   2.92 +/- 0.70  99.789% * 98.6414% (0.65 10.00   5.46  79.95) = 100.000%  kept
        T QD2   LEU   98 - HA    LEU   80  13.36 +/- 1.24   0.027% *  0.9864% (0.65 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU   80  10.17 +/- 0.87   0.150% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  13.15 +/- 0.79   0.026% *  0.1274% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  19.02 +/- 1.83   0.003% *  0.1408% (0.92  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  17.52 +/- 2.07   0.005% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.07 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.96, residual support = 79.6:
    * O   HA    LEU   80 - HB2   LEU   80   2.71 +/- 0.29  91.285% * 94.2371% (1.00  10.0   4.98  79.95) =  99.477%  kept
          HA    THR   23 - HB2   LEU   80   5.03 +/- 1.19   8.138% *  5.5541% (0.80   1.0   1.47   7.56) =   0.523%  kept
          HB    THR   23 - HB2   LEU   80   7.32 +/- 1.23   0.331% *  0.0909% (0.97   1.0   0.02   7.56) =   0.000%
          HA    ASP-  78 - HB2   LEU   80   8.09 +/- 0.83   0.245% *  0.0459% (0.49   1.0   0.02   2.80) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  20.62 +/- 1.14   0.001% *  0.0720% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 5.17, residual support = 80.0:
    * O T QD1   LEU   80 - HB2   LEU   80   2.52 +/- 0.38  99.866% * 97.5236% (0.65  10.0 10.00   5.17  79.95) = 100.000%  kept
        T QG2   VAL   41 - HB2   LEU   80  11.45 +/- 0.74   0.016% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  11.67 +/- 1.11   0.014% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU   80   8.43 +/- 0.79   0.098% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  17.05 +/- 2.05   0.002% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  15.58 +/- 2.31   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 0.04 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.638, support = 5.24, residual support = 75.3:
    *   T HA    LEU   80 - QD1   LEU   80   2.92 +/- 0.70  53.754% * 87.3028% (0.65 10.00   5.46  79.95) =  93.534%  kept
          HA    THR   23 - QD1   LEU   80   3.15 +/- 1.13  42.915% *  7.3397% (0.52  1.00   2.10   7.56) =   6.278%  kept
          HB    THR   23 - QD1   LEU   80   5.10 +/- 1.01   2.034% *  4.5969% (0.62  1.00   1.09   7.56) =   0.186%
          HA    ASP-  78 - QD1   LEU   80   6.91 +/- 0.96   1.034% *  0.0425% (0.31  1.00   0.02   2.80) =   0.001%
          HA    ASP- 105 - QD2   LEU   98   7.97 +/- 1.04   0.218% *  0.0382% (0.28  1.00   0.02   5.12) =   0.000%
        T HA    LEU   80 - QD2   LEU   98  13.36 +/- 1.24   0.015% *  0.5004% (0.37 10.00   0.02   0.02) =   0.000%
          HA    THR   23 - QD2   LEU   98  13.50 +/- 1.18   0.013% *  0.0401% (0.30  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  14.13 +/- 1.19   0.010% *  0.0483% (0.36  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  17.73 +/- 1.27   0.003% *  0.0667% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  16.70 +/- 0.99   0.003% *  0.0244% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 948 (0.56, 0.56, 25.66 ppm):
    2 diagonal assignments:
    *     QD1   LEU   80 - QD1   LEU   80  (0.42)  kept
          QD2   LEU   98 - QD2   LEU   98  (0.24)  kept
 
    Peak 949 (4.10, 4.10, 60.05 ppm):
    1 diagonal assignment:
    *     HA    LYS+  81 - HA    LYS+  81  (1.00)  kept
 
    Peak 950 (1.87, 4.10, 60.05 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.7:
    * O T QB    LYS+  81 - HA    LYS+  81   2.36 +/- 0.05  99.820% * 97.5498% (1.00  10.0 10.00   4.97 101.65) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   7.59 +/- 1.59   0.170% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  19.16 +/- 2.13   0.001% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  14.98 +/- 0.86   0.002% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  17.21 +/- 1.23   0.001% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  13.39 +/- 1.28   0.004% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  15.87 +/- 0.78   0.001% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  19.59 +/- 0.88   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  19.56 +/- 1.83   0.000% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  20.01 +/- 1.72   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  29.83 +/- 1.39   0.000% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  21.91 +/- 0.69   0.000% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  28.39 +/- 0.58   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  23.87 +/- 1.30   0.000% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  29.67 +/- 1.71   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 = 4.18, residual support = 101.7:
    * O T QG    LYS+  81 - HA    LYS+  81   2.40 +/- 0.11  99.995% * 98.1658% (1.00  10.0 10.00   4.18 101.65) = 100.000%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  18.12 +/- 1.51   0.001% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  21.74 +/- 0.97   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  81  13.92 +/- 1.24   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  21.77 +/- 1.59   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 = 101.7:
    *   T QD    LYS+  81 - HA    LYS+  81   3.72 +/- 0.59  99.907% * 99.7569% (1.00 10.00   3.44 101.65) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  12.84 +/- 0.72   0.089% *  0.0989% (0.99  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  24.25 +/- 1.14   0.002% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  23.78 +/- 1.06   0.002% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.7:
    *   T QE    LYS+  81 - HA    LYS+  81   3.43 +/- 0.60  99.972% * 99.9825% (1.00 10.00   3.44 101.65) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  14.59 +/- 1.36   0.028% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.7:
    * O T HA    LYS+  81 - QB    LYS+  81   2.36 +/- 0.05  99.916% * 98.7606% (1.00  10.0 10.00   4.97 101.65) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.89 +/- 0.31   0.073% *  0.0733% (0.07   1.0 10.00   0.02   1.76) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  18.09 +/- 1.74   0.001% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  13.02 +/- 2.03   0.007% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  17.21 +/- 1.23   0.001% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  13.99 +/- 0.53   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  20.87 +/- 0.92   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  25.63 +/- 0.64   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  23.76 +/- 1.80   0.000% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  32.41 +/- 1.59   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  27.58 +/- 0.60   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  28.30 +/- 1.77   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.82 +/- 1.09   0.000% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  35.59 +/- 1.13   0.000% *  0.0111% (0.11   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 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 101.7:
    * O T QG    LYS+  81 - QB    LYS+  81   2.09 +/- 0.02  99.991% * 97.8497% (1.00  10.0 10.00   4.50 101.65) = 100.000%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  18.08 +/- 1.38   0.000% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  20.87 +/- 0.87   0.000% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  15.97 +/- 1.36   0.001% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  18.55 +/- 1.15   0.000% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.47 +/- 1.06   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  11.61 +/- 1.18   0.004% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  13.70 +/- 1.37   0.002% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  21.33 +/- 1.38   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  29.55 +/- 1.60   0.000% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.7:
    * O T QD    LYS+  81 - QB    LYS+  81   2.30 +/- 0.13  99.995% * 99.6151% (1.00  10.0 10.00   3.74 101.65) = 100.000%  kept
          HB    VAL   43 - QB    LYS+  81  13.59 +/- 0.60   0.003% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  15.96 +/- 1.49   0.001% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  23.56 +/- 0.99   0.000% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  17.90 +/- 1.23   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  23.08 +/- 0.91   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  27.00 +/- 1.10   0.000% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  24.23 +/- 1.39   0.000% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.7:
    *     QE    LYS+  81 - QB    LYS+  81   2.32 +/- 0.51  99.625% * 99.8347% (1.00   3.74 101.65) = 100.000%  kept
          HB3   TRP   49 - HB3   PRO   52   8.43 +/- 1.35   0.367% *  0.0107% (0.02   0.02   3.49) =   0.000%
          HB3   TRP   49 - QB    LYS+  81  13.87 +/- 1.38   0.004% *  0.0934% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  15.32 +/- 1.77   0.004% *  0.0612% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 101.7:
    * O T HA    LYS+  81 - QG    LYS+  81   2.40 +/- 0.11  99.858% * 98.8267% (1.00  10.0 10.00   4.18 101.65) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   7.98 +/- 0.44   0.081% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   9.08 +/- 0.53   0.036% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  18.12 +/- 1.51   0.001% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  21.74 +/- 0.97   0.000% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  16.64 +/- 1.80   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  10.51 +/- 0.94   0.017% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  14.12 +/- 0.54   0.003% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  24.43 +/- 3.93   0.000% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  25.65 +/- 0.65   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  20.03 +/- 1.03   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  20.24 +/- 1.57   0.000% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  20.37 +/- 1.12   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  16.77 +/- 0.80   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  19.18 +/- 1.87   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  23.02 +/- 0.75   0.000% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  26.31 +/- 2.45   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  31.88 +/- 1.59   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  20.65 +/- 1.74   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  23.48 +/- 1.65   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  26.51 +/- 0.61   0.000% *  0.0152% (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 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.816, support = 4.82, residual support = 115.1:
    * O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.02  44.365% * 57.8388% (1.00  10.0 10.00   4.50 101.65) =  70.273%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.27 +/- 0.08  27.328% * 26.7248% (0.46  10.0 10.00   5.68 151.95) =  20.001%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.27 +/- 0.12  27.968% * 12.6979% (0.22  10.0 10.00   5.33 136.15) =   9.726%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.98 +/- 1.44   0.156% *  0.0106% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   6.15 +/- 0.71   0.097% *  0.0104% (0.18   1.0  1.00   0.02   0.17) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.24 +/- 1.29   0.017% *  0.0573% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.51 +/- 0.52   0.060% *  0.0114% (0.20   1.0  1.00   0.02  21.98) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.32 +/- 0.87   0.000% *  0.5771% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  18.40 +/- 0.86   0.000% *  0.5582% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.73 +/- 1.22   0.003% *  0.0157% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  17.54 +/- 1.32   0.000% *  0.2763% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  15.97 +/- 1.36   0.000% *  0.0892% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.13 +/- 1.73   0.001% *  0.0144% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  18.08 +/- 1.38   0.000% *  0.1273% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.87 +/- 0.87   0.000% *  0.2769% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.24 +/- 2.22   0.000% *  0.0502% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.88 +/- 0.52   0.000% *  0.1228% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.26 +/- 0.68   0.000% *  0.0217% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.71 +/- 2.13   0.000% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  14.98 +/- 1.33   0.000% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.47 +/- 1.68   0.000% *  0.0420% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  20.17 +/- 1.46   0.000% *  0.0483% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.69 +/- 1.85   0.000% *  0.0092% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.01 +/- 1.42   0.000% *  0.0231% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.10 +/- 1.82   0.000% *  0.0248% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  21.60 +/- 0.68   0.000% *  0.0519% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  18.55 +/- 1.15   0.000% *  0.0196% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.94 +/- 1.32   0.001% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.44 +/- 0.86   0.000% *  0.0048% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.47 +/- 0.93   0.000% *  0.0072% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.31 +/- 1.91   0.000% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.90 +/- 1.19   0.000% *  0.0110% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  25.58 +/- 1.49   0.000% *  0.0274% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.87 +/- 1.16   0.000% *  0.0463% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.09 +/- 1.97   0.000% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.00 +/- 0.52   0.000% *  0.0327% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.92 +/- 1.22   0.000% *  0.0078% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  17.74 +/- 1.20   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  29.55 +/- 1.60   0.000% *  0.0427% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.04 +/- 2.71   0.000% *  0.0240% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  23.63 +/- 2.99   0.000% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.93 +/- 1.11   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  28.01 +/- 1.54   0.000% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.76 +/- 0.93   0.000% *  0.0069% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.72 +/- 1.59   0.000% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 101.7:
    * O T QD    LYS+  81 - QG    LYS+  81   2.05 +/- 0.02  99.976% * 98.8994% (1.00  10.0 10.00   3.71 101.65) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   9.29 +/- 0.96   0.014% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  13.35 +/- 0.62   0.001% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.21 +/- 0.57   0.004% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  13.34 +/- 1.14   0.002% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.44 +/- 1.26   0.001% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  19.47 +/- 1.48   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  14.05 +/- 1.90   0.001% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  22.16 +/- 0.74   0.000% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  23.70 +/- 0.96   0.000% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  21.67 +/- 1.01   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.48 +/- 0.72   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (3.11, 1.56, 25.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 101.7:
    * O   QE    LYS+  81 - QG    LYS+  81   2.27 +/- 0.14  99.994% * 99.9005% (1.00  10.0   3.71 101.65) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  12.54 +/- 1.41   0.005% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  18.74 +/- 1.74   0.000% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  22.03 +/- 1.51   0.000% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  23.34 +/- 0.99   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  30.15 +/- 1.40   0.000% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.7:
    *   T HA    LYS+  81 - QD    LYS+  81   3.72 +/- 0.59  99.953% * 99.7133% (1.00 10.00   3.44 101.65) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  17.07 +/- 1.64   0.019% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  15.80 +/- 0.36   0.023% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  27.34 +/- 0.41   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  21.25 +/- 1.34   0.004% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  33.15 +/- 1.44   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  27.83 +/- 1.04   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 101.7:
    * O T QB    LYS+  81 - QD    LYS+  81   2.30 +/- 0.13  99.877% * 98.9997% (1.00  10.0 10.00   3.74 101.65) = 100.000%  kept
          HB3   GLN   90 - QD    LYS+  81   8.27 +/- 2.05   0.114% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  15.96 +/- 1.49   0.001% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  13.31 +/- 1.66   0.004% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  16.25 +/- 1.00   0.001% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  17.49 +/- 1.83   0.001% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  19.11 +/- 1.53   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  19.96 +/- 0.67   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  17.02 +/- 0.48   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  21.36 +/- 1.58   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  22.79 +/- 0.83   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  29.35 +/- 1.21   0.000% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  22.74 +/- 1.26   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  28.66 +/- 0.33   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  29.15 +/- 1.28   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 = 3.71, residual support = 101.7:
    * O T QG    LYS+  81 - QD    LYS+  81   2.05 +/- 0.02  99.999% * 98.1658% (1.00  10.0 10.00   3.71 101.65) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  19.47 +/- 1.48   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 +/- 0.74   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  14.17 +/- 1.02   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  21.59 +/- 1.44   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (1.77, 1.77, 29.62 ppm):
    1 diagonal assignment:
    *     QD    LYS+  81 - QD    LYS+  81  (1.00)  kept
 
    Peak 968 (3.11, 1.77, 29.62 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 101.7:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.02  99.996% * 99.9825% (1.00  10.0   3.00 101.65) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  12.09 +/- 1.60   0.004% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.7:
    *   T HA    LYS+  81 - QE    LYS+  81   3.43 +/- 0.60  99.967% * 99.7133% (1.00 10.00   3.44 101.65) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  16.62 +/- 1.92   0.012% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  15.65 +/- 1.09   0.017% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  27.17 +/- 1.10   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  20.55 +/- 1.07   0.003% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  32.57 +/- 1.52   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  27.42 +/- 0.92   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.4:
    * O T HB2   SER   82 - HA    SER   82   2.78 +/- 0.06  98.776% * 97.1708% (0.95  10.0 10.00   2.96  33.40) =  99.999%  kept
          HA    GLU-  29 - HA    GLU-  25   6.12 +/- 0.33   0.929% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HA    GLU-  25   9.76 +/- 1.06   0.071% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    SER   82   8.04 +/- 0.15   0.171% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  16.09 +/- 1.82   0.003% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  10.85 +/- 0.41   0.029% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  12.89 +/- 0.46   0.010% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  20.60 +/- 1.19   0.001% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  16.95 +/- 0.83   0.002% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  19.53 +/- 0.64   0.001% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  25.09 +/- 0.48   0.000% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  19.72 +/- 0.81   0.001% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  17.34 +/- 0.55   0.002% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.47 +/- 1.14   0.001% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  21.74 +/- 0.46   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  17.67 +/- 0.83   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  22.77 +/- 0.93   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  27.30 +/- 0.98   0.000% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  25.36 +/- 0.80   0.000% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  28.79 +/- 1.08   0.000% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.4:
    * O T HB3   SER   82 - HA    SER   82   2.93 +/- 0.12  99.673% * 98.8194% (1.00  10.0 10.00   2.00  33.40) =  99.999%  kept
        T HB3   SER   82 - HA    GLU-  25   9.23 +/- 1.07   0.138% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   82  10.54 +/- 0.37   0.048% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   8.98 +/- 0.34   0.126% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  18.96 +/- 0.95   0.001% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  18.46 +/- 0.82   0.002% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  16.62 +/- 0.79   0.003% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  16.90 +/- 0.74   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  20.49 +/- 1.44   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  18.19 +/- 0.79   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  23.87 +/- 0.77   0.000% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  23.24 +/- 0.78   0.000% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  21.22 +/- 2.20   0.001% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  25.79 +/- 0.73   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  23.81 +/- 0.78   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  29.05 +/- 1.35   0.000% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.80 +/- 0.90   0.000% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  25.65 +/- 0.83   0.000% *  0.0099% (0.10   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 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.4:
    * O T HA    SER   82 - HB2   SER   82   2.78 +/- 0.06  99.758% * 97.8439% (0.95  10.0 10.00   2.96  33.40) = 100.000%  kept
        T HA    GLU-  25 - HB2   SER   82   9.76 +/- 1.06   0.072% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    SER   48  16.09 +/- 1.82   0.003% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48   9.59 +/- 1.29   0.136% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  20.60 +/- 1.19   0.001% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  12.31 +/- 0.90   0.016% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  19.53 +/- 0.64   0.001% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.42 +/- 0.56   0.008% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  25.09 +/- 0.48   0.000% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  16.68 +/- 1.00   0.002% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  19.73 +/- 0.86   0.001% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  19.63 +/- 1.35   0.001% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  20.76 +/- 0.82   0.001% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  21.52 +/- 0.94   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  27.97 +/- 0.69   0.000% *  0.0272% (0.26   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 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.4:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.500% * 96.7159% (0.95  10.0 10.00   2.33  33.40) = 100.000%  kept
          HB    THR   39 - HA    VAL   70   4.96 +/- 0.55   0.254% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48   8.61 +/- 0.84   0.009% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   7.22 +/- 1.26   0.224% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   8.71 +/- 0.67   0.008% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  12.74 +/- 1.93   0.001% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  16.99 +/- 1.73   0.000% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.42 +/- 0.27   0.001% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  13.35 +/- 1.87   0.001% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  11.56 +/- 0.70   0.001% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  21.60 +/- 1.27   0.000% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  16.86 +/- 1.05   0.000% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  23.43 +/- 0.80   0.000% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  14.98 +/- 0.91   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  22.96 +/- 1.07   0.000% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  27.02 +/- 0.67   0.000% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  19.65 +/- 0.91   0.000% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  24.56 +/- 0.92   0.000% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  20.52 +/- 1.71   0.000% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  22.51 +/- 0.99   0.000% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  21.59 +/- 0.59   0.000% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  27.67 +/- 1.43   0.000% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  26.21 +/- 1.55   0.000% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  26.10 +/- 0.78   0.000% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  24.76 +/- 0.92   0.000% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  29.01 +/- 0.88   0.000% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  22.03 +/- 0.88   0.000% *  0.0066% (0.07   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 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.4:
    * O T HA    SER   82 - HB3   SER   82   2.93 +/- 0.12  99.859% * 99.1601% (1.00  10.0 10.00   2.00  33.40) =  99.999%  kept
        T HA    GLU-  25 - HB3   SER   82   9.23 +/- 1.07   0.139% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA    CYS   53 - HB3   SER   82  20.71 +/- 0.76   0.001% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  19.48 +/- 0.93   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  27.48 +/- 0.67   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.4:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.996% * 97.6038% (0.95  10.0 10.00   2.33  33.40) = 100.000%  kept
          HA    ALA   88 - HB3   SER   82   9.85 +/- 0.14   0.003% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB3   SER   82  16.99 +/- 1.73   0.000% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  14.19 +/- 1.02   0.000% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  20.77 +/- 1.03   0.000% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  17.16 +/- 1.04   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  23.43 +/- 0.80   0.000% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  20.43 +/- 0.76   0.000% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  20.19 +/- 1.19   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  27.36 +/- 1.07   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   2.81 +/- 0.22  99.982% * 96.5761% (0.90  10.0 10.00   3.97  87.47) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  14.47 +/- 1.23   0.006% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  17.80 +/- 1.42   0.002% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  21.52 +/- 1.19   0.001% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  23.81 +/- 0.73   0.000% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  15.98 +/- 2.21   0.004% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  16.94 +/- 1.36   0.003% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  22.61 +/- 0.97   0.000% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  17.97 +/- 0.58   0.002% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  23.76 +/- 1.25   0.000% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  28.11 +/- 1.39   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  28.88 +/- 1.69   0.000% *  0.0213% (0.20   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 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   2.24 +/- 0.24  98.993% * 99.5865% (0.87  10.0 10.00   4.24  87.47) =  99.999%  kept
          QD2   LEU   80 - HA    VAL   83   5.59 +/- 0.90   0.829% *  0.0919% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    VAL   83   6.73 +/- 0.54   0.159% *  0.0286% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83   9.71 +/- 0.61   0.018% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  16.65 +/- 1.01   0.001% *  0.1108% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  17.66 +/- 1.50   0.001% *  0.0877% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  16.22 +/- 2.05   0.001% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 87.5:
    * O T QG2   VAL   83 - HA    VAL   83   2.82 +/- 0.30  98.882% * 99.8380% (1.00  10.0 10.00   4.48  87.47) =  99.999%  kept
          QD1   ILE   89 - HA    VAL   83   6.50 +/- 0.46   0.945% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HA    VAL   83   8.79 +/- 1.03   0.173% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.04 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   2.81 +/- 0.22  99.995% * 97.8171% (0.90  10.0 10.00   3.97  87.47) = 100.000%  kept
        T HA    GLU- 100 - HB    VAL   83  18.84 +/- 1.64   0.001% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  21.36 +/- 1.40   0.001% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  16.19 +/- 0.87   0.003% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  20.63 +/- 0.91   0.001% *  0.1936% (0.18   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 988 (1.66, 1.66, 32.03 ppm):
    1 diagonal assignment:
    *     HB    VAL   83 - HB    VAL   83  (0.80)  kept
 
    Peak 989 (0.60, 1.66, 32.03 ppm):
    7 chemical-shift based assignments, quality = 0.778, support = 4.29, residual support = 87.5:
    * O T QG1   VAL   83 - HB    VAL   83   2.13 +/- 0.01  90.232% * 99.5865% (0.78  10.0 10.00   4.29  87.47) =  99.990%  kept
          QD2   LEU   80 - HB    VAL   83   3.71 +/- 0.97   9.534% *  0.0919% (0.72   1.0  1.00   0.02   0.02) =   0.010%
          QG2   ILE   89 - HB    VAL   83   6.10 +/- 0.69   0.203% *  0.0286% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83   8.34 +/- 0.66   0.029% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  16.68 +/- 1.45   0.000% *  0.1108% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  15.14 +/- 2.06   0.001% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  16.77 +/- 1.70   0.000% *  0.0877% (0.69   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 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.54, residual support = 87.5:
    * O T QG2   VAL   83 - HB    VAL   83   2.13 +/- 0.01  99.683% * 99.8380% (0.90  10.0 10.00   4.54  87.47) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   6.29 +/- 0.88   0.273% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83   8.22 +/- 1.06   0.045% *  0.0725% (0.65   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 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   2.24 +/- 0.24  99.994% * 99.7372% (0.87  10.0 10.00   4.24  87.47) = 100.000%  kept
          HA    GLU- 100 - QG1   VAL   83  14.68 +/- 1.02   0.002% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG1   VAL   83  14.71 +/- 0.92   0.002% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  18.68 +/- 1.31   0.001% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  16.12 +/- 0.63   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 0.01 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.29, residual support = 87.5:
    * O T HB    VAL   83 - QG1   VAL   83   2.13 +/- 0.01  99.984% * 99.3915% (0.78  10.0 10.00   4.29  87.47) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  10.77 +/- 1.08   0.007% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  13.40 +/- 1.63   0.002% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  14.25 +/- 1.33   0.001% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  12.36 +/- 1.21   0.003% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  16.95 +/- 0.93   0.000% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  18.55 +/- 0.99   0.000% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  18.53 +/- 0.63   0.000% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  15.25 +/- 0.87   0.001% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  20.53 +/- 1.03   0.000% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  22.86 +/- 1.32   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  23.45 +/- 1.59   0.000% *  0.0219% (0.17   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 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   2.08 +/- 0.03  99.404% * 99.0399% (0.87  10.0 10.00   4.83  87.47) =  99.997%  kept
        T QD1   ILE   89 - QG1   VAL   83   5.88 +/- 0.84   0.323% *  0.8882% (0.78   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   31 - QG1   VAL   83   5.95 +/- 0.82   0.273% *  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 = 4.48, residual support = 87.5:
    * O T HA    VAL   83 - QG2   VAL   83   2.82 +/- 0.30  99.972% * 99.7372% (1.00  10.0 10.00   4.48  87.47) = 100.000%  kept
          HB2   CYS   53 - QG2   VAL   83  12.68 +/- 0.89   0.018% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG2   VAL   83  15.07 +/- 1.13   0.005% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  16.84 +/- 1.06   0.003% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  16.64 +/- 0.80   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.54, residual support = 87.5:
    * O T HB    VAL   83 - QG2   VAL   83   2.13 +/- 0.01  99.971% * 99.3915% (0.90  10.0 10.00   4.54  87.47) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83   9.37 +/- 1.11   0.019% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  12.74 +/- 1.12   0.003% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  13.51 +/- 1.42   0.002% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  12.99 +/- 1.06   0.002% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  13.14 +/- 0.73   0.002% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  17.27 +/- 0.68   0.000% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  17.55 +/- 0.71   0.000% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  17.37 +/- 1.15   0.000% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  18.60 +/- 1.07   0.000% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  21.53 +/- 1.02   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  22.13 +/- 1.18   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.08 +/- 0.03  86.412% * 99.3306% (0.87  10.0 10.00   4.83  87.47) =  99.981%  kept
          QD2   LEU   80 - QG2   VAL   83   3.44 +/- 0.83  11.294% *  0.0917% (0.80   1.0  1.00   0.02   0.02) =   0.012%
        T QG2   ILE   89 - QG2   VAL   83   4.25 +/- 0.83   2.153% *  0.2855% (0.25   1.0 10.00   0.02   0.02) =   0.007%
          QD1   LEU   73 - QG2   VAL   83   6.43 +/- 0.59   0.133% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  11.67 +/- 1.81   0.004% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  13.10 +/- 0.81   0.002% *  0.1105% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  13.02 +/- 1.17   0.002% *  0.0875% (0.76   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 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 = 3.05, residual support = 18.8:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  99.747% * 99.1332% (0.93  10.0 10.00   3.05  18.84) = 100.000%  kept
          HB3   LEU   80 - HA    ALA   84   6.28 +/- 0.90   0.237% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   84  11.47 +/- 0.53   0.004% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  13.45 +/- 1.81   0.002% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  12.69 +/- 0.59   0.002% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  12.35 +/- 0.99   0.003% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  14.02 +/- 1.05   0.001% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  15.03 +/- 0.59   0.001% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  18.52 +/- 1.15   0.000% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  18.61 +/- 1.69   0.000% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  15.61 +/- 0.75   0.001% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  19.80 +/- 1.95   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  25.37 +/- 1.70   0.000% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  21.39 +/- 1.20   0.000% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  21.52 +/- 1.15   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  23.55 +/- 1.10   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  25.11 +/- 1.06   0.000% *  0.0180% (0.17   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 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 3.05, residual support = 18.8:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  99.990% * 99.6067% (0.93  10.0 10.00   3.05  18.84) = 100.000%  kept
          HB2   TRP   49 - QB    ALA   84  11.21 +/- 1.22   0.006% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QB    ALA   84  12.39 +/- 1.07   0.003% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  17.70 +/- 0.71   0.000% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  18.14 +/- 1.06   0.000% *  0.1012% (0.95   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 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.1:
    * O T QB    SER   85 - HA    SER   85   2.36 +/- 0.09  50.979% * 98.0072% (1.00  10.0 10.00   2.28  18.15) =  99.973%  kept
          HA    ALA   88 - HA    SER   85   2.37 +/- 0.12  49.009% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.027%
        T QB    SER   48 - HA    SER   85  13.91 +/- 2.29   0.002% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85  10.09 +/- 0.64   0.009% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  17.38 +/- 1.59   0.000% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  20.77 +/- 1.13   0.000% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  21.20 +/- 0.99   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  16.18 +/- 2.04   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  21.41 +/- 0.58   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  28.19 +/- 0.85   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  27.60 +/- 1.02   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  29.28 +/- 0.75   0.000% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  26.25 +/- 0.98   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   2.36 +/- 0.09  95.149% * 96.1605% (1.00  10.0 10.00   2.28  18.15) =  99.998%  kept
          HA    ASP-  86 - QB    SER   85   4.16 +/- 0.18   3.574% *  0.0361% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - QB    SER   48   6.67 +/- 1.75   1.013% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   8.28 +/- 0.96   0.075% *  0.1141% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   85   8.29 +/- 0.77   0.059% *  0.0962% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   8.40 +/- 1.36   0.086% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  13.91 +/- 2.29   0.004% *  0.2345% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85  10.41 +/- 0.34   0.013% *  0.0661% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  16.81 +/- 1.74   0.001% *  0.9426% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  13.55 +/- 0.97   0.003% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  13.84 +/- 0.56   0.002% *  0.0953% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.99 +/- 1.35   0.000% *  0.4681% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  13.13 +/- 0.45   0.003% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  23.59 +/- 0.58   0.000% *  0.5832% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.23 +/- 0.76   0.003% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.27 +/- 1.56   0.008% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  19.18 +/- 1.33   0.000% *  0.0900% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  21.20 +/- 0.99   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  22.88 +/- 0.99   0.000% *  0.2298% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.37 +/- 1.34   0.000% *  0.0722% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.91 +/- 0.85   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  16.95 +/- 1.97   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  26.22 +/- 0.69   0.000% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  19.80 +/- 1.46   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  20.26 +/- 1.31   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  33.66 +/- 2.39   0.000% *  0.0943% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  27.89 +/- 1.22   0.000% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  21.56 +/- 0.96   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  24.13 +/- 1.83   0.000% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  32.29 +/- 2.01   0.000% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  25.61 +/- 1.17   0.000% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  31.44 +/- 2.23   0.000% *  0.0230% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  29.13 +/- 2.44   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  25.42 +/- 1.06   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  32.12 +/- 2.40   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  30.25 +/- 1.68   0.000% *  0.0061% (0.06   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 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   3.03 +/- 0.04  99.976% * 99.6568% (1.00  10.0 10.00   3.46  41.61) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  13.20 +/- 0.80   0.016% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  18.95 +/- 1.10   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  19.65 +/- 1.06   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  16.35 +/- 0.41   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  26.01 +/- 1.11   0.000% *  0.0920% (0.92   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 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 +/- 0.10  99.961% * 98.9853% (1.00  10.0 10.00   2.00  41.61) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  86  10.75 +/- 0.61   0.023% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    ASP-  86  11.82 +/- 0.63   0.013% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  17.28 +/- 1.09   0.001% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  26.12 +/- 1.03   0.000% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  17.29 +/- 0.89   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  22.84 +/- 1.70   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  23.69 +/- 1.01   0.000% *  0.0173% (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 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   3.03 +/- 0.04  97.595% * 99.5343% (1.00  10.0 10.00   3.46  41.61) =  99.999%  kept
          HA    SER   85 - HB2   ASP-  86   5.68 +/- 0.14   2.286% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - HB2   ASP-  86  10.39 +/- 0.75   0.067% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  11.64 +/- 0.56   0.032% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  13.45 +/- 1.97   0.017% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  16.92 +/- 1.10   0.004% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  26.84 +/- 1.37   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  31.67 +/- 2.21   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  33.10 +/- 2.72   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.989% * 99.6638% (1.00  10.0 10.00   2.83  41.61) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  86   9.00 +/- 0.70   0.006% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   ASP-  86   9.49 +/- 0.58   0.004% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  15.38 +/- 0.95   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  15.50 +/- 0.77   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  21.34 +/- 1.55   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  23.56 +/- 1.02   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  21.69 +/- 1.00   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 0.00 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 +/- 0.10  99.289% * 99.5343% (1.00  10.0 10.00   2.00  41.61) = 100.000%  kept
          HA    SER   85 - HB3   ASP-  86   6.11 +/- 0.40   0.672% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.000%
          HB    THR   77 - HB3   ASP-  86  11.39 +/- 1.03   0.020% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  12.71 +/- 0.73   0.008% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  13.75 +/- 2.57   0.008% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  17.25 +/- 1.68   0.002% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  27.45 +/- 1.31   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  32.12 +/- 2.31   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  33.43 +/- 2.91   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  41.61) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  11.17 +/- 0.73   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  17.13 +/- 1.09   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  17.67 +/- 1.03   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  15.37 +/- 0.80   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  24.32 +/- 1.11   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 = 70.3:
    * O T HB2   TRP   87 - HA    TRP   87   2.26 +/- 0.02 100.000% * 99.9010% (1.00  10.0 10.00   4.31  70.26) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  18.28 +/- 1.15   0.000% *  0.0990% (0.99   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 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.3:
    * O T HB3   TRP   87 - HA    TRP   87   2.96 +/- 0.02  99.997% * 99.8563% (1.00  10.0 10.00   4.31  70.26) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  17.49 +/- 1.14   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  23.23 +/- 1.26   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.3:
    * O T HA    TRP   87 - HB2   TRP   87   2.26 +/- 0.02  99.997% * 99.8808% (1.00  10.0 10.00   4.31  70.26) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  13.17 +/- 1.00   0.003% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  19.07 +/- 1.18   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  26.97 +/- 1.17   0.000% *  0.0135% (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 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.3:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.8563% (1.00  10.0 10.00   4.00  70.26) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  17.49 +/- 1.11   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  21.24 +/- 1.17   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.3:
    * O T HA    TRP   87 - HB3   TRP   87   2.96 +/- 0.02  99.991% * 99.3033% (1.00  10.0 10.00   4.31  70.26) = 100.000%  kept
        T HA    PHE   59 - HB3   TRP   87  18.73 +/- 1.08   0.002% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   TRP   87  14.57 +/- 0.91   0.008% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  26.78 +/- 1.19   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.3:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  70.26) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  15.54 +/- 1.11   0.000% *  0.0990% (0.99   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 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   2.13 +/- 0.01  99.936% * 99.6403% (1.00  10.0 10.00   2.21  11.52) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   7.61 +/- 0.78   0.057% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  10.95 +/- 0.61   0.006% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  17.86 +/- 2.02   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  18.08 +/- 0.51   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  23.31 +/- 1.01   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  27.52 +/- 1.04   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  21.62 +/- 1.29   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   2.13 +/- 0.01  99.585% * 97.3461% (1.00  10.0 10.00   2.21  11.52) = 100.000%  kept
          QB    SER   85 - QB    ALA   88   5.33 +/- 0.13   0.405% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  10.67 +/- 0.11   0.006% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  14.21 +/- 1.70   0.001% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QB    ALA   88  14.80 +/- 1.73   0.001% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  18.84 +/- 0.49   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  18.37 +/- 0.53   0.000% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  18.93 +/- 0.59   0.000% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  21.48 +/- 0.33   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  23.12 +/- 0.79   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  24.51 +/- 0.76   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 = 215.7:
    * O T HB    ILE   89 - HA    ILE   89   2.95 +/- 0.06  99.840% * 99.6008% (0.80  10.0 10.00   5.44 215.68) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89   9.87 +/- 0.66   0.077% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89  10.51 +/- 0.93   0.058% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  12.41 +/- 1.24   0.022% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  19.65 +/- 0.72   0.001% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  19.80 +/- 0.79   0.001% *  0.0192% (0.15   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 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 215.7:
    * O T QG2   ILE   89 - HA    ILE   89   2.60 +/- 0.29  99.912% * 99.9320% (1.00  10.0 10.00   6.28 215.68) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   8.76 +/- 0.70   0.086% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  16.14 +/- 1.14   0.002% *  0.0154% (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 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.83, residual support = 215.7:
    * O T HG12  ILE   89 - HA    ILE   89   2.46 +/- 0.44  99.980% * 99.3078% (1.00  10.0 10.00   5.83 215.68) = 100.000%  kept
          HG3   LYS+ 111 - HA    ILE   89  14.15 +/- 1.41   0.006% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   89  12.81 +/- 1.27   0.010% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  21.84 +/- 0.72   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  17.46 +/- 2.48   0.002% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  20.37 +/- 0.76   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  19.92 +/- 1.17   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  20.93 +/- 0.92   0.000% *  0.0248% (0.25   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 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.7:
    * O T HA    ILE   89 - HB    ILE   89   2.95 +/- 0.06  99.721% * 99.2091% (0.80  10.0 10.00   5.44 215.68) = 100.000%  kept
        T HA    ILE   89 - HB    VAL   43   9.87 +/- 0.66   0.077% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    ILE   89   9.49 +/- 0.34   0.094% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  12.53 +/- 0.70   0.018% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  15.67 +/- 0.82   0.005% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.25 +/- 0.69   0.021% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  12.90 +/- 0.73   0.015% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  14.82 +/- 1.55   0.008% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  11.64 +/- 0.75   0.030% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  15.95 +/- 0.76   0.004% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  20.59 +/- 0.77   0.001% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  23.67 +/- 0.87   0.000% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  17.80 +/- 0.57   0.002% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.43 +/- 1.68   0.001% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  26.56 +/- 1.32   0.000% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.87 +/- 1.34   0.002% *  0.0043% (0.03   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 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.75, residual support = 215.7:
    * O T QG2   ILE   89 - HB    ILE   89   2.12 +/- 0.01  99.612% * 99.5317% (0.80  10.0 10.00   5.75 215.68) = 100.000%  kept
        T QG2   ILE   89 - HB    VAL   43   6.97 +/- 0.61   0.093% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    ILE   89   6.51 +/- 0.70   0.184% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   7.10 +/- 0.80   0.097% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  10.20 +/- 1.13   0.013% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  15.78 +/- 1.23   0.001% *  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 = 5.19, residual support = 215.7:
    * O T HG12  ILE   89 - HB    ILE   89   2.69 +/- 0.16  99.631% * 98.9436% (0.80  10.0 10.00   5.19 215.68) = 100.000%  kept
        T HG12  ILE   89 - HB    VAL   43   8.04 +/- 0.69   0.177% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  11.36 +/- 1.12   0.022% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.26 +/- 0.52   0.069% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.63 +/- 0.75   0.007% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  10.29 +/- 1.21   0.048% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  10.91 +/- 0.87   0.028% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  16.30 +/- 1.32   0.002% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  20.97 +/- 1.19   0.001% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  18.49 +/- 0.95   0.001% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  13.17 +/- 1.13   0.009% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  18.19 +/- 1.25   0.001% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  18.93 +/- 2.25   0.001% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  17.76 +/- 1.45   0.001% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  18.96 +/- 0.93   0.001% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  19.10 +/- 1.81   0.001% *  0.0067% (0.05   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 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 215.7:
    * O T HA    ILE   89 - QG2   ILE   89   2.60 +/- 0.29  99.865% * 99.5272% (1.00  10.0 10.00   6.28 215.68) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   8.91 +/- 0.51   0.089% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  12.37 +/- 0.77   0.010% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  10.70 +/- 1.25   0.031% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  17.28 +/- 0.49   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  19.97 +/- 0.66   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  15.08 +/- 0.56   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  21.71 +/- 1.11   0.000% *  0.0941% (0.95   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 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.75, residual support = 215.7:
    * O T HB    ILE   89 - QG2   ILE   89   2.12 +/- 0.01  99.822% * 99.0138% (0.80  10.0 10.00   5.75 215.68) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   6.97 +/- 0.61   0.094% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   7.61 +/- 0.93   0.069% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89   9.68 +/- 1.04   0.014% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  16.14 +/- 0.71   0.001% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  16.36 +/- 0.67   0.000% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 6.16, residual support = 215.7:
    * O T HG12  ILE   89 - QG2   ILE   89   3.11 +/- 0.13  99.524% * 99.3078% (1.00  10.0 10.00   6.16 215.68) = 100.000%  kept
          HG2   LYS+  74 - QG2   ILE   89   8.27 +/- 1.12   0.406% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QG2   ILE   89  12.70 +/- 1.35   0.028% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  17.92 +/- 0.66   0.003% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  14.53 +/- 2.08   0.016% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  15.29 +/- 0.76   0.008% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  15.02 +/- 1.07   0.009% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  15.19 +/- 0.87   0.008% *  0.0248% (0.25   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 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.83, residual support = 215.7:
    * O T HA    ILE   89 - HG12  ILE   89   2.46 +/- 0.44  99.891% * 98.5945% (1.00  10.0 10.00   5.83 215.68) = 100.000%  kept
        T HB    THR   39 - HG3   LYS+  99   9.32 +/- 1.26   0.048% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG12  ILE   89  11.29 +/- 1.27   0.036% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   LYS+  99  11.90 +/- 1.51   0.012% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  13.97 +/- 1.23   0.004% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  21.84 +/- 0.72   0.000% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  15.75 +/- 1.15   0.002% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  15.01 +/- 2.18   0.003% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  20.36 +/- 0.37   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  23.64 +/- 0.68   0.000% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  20.20 +/- 2.70   0.001% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  18.45 +/- 0.87   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  15.54 +/- 1.18   0.002% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  26.89 +/- 1.28   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  24.06 +/- 1.07   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  30.70 +/- 0.98   0.000% *  0.0079% (0.08   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 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.645, support = 5.29, residual support = 205.7:
    * O T HB    ILE   89 - HG12  ILE   89   2.69 +/- 0.16  28.344% * 78.0851% (0.80  10.0 10.00   5.19 215.68) =  77.363%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.85 +/- 0.28  24.103% * 14.8429% (0.15  10.0  1.00   5.00 171.80) =  12.505%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.48 +/- 0.20  47.497% *  6.1021% (0.06  10.0 10.00   6.44 171.80) =  10.131%  kept
        T HB    VAL   43 - HG12  ILE   89   8.04 +/- 0.69   0.043% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.63 +/- 0.75   0.002% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  12.25 +/- 1.48   0.004% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  11.24 +/- 0.89   0.006% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  17.87 +/- 0.94   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  20.97 +/- 1.19   0.000% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.38 +/- 1.21   0.000% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.72 +/- 0.93   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.63 +/- 0.83   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 = 6.16, residual support = 215.7:
    * O T QG2   ILE   89 - HG12  ILE   89   3.11 +/- 0.13  60.242% * 99.5013% (1.00  10.0 10.00   6.16 215.68) =  99.996%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.51 +/- 0.77  39.392% *  0.0062% (0.06   1.0  1.00   0.02  16.92) =   0.004%
          QG1   VAL   83 - HG12  ILE   89   7.74 +/- 1.13   0.355% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HG3   LYS+  99  17.92 +/- 0.66   0.002% *  0.4035% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  14.63 +/- 1.10   0.007% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  16.64 +/- 0.78   0.003% *  0.0212% (0.21   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 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 = 3.97, residual support = 90.0:
    * O T HB2   GLN   90 - HA    GLN   90   2.61 +/- 0.24  99.971% * 98.5005% (0.78  10.0 10.00   3.97  90.02) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90  10.95 +/- 1.28   0.028% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  22.14 +/- 1.06   0.000% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  21.85 +/- 1.19   0.000% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  25.49 +/- 0.83   0.000% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  29.74 +/- 0.73   0.000% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 90.0:
    * O T HB3   GLN   90 - HA    GLN   90   2.88 +/- 0.17  98.974% * 99.0333% (0.82  10.0 10.00   3.97  90.02) =  99.999%  kept
          QB    LYS+  81 - HA    GLN   90   7.22 +/- 1.20   0.724% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    GLN   90   7.81 +/- 0.21   0.262% *  0.0577% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  12.10 +/- 0.70   0.021% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  14.99 +/- 1.73   0.007% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  15.41 +/- 1.45   0.006% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  18.39 +/- 1.19   0.002% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  18.60 +/- 1.62   0.002% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  18.90 +/- 0.86   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  21.82 +/- 0.98   0.001% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  20.49 +/- 1.68   0.001% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  28.99 +/- 0.74   0.000% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  28.55 +/- 2.12   0.000% *  0.0624% (0.52   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 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 90.0:
    * O T QG    GLN   90 - HA    GLN   90   2.50 +/- 0.45  99.905% * 99.3855% (0.88  10.0 10.00   3.31  90.02) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   9.18 +/- 0.69   0.082% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  12.79 +/- 1.19   0.011% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  18.66 +/- 1.31   0.001% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  18.77 +/- 0.97   0.001% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  23.49 +/- 1.58   0.000% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  25.25 +/- 2.23   0.000% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  21.05 +/- 1.24   0.000% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  33.56 +/- 2.20   0.000% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.97, residual support = 90.0:
    * O T HA    GLN   90 - HB2   GLN   90   2.61 +/- 0.24  99.956% * 98.8405% (0.78  10.0 10.00   3.97  90.02) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79  10.95 +/- 1.28   0.028% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  13.77 +/- 1.97   0.008% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  18.11 +/- 1.16   0.001% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  17.00 +/- 0.73   0.002% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  15.49 +/- 1.18   0.003% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  18.65 +/- 0.60   0.001% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.11 +/- 2.40   0.001% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.65 +/- 2.08   0.000% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.30 +/- 0.98   0.000% *  0.0113% (0.09   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 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 90.0:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.928% * 96.7995% (0.67  10.0 10.00   3.99  90.02) = 100.000%  kept
          QB    LYS+  81 - HB2   GLN   90   7.52 +/- 1.37   0.031% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   GLU-  79   6.97 +/- 0.36   0.027% *  0.0752% (0.52   1.0  1.00   0.02   1.50) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.27 +/- 0.74   0.011% *  0.0564% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  12.98 +/- 1.64   0.001% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  13.13 +/- 0.85   0.001% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  13.34 +/- 0.93   0.001% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  18.06 +/- 2.92   0.000% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  16.50 +/- 1.66   0.000% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  16.80 +/- 1.35   0.000% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  16.42 +/- 2.02   0.000% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.31 +/- 0.92   0.000% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  17.05 +/- 1.03   0.000% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  19.60 +/- 1.58   0.000% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  19.67 +/- 1.61   0.000% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  30.90 +/- 0.63   0.000% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  20.35 +/- 0.91   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  20.53 +/- 1.22   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  23.71 +/- 1.02   0.000% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  22.46 +/- 1.55   0.000% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  23.18 +/- 0.77   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.40 +/- 1.50   0.000% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  21.80 +/- 1.09   0.000% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  27.26 +/- 0.83   0.000% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  27.33 +/- 1.19   0.000% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  30.78 +/- 1.98   0.000% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.63, residual support = 90.0:
    * O T QG    GLN   90 - HB2   GLN   90   2.37 +/- 0.11  99.935% * 96.7466% (0.72  10.0 10.00   3.63  90.02) = 100.000%  kept
        T QG    GLN   90 - HB3   GLU-  79  10.57 +/- 1.99   0.023% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  13.95 +/- 1.11   0.003% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   9.50 +/- 0.76   0.028% *  0.0166% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  12.57 +/- 0.77   0.005% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  15.16 +/- 1.08   0.002% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  16.20 +/- 0.81   0.001% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  19.36 +/- 1.85   0.000% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  19.13 +/- 1.20   0.000% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  23.00 +/- 1.21   0.000% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  27.47 +/- 2.11   0.000% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  21.06 +/- 1.17   0.000% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  20.50 +/- 0.87   0.000% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  17.56 +/- 2.29   0.001% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  25.64 +/- 1.52   0.000% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  35.72 +/- 2.13   0.000% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  22.46 +/- 0.91   0.000% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  27.42 +/- 2.18   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 0.04 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 90.0:
    * O T HA    GLN   90 - HB3   GLN   90   2.88 +/- 0.17  99.964% * 99.7400% (0.82  10.0 10.00   3.97  90.02) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  13.36 +/- 2.03   0.025% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  18.28 +/- 0.97   0.002% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  14.64 +/- 1.37   0.008% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  17.91 +/- 0.80   0.002% *  0.0495% (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 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 90.0:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.999% * 98.2851% (0.67  10.0 10.00   3.99  90.02) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  12.98 +/- 1.64   0.001% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  23.68 +/- 1.50   0.000% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  23.31 +/- 1.62   0.000% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  26.64 +/- 1.08   0.000% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  30.87 +/- 0.88   0.000% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.63, residual support = 90.0:
    * O T QG    GLN   90 - HB3   GLN   90   2.42 +/- 0.12  99.956% * 99.3855% (0.75  10.0 10.00   3.63  90.02) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   9.51 +/- 1.14   0.040% *  0.0171% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  14.77 +/- 1.14   0.002% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  20.67 +/- 1.22   0.000% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  19.94 +/- 0.92   0.000% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  25.33 +/- 1.68   0.000% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  27.25 +/- 2.24   0.000% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  22.60 +/- 1.68   0.000% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  35.47 +/- 2.20   0.000% *  0.0761% (0.57   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 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 90.0:
    * O T HA    GLN   90 - QG    GLN   90   2.50 +/- 0.45  99.957% * 99.7400% (0.88  10.0 10.00   3.31  90.02) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  12.70 +/- 2.02   0.026% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  16.65 +/- 1.23   0.002% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  13.57 +/- 1.42   0.012% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  15.70 +/- 0.65   0.003% *  0.0495% (0.44   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 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.63, residual support = 90.0:
    * O T HB2   GLN   90 - QG    GLN   90   2.37 +/- 0.11  99.976% * 97.8434% (0.72  10.0 10.00   3.63  90.02) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  10.57 +/- 1.99   0.023% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  19.85 +/- 1.62   0.000% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  20.24 +/- 1.15   0.000% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  23.13 +/- 0.93   0.000% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  27.05 +/- 0.81   0.000% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.63, residual support = 90.0:
    * O T HB3   GLN   90 - QG    GLN   90   2.42 +/- 0.12  98.446% * 98.5216% (0.75  10.0 10.00   3.63  90.02) =  99.998%  kept
          QB    LYS+  81 - QG    GLN   90   6.06 +/- 1.57   1.398% *  0.1058% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   MET   92 - QG    GLN   90   8.21 +/- 1.11   0.134% *  0.5741% (0.44   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG    GLN   90  11.13 +/- 1.36   0.015% *  0.1089% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  14.97 +/- 1.73   0.002% *  0.1116% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  15.50 +/- 1.28   0.002% *  0.0715% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  16.54 +/- 1.73   0.001% *  0.0668% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  17.09 +/- 1.31   0.001% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  17.47 +/- 1.09   0.001% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  20.03 +/- 1.03   0.000% *  0.0901% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  19.97 +/- 1.39   0.000% *  0.0364% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  26.38 +/- 0.86   0.000% *  0.0985% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  26.70 +/- 1.74   0.000% *  0.0621% (0.47   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 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 = 2.25, residual support = 12.9:
    * O T QB    ALA   91 - HA    ALA   91   2.14 +/- 0.01  99.983% * 98.3255% (1.00  10.0 10.00   2.25  12.88) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91   9.88 +/- 1.57   0.015% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  13.37 +/- 1.43   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  16.86 +/- 0.98   0.000% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  22.52 +/- 0.91   0.000% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.48 +/- 0.46   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  22.81 +/- 1.10   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.88 +/- 1.00   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.52 +/- 0.78   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  31.30 +/- 1.01   0.000% *  0.0882% (0.90   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 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.25, residual support = 12.9:
    * O T HA    ALA   91 - QB    ALA   91   2.14 +/- 0.01  98.930% * 99.0540% (1.00  10.0 10.00   2.25  12.88) = 100.000%  kept
          HA    ALA  110 - QB    ALA   91   8.19 +/- 2.33   0.833% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   91  10.46 +/- 2.10   0.022% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   6.82 +/- 0.98   0.176% *  0.0096% (0.10   1.0  1.00   0.02   1.88) =   0.000%
          HA    PRO   52 - QB    ALA   91   8.90 +/- 1.57   0.031% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   39  10.89 +/- 0.52   0.006% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  16.86 +/- 0.98   0.000% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  16.74 +/- 0.46   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  22.52 +/- 0.91   0.000% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  17.00 +/- 0.93   0.000% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  20.65 +/- 1.94   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.76 +/- 0.68   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.70 +/- 1.30   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.48 +/- 1.05   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  21.15 +/- 1.69   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 = 132.4:
    * O T HA    PRO   93 - HD2   PRO   93   3.98 +/- 0.00 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.44) = 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 = 132.4:
    * O T HB2   PRO   93 - HD2   PRO   93   3.94 +/- 0.09  84.824% * 99.2584% (0.73  10.0 10.00   5.40 132.44) =  99.993%  kept
          HG3   PRO   52 - HD2   PRO   93   6.83 +/- 2.36  12.424% *  0.0306% (0.22   1.0  1.00   0.02   0.53) =   0.005%
          HB    VAL  108 - HD2   PRO   93   7.60 +/- 0.90   2.282% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HD2   PRO   93  10.82 +/- 1.64   0.329% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  13.04 +/- 1.71   0.098% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  14.72 +/- 1.10   0.036% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  23.12 +/- 1.45   0.002% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  21.88 +/- 0.71   0.003% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.92 +/- 0.46   0.001% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  28.85 +/- 1.68   0.001% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  38.54 +/- 2.09   0.000% *  0.0408% (0.30   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 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HG2   PRO   93 - HD2   PRO   93   2.50 +/- 0.27  99.033% * 99.4388% (0.73  10.0 10.00   4.00 132.44) = 100.000%  kept
          HB3   PRO   52 - HD2   PRO   93   6.16 +/- 1.65   0.962% *  0.0307% (0.22   1.0  1.00   0.02   0.53) =   0.000%
          QB    LYS+  66 - HD2   PRO   93  17.66 +/- 1.52   0.001% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  18.37 +/- 1.18   0.001% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.60 +/- 1.06   0.001% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.36 +/- 0.79   0.001% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.32 +/- 0.97   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  20.96 +/- 0.78   0.000% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  20.03 +/- 2.01   0.000% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  23.14 +/- 1.13   0.000% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 132.4:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.844% * 98.6805% (0.65  10.0 10.00   4.00 132.44) = 100.000%  kept
          QB    PHE   55 - HD2   PRO   93   6.88 +/- 1.86   0.111% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   93   7.25 +/- 1.46   0.041% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  10.68 +/- 1.26   0.003% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  12.70 +/- 1.51   0.001% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  23.35 +/- 1.53   0.000% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 132.4:
    * O T HA    PRO   93 - HD3   PRO   93   3.79 +/- 0.00  99.996% * 99.8223% (0.90  10.0 10.00   5.31 132.44) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  20.67 +/- 1.15   0.004% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.891, support = 5.36, residual support = 131.3:
    * O T HB2   PRO   93 - HD3   PRO   93   3.86 +/- 0.29  69.124% * 95.3706% (0.90  10.0 10.00   5.40 132.44) =  99.115%  kept
          HG3   PRO   52 - HD3   PRO   93   5.50 +/- 2.26  29.548% *  1.9776% (0.28   1.0  1.00   1.34   0.53) =   0.879%  kept
        T HB2   ARG+  54 - HD3   PRO   93   9.29 +/- 1.59   0.480% *  0.8273% (0.78   1.0 10.00   0.02   0.02) =   0.006%
          HB    VAL  108 - HD3   PRO   93   9.14 +/- 0.93   0.453% *  0.0764% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  12.31 +/- 1.44   0.081% *  0.0294% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  11.64 +/- 1.93   0.201% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  14.81 +/- 1.54   0.029% *  0.0637% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  15.04 +/- 1.19   0.027% *  0.0540% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  19.99 +/- 1.45   0.004% *  0.1697% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  23.15 +/- 1.53   0.002% *  0.2652% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  17.68 +/- 1.21   0.008% *  0.0472% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  20.96 +/- 2.24   0.004% *  0.0698% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  23.82 +/- 1.70   0.001% *  0.1472% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  28.45 +/- 1.65   0.000% *  0.3579% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  16.59 +/- 1.09   0.012% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  22.03 +/- 0.80   0.002% *  0.0540% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  17.43 +/- 1.25   0.009% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  16.39 +/- 1.15   0.012% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  38.23 +/- 2.15   0.000% *  0.3921% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  22.19 +/- 1.57   0.002% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.79 +/- 0.53   0.001% *  0.0464% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  26.68 +/- 1.29   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 0.22 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.892, support = 3.97, residual support = 131.3:
    * O T HG2   PRO   93 - HD3   PRO   93   2.70 +/- 0.29  82.050% * 89.4075% (0.90  10.0 10.00   4.00 132.44) =  99.167%  kept
        T HB3   PRO   52 - HD3   PRO   93   4.93 +/- 1.46   6.260% *  9.8224% (0.28   1.0 10.00   0.71   0.53) =   0.831%  kept
          QB    LYS+  66 - HD3   PRO   68   4.74 +/- 1.11  10.820% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HD3   PRO   68   6.86 +/- 0.71   0.362% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68   9.86 +/- 2.78   0.447% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  11.24 +/- 1.08   0.019% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.26 +/- 1.60   0.030% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  17.65 +/- 1.47   0.001% *  0.0802% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  18.00 +/- 1.11   0.001% *  0.0747% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  21.61 +/- 1.77   0.000% *  0.1591% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.73 +/- 1.02   0.001% *  0.0506% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  20.05 +/- 0.78   0.001% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  14.98 +/- 0.79   0.003% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.38 +/- 0.91   0.000% *  0.0825% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.22 +/- 0.77   0.000% *  0.0716% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  17.67 +/- 2.32   0.002% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  20.34 +/- 2.09   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.62 +/- 1.91   0.001% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  22.60 +/- 1.18   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  25.86 +/- 1.33   0.000% *  0.0491% (0.05   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 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.999% * 99.5607% (0.65  10.0 10.00   4.00 132.44) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93  12.07 +/- 1.35   0.001% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  19.56 +/- 0.85   0.000% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  23.35 +/- 1.53   0.000% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  21.83 +/- 0.93   0.000% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  25.36 +/- 0.99   0.000% *  0.0219% (0.14   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 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 = 132.4:
    * O T HB2   PRO   93 - HA    PRO   93   2.54 +/- 0.21  99.414% * 99.2584% (1.00  10.0 10.00   5.98 132.44) = 100.000%  kept
          HG3   PRO   52 - HA    PRO   93   7.87 +/- 2.00   0.404% *  0.0306% (0.31   1.0  1.00   0.02   0.53) =   0.000%
          HB    VAL  108 - HA    PRO   93   8.08 +/- 1.13   0.135% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  10.26 +/- 1.18   0.027% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  11.78 +/- 0.87   0.012% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  13.47 +/- 1.05   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  19.54 +/- 1.49   0.001% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  18.39 +/- 0.82   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.51 +/- 0.63   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  25.18 +/- 1.61   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  35.02 +/- 2.05   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HG2   PRO   93 - HA    PRO   93   3.94 +/- 0.04  97.478% * 99.4388% (1.00  10.0 10.00   5.31 132.44) =  99.999%  kept
          HB3   PRO   52 - HA    PRO   93   7.69 +/- 0.97   2.385% *  0.0307% (0.31   1.0  1.00   0.02   0.53) =   0.001%
          QB    LYS+  66 - HA    PRO   93  15.56 +/- 1.50   0.032% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  15.96 +/- 0.93   0.024% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  15.90 +/- 1.14   0.025% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  16.56 +/- 0.78   0.019% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  17.63 +/- 0.70   0.013% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  18.93 +/- 0.78   0.008% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  18.73 +/- 1.80   0.010% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  19.60 +/- 0.92   0.007% *  0.0276% (0.28   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 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HD2   PRO   93 - HA    PRO   93   3.98 +/- 0.00  99.441% * 99.7770% (0.73  10.0 10.00   5.31 132.44) =  99.999%  kept
          HA    THR   77 - HA    PRO   93  10.00 +/- 1.15   0.536% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HA    PRO   93  16.23 +/- 0.73   0.023% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.37 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.4:
    * O T HD3   PRO   93 - HA    PRO   93   3.79 +/- 0.00  81.360% * 98.6805% (0.90  10.0 10.00   5.31 132.44) =  99.976%  kept
          HB3   CYS   53 - HA    PRO   93   5.63 +/- 1.25  16.220% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.022%
          QB    PHE   55 - HA    PRO   93   7.44 +/- 0.85   1.607% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PRO   93   8.84 +/- 1.03   0.726% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PRO   93  12.15 +/- 1.02   0.084% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  20.67 +/- 1.15   0.003% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.4:
    * O T HG2   PRO   93 - HB2   PRO   93   2.60 +/- 0.30  99.094% * 99.0260% (1.00  10.0 10.00   5.40 132.44) =  99.999%  kept
        T HB3   PRO   52 - HB2   PRO   93   7.71 +/- 1.27   0.340% *  0.3056% (0.31   1.0 10.00   0.02   0.53) =   0.001%
          HB2   LEU   71 - HG3   GLN   30   7.46 +/- 1.33   0.460% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30  10.05 +/- 1.44   0.072% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  14.65 +/- 1.58   0.004% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  15.28 +/- 1.22   0.003% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  12.91 +/- 1.24   0.010% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.27 +/- 1.23   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  17.10 +/- 0.80   0.002% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  18.08 +/- 0.88   0.001% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.05 +/- 1.20   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  17.35 +/- 2.16   0.002% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  22.78 +/- 1.66   0.000% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  19.71 +/- 1.46   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  16.70 +/- 1.33   0.002% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  15.94 +/- 1.81   0.003% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  16.79 +/- 1.01   0.002% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  17.25 +/- 1.00   0.002% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  24.15 +/- 2.68   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  26.07 +/- 1.43   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 = 132.4:
    * O T HD2   PRO   93 - HB2   PRO   93   3.94 +/- 0.09  96.496% * 99.6822% (0.73  10.0 10.00   5.40 132.44) = 100.000%  kept
          HB2   TRP   27 - HG3   GLN   30   7.08 +/- 0.55   3.308% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HB2   PRO   93  12.17 +/- 1.38   0.157% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB2   PRO   93  17.85 +/- 0.86   0.012% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  16.09 +/- 1.03   0.024% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  23.12 +/- 1.45   0.003% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 0.897, support = 5.4, residual support = 132.4:
    * O T HD3   PRO   93 - HB2   PRO   93   3.86 +/- 0.29  79.359% * 97.4649% (0.90  10.0 10.00   5.40 132.44) =  99.972%  kept
          HB3   CYS   53 - HB2   PRO   93   6.26 +/- 2.08  13.818% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.019%
          QB    PHE   55 - HB2   PRO   93   6.59 +/- 1.49   4.375% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB2   PHE   59 - HB2   PRO   93   7.79 +/- 1.23   2.305% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   ARG+  54 - HB2   PRO   93  11.90 +/- 1.99   0.114% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HB2   PRO   93  19.99 +/- 1.45   0.005% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  17.68 +/- 1.21   0.010% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  23.15 +/- 1.53   0.002% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  25.87 +/- 2.92   0.001% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  21.19 +/- 1.52   0.003% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  20.31 +/- 1.78   0.004% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.78 +/- 1.82   0.003% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HG2   PRO   93   3.94 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.44) = 100.000%  kept
    Distance limit 4.87 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 = 132.4:
    * O T HB2   PRO   93 - HG2   PRO   93   2.60 +/- 0.30  97.991% * 98.7141% (1.00  10.0 10.00   5.40 132.44) =  99.994%  kept
        T HG3   PRO   52 - HG2   PRO   93   7.51 +/- 1.98   1.696% *  0.3047% (0.31   1.0 10.00   0.02   0.53) =   0.005%
          HB    VAL  108 - HG2   PRO   93   8.10 +/- 1.09   0.193% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   93  11.09 +/- 1.90   0.042% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93  10.04 +/- 1.84   0.067% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  12.80 +/- 1.32   0.010% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  22.78 +/- 1.66   0.000% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  21.54 +/- 1.03   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.40 +/- 0.88   0.000% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  27.73 +/- 1.75   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  37.34 +/- 2.27   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 132.4:
    * O T HD2   PRO   93 - HG2   PRO   93   2.50 +/- 0.27  99.992% * 99.7770% (0.73  10.0 10.00   4.00 132.44) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  13.44 +/- 1.29   0.007% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  19.79 +/- 0.77   0.000% *  0.0998% (0.73   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 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 132.4:
    * O T HD3   PRO   93 - HG2   PRO   93   2.70 +/- 0.29  94.077% * 98.6805% (0.90  10.0 10.00   4.00 132.44) =  99.994%  kept
          QB    PHE   55 - HG2   PRO   93   5.73 +/- 1.83   5.085% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB3   CYS   53 - HG2   PRO   93   6.93 +/- 1.70   0.667% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   PRO   93   8.74 +/- 1.36   0.153% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   93  11.88 +/- 1.69   0.018% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  21.61 +/- 1.77   0.000% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 25.1:
    * O T HB    THR   94 - HA    THR   94   3.05 +/- 0.02  99.860% * 99.2375% (0.84  10.0 10.00   2.43  25.15) = 100.000%  kept
          QB    SER  117 - HA    THR   94  11.00 +/- 1.02   0.054% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  13.03 +/- 0.37   0.017% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  13.59 +/- 0.83   0.014% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  11.84 +/- 1.30   0.036% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.90 +/- 0.84   0.008% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  16.13 +/- 0.68   0.005% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  15.73 +/- 1.02   0.006% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  18.88 +/- 0.96   0.002% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  21.68 +/- 0.97   0.001% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.94, residual support = 25.1:
    * O T QG2   THR   94 - HA    THR   94   2.29 +/- 0.17  99.977% * 99.7175% (1.00  10.0 10.00   2.94  25.15) = 100.000%  kept
          HD2   LYS+ 112 - HA    THR   94  12.52 +/- 1.81   0.007% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    THR   94  12.58 +/- 0.95   0.004% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  10.77 +/- 1.24   0.011% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  17.15 +/- 1.30   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.1:
    * O T HA    THR   94 - HB    THR   94   3.05 +/- 0.02  99.867% * 99.9751% (0.84  10.0 10.00   2.43  25.15) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94   9.29 +/- 0.53   0.133% *  0.0249% (0.21   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 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 = 25.1:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  99.990% * 99.7175% (0.84  10.0 10.00   2.43  25.15) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  11.21 +/- 1.68   0.007% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  14.63 +/- 2.10   0.002% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  14.91 +/- 1.19   0.001% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  16.76 +/- 1.19   0.001% *  0.0724% (0.61   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 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.94, residual support = 25.1:
    * O T HA    THR   94 - QG2   THR   94   2.29 +/- 0.17  99.942% * 99.9751% (1.00  10.0 10.00   2.94  25.15) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   9.08 +/- 0.84   0.058% *  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 = 25.1:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  99.955% * 99.2375% (0.84  10.0 10.00   2.43  25.15) = 100.000%  kept
          QB    SER   85 - QG2   THR   94   8.93 +/- 0.28   0.020% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  11.42 +/- 1.05   0.006% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QG2   THR   94  10.57 +/- 0.78   0.008% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  11.08 +/- 1.12   0.006% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.81 +/- 0.57   0.001% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  14.25 +/- 0.67   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  15.03 +/- 0.59   0.001% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.99 +/- 1.04   0.000% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  18.87 +/- 1.04   0.000% *  0.0992% (0.84   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 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   3.06 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.50) = 100.000%  kept
    Distance limit 3.70 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   2.57 +/- 0.13  99.994% * 99.8670% (1.00  10.0 10.00   4.00  73.50) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  13.16 +/- 0.65   0.006% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  20.03 +/- 0.75   0.000% *  0.0341% (0.34   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 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   3.06 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.50) = 100.000%  kept
    Distance limit 3.78 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  99.998% * 99.8670% (1.00  10.0 10.00   3.31  73.50) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  10.98 +/- 0.57   0.002% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  22.88 +/- 0.79   0.000% *  0.0341% (0.34   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 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   2.57 +/- 0.13 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.50) = 100.000%  kept
    Distance limit 3.44 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  73.50) = 100.000%  kept
    Distance limit 2.60 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 = 115.6:
    * O T HB2   MET   96 - HA    MET   96   2.99 +/- 0.06  99.174% * 99.6213% (0.98  10.0 10.00   5.00 115.57) = 100.000%  kept
          HB2   ASP- 105 - HA    MET   96   6.89 +/- 0.61   0.794% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    MET   96  12.73 +/- 0.88   0.018% *  0.0761% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  15.11 +/- 0.82   0.006% *  0.0723% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  16.41 +/- 0.64   0.004% *  0.0644% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  17.53 +/- 0.88   0.003% *  0.0684% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  19.74 +/- 0.70   0.001% *  0.0564% (0.55   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 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HB3   MET   96 - HA    MET   96   2.76 +/- 0.10  99.980% * 99.7402% (0.98  10.0 10.00   5.00 115.57) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  11.63 +/- 0.56   0.019% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  22.73 +/- 1.97   0.000% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.51 +/- 1.50   0.001% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  31.76 +/- 2.20   0.000% *  0.0685% (0.67   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 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HA    MET   96   3.04 +/- 0.52  99.993% * 99.6261% (0.98  10.0 10.00   4.44 115.57) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  16.84 +/- 2.22   0.007% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 115.6:
    * O T HG3   MET   96 - HA    MET   96   2.37 +/- 0.39  99.826% * 99.7437% (0.59  10.0 10.00   4.44 115.57) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96   7.37 +/- 0.63   0.170% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  15.41 +/- 1.27   0.002% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.33 +/- 0.84   0.002% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  20.39 +/- 1.01   0.000% *  0.1374% (0.82   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 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HA    MET   96 - HB2   MET   96   2.99 +/- 0.06  99.824% * 99.9773% (0.98  10.0 10.00   5.00 115.57) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.82 +/- 0.75   0.176% *  0.0227% (0.22   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 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 = 115.6:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.998% * 99.7402% (1.00  10.0 10.00   5.00 115.57) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  11.10 +/- 0.50   0.002% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  20.90 +/- 1.90   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  20.10 +/- 1.83   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  29.87 +/- 2.33   0.000% *  0.0685% (0.69   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 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HB2   MET   96   2.46 +/- 0.25  99.999% * 99.6261% (1.00  10.0 10.00   4.44 115.57) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  17.92 +/- 2.16   0.001% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 115.6:
    * O T HG3   MET   96 - HB2   MET   96   2.84 +/- 0.24  99.289% * 99.7437% (0.61  10.0 10.00   4.44 115.57) = 100.000%  kept
          HB3   TRP   87 - HB2   MET   96   6.91 +/- 0.86   0.705% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  18.21 +/- 1.09   0.002% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  16.18 +/- 1.22   0.004% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.36 +/- 0.82   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 = 115.6:
    * O T HA    MET   96 - HB3   MET   96   2.76 +/- 0.10  99.916% * 99.9773% (0.98  10.0 10.00   5.00 115.57) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.62 +/- 1.03   0.084% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.6:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  99.994% * 99.6213% (1.00  10.0 10.00   5.00 115.57) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   9.52 +/- 0.60   0.004% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  13.38 +/- 0.99   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  14.12 +/- 0.55   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.65 +/- 0.99   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  17.01 +/- 1.19   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  17.33 +/- 0.82   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 115.6:
    * O T HG2   MET   96 - HB3   MET   96   2.88 +/- 0.17  99.996% * 99.6261% (1.00  10.0 10.00   4.44 115.57) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  16.49 +/- 2.22   0.004% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 115.6:
    * O T HG3   MET   96 - HB3   MET   96   2.81 +/- 0.17  97.710% * 99.7437% (0.61  10.0 10.00   4.44 115.57) =  99.999%  kept
          HB3   TRP   87 - HB3   MET   96   5.68 +/- 0.91   2.284% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB3   MET   96  19.73 +/- 1.19   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  16.08 +/- 1.31   0.003% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  17.89 +/- 0.74   0.002% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.6:
    * O T HA    MET   96 - HG2   MET   96   3.04 +/- 0.52  99.920% * 99.6779% (0.98  10.0 10.00   4.44 115.57) = 100.000%  kept
        T HA    MET   96 - HB2   PRO   52  16.84 +/- 2.22   0.007% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HG2   MET   96  10.88 +/- 0.70   0.070% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  19.64 +/- 1.48   0.002% *  0.0067% (0.07   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 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HB2   MET   96 - HG2   MET   96   2.46 +/- 0.25  99.923% * 99.2205% (1.00  10.0 10.00   4.44 115.57) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   9.17 +/- 0.84   0.062% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  13.70 +/- 0.68   0.004% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  17.92 +/- 2.16   0.001% *  0.2915% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  14.05 +/- 0.84   0.003% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  16.32 +/- 0.78   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  15.19 +/- 1.16   0.003% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  18.41 +/- 0.96   0.001% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  17.86 +/- 0.68   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  18.75 +/- 1.92   0.001% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  20.83 +/- 1.32   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  23.77 +/- 2.14   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  27.44 +/- 1.21   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  30.98 +/- 2.20   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 = 115.6:
    * O T HB3   MET   96 - HG2   MET   96   2.88 +/- 0.17  99.519% * 99.3732% (1.00  10.0 10.00   4.44 115.57) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   7.38 +/- 0.86   0.452% *  0.0073% (0.07   1.0  1.00   0.02   1.76) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.88 +/- 0.73   0.024% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  16.49 +/- 2.22   0.004% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  22.85 +/- 1.72   0.001% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  21.49 +/- 1.53   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  25.77 +/- 2.08   0.000% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  31.60 +/- 2.28   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  29.41 +/- 2.45   0.000% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  39.49 +/- 2.46   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 = 115.6:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  99.948% * 99.2819% (0.61  10.0 10.00   4.00 115.57) = 100.000%  kept
          HB3   TRP   87 - HG2   MET   96   6.42 +/- 0.66   0.050% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  18.18 +/- 2.17   0.000% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  15.88 +/- 1.70   0.000% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  14.99 +/- 2.92   0.001% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  18.92 +/- 1.07   0.000% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  17.84 +/- 1.25   0.000% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  19.18 +/- 1.00   0.000% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  16.10 +/- 2.36   0.000% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  34.12 +/- 2.72   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 = 115.6:
    * O T HA    MET   96 - HG3   MET   96   2.37 +/- 0.39  99.981% * 99.9773% (0.59  10.0 10.00   4.44 115.57) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  11.24 +/- 0.73   0.019% *  0.0227% (0.14   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 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HB2   MET   96 - HG3   MET   96   2.84 +/- 0.24  99.780% * 99.6213% (0.61  10.0 10.00   4.44 115.57) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   8.45 +/- 0.87   0.201% *  0.0410% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  13.91 +/- 0.99   0.008% *  0.0761% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  14.64 +/- 0.84   0.006% *  0.0723% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  16.55 +/- 0.79   0.003% *  0.0644% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  18.63 +/- 0.99   0.001% *  0.0684% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  18.72 +/- 0.97   0.001% *  0.0564% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HB3   MET   96 - HG3   MET   96   2.81 +/- 0.17  99.979% * 99.7402% (0.61  10.0 10.00   4.44 115.57) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  12.20 +/- 0.99   0.020% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  23.34 +/- 1.92   0.000% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  21.05 +/- 1.69   0.001% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  32.14 +/- 2.34   0.000% *  0.0685% (0.42   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 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.6:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00 100.000% * 99.6261% (0.61  10.0 10.00   4.00 115.57) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  18.18 +/- 2.17   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 = 62.7:
    * O T HB2   PHE   97 - HA    PHE   97   2.95 +/- 0.23  99.210% * 99.7149% (1.00  10.0 10.00   2.89  62.70) = 100.000%  kept
          QE    LYS+ 106 - HA    PHE   97   7.81 +/- 0.78   0.326% *  0.0724% (0.73   1.0  1.00   0.02  10.18) =   0.000%
          QE    LYS+  99 - HA    PHE   97   7.61 +/- 0.51   0.398% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  12.41 +/- 1.01   0.024% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    PHE   97  11.71 +/- 1.22   0.036% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  14.73 +/- 0.79   0.007% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.7:
    * O T HB3   PHE   97 - HA    PHE   97   2.63 +/- 0.14  99.978% * 99.7224% (0.95  10.0 10.00   3.44  62.70) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  11.25 +/- 0.51   0.018% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  15.75 +/- 1.06   0.002% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  17.68 +/- 1.13   0.001% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  17.93 +/- 0.95   0.001% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.7:
    * O T HA    PHE   97 - HB2   PHE   97   2.95 +/- 0.23 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.70) = 100.000%  kept
    Distance limit 3.70 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 = 62.7:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.998% * 99.7224% (0.95  10.0 10.00   3.31  62.70) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.97 +/- 0.75   0.001% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.22 +/- 0.91   0.000% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  17.86 +/- 1.15   0.000% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  19.89 +/- 0.82   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 = 62.7:
    * O T HA    PHE   97 - HB3   PHE   97   2.63 +/- 0.14 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.70) = 100.000%  kept
    Distance limit 3.46 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 = 62.7:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  99.928% * 99.7149% (0.95  10.0 10.00   3.31  62.70) = 100.000%  kept
          QE    LYS+ 106 - HB3   PHE   97   7.04 +/- 1.02   0.038% *  0.0724% (0.69   1.0  1.00   0.02  10.18) =   0.000%
          QE    LYS+  99 - HB3   PHE   97   6.99 +/- 0.80   0.032% *  0.0410% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  12.53 +/- 1.35   0.001% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  14.80 +/- 0.90   0.000% *  0.0995% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.93 +/- 0.82   0.000% *  0.0197% (0.19   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 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 = 82.0:
    * O T QB    LEU   98 - HA    LEU   98   2.21 +/- 0.06  99.936% * 99.2568% (0.87  10.0 10.00   4.97  81.96) = 100.000%  kept
          HD3   LYS+ 121 - HA    LEU   98  11.14 +/- 1.79   0.012% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LEU   98   8.58 +/- 0.84   0.039% *  0.0226% (0.20   1.0  1.00   0.02   0.63) =   0.000%
          HB3   LEU   67 - HA    LEU   98  13.23 +/- 2.24   0.003% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  13.04 +/- 1.67   0.004% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  17.43 +/- 0.94   0.000% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  17.76 +/- 0.95   0.000% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.06 +/- 0.62   0.002% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  17.13 +/- 1.71   0.001% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.60 +/- 1.12   0.001% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  17.46 +/- 1.32   0.000% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.38 +/- 0.74   0.001% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  22.32 +/- 2.09   0.000% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.99 +/- 1.30   0.000% *  0.0226% (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 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.988, support = 4.71, residual support = 80.7:
    *   T QD1   LEU   98 - HA    LEU   98   2.98 +/- 0.56  75.485% * 94.7175% (1.00 10.00   4.73  81.96) =  98.240%  kept
          QD2   LEU  104 - HA    LEU   98   3.94 +/- 0.86  24.497% *  5.2282% (0.31  1.00   3.58   8.33) =   1.760%  kept
          QG2   ILE   19 - HA    LEU   98  13.90 +/- 1.00   0.011% *  0.0355% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  15.24 +/- 1.45   0.007% *  0.0187% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.36, residual support = 81.4:
    *   T QD2   LEU   98 - HA    LEU   98   3.53 +/- 0.61  90.260% * 89.4988% (1.00 10.00   4.39  81.96) =  98.895%  kept
          QG2   VAL   41 - HA    LEU   98   5.37 +/- 0.50   9.428% *  9.5694% (0.95  1.00   2.26  28.75) =   1.104%  kept
        T QD1   LEU   80 - HA    LEU   98  15.18 +/- 1.37   0.023% *  0.8950% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   98  10.52 +/- 2.31   0.289% *  0.0368% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 82.0:
    * O T HA    LEU   98 - QB    LEU   98   2.21 +/- 0.06 100.000% *100.0000% (0.87  10.0 10.00   4.97  81.96) = 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 = 3.75, residual support = 82.0:
    * O T QD1   LEU   98 - QB    LEU   98   2.14 +/- 0.14  98.643% * 99.7344% (0.87  10.0 10.00   3.75  81.96) = 100.000%  kept
          QD2   LEU  104 - QB    LEU   98   4.97 +/- 0.83   1.348% *  0.0308% (0.27   1.0  1.00   0.02   8.33) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  12.64 +/- 1.22   0.003% *  0.1974% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QB    LEU   98  11.38 +/- 0.84   0.006% *  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 = 0.861, support = 3.33, residual support = 74.8:
    * O T QD2   LEU   98 - QB    LEU   98   2.15 +/- 0.16  85.844% * 51.1151% (0.87  10.0 10.00   3.44  81.96) =  86.581%  kept
        T QG2   VAL   41 - QB    LEU   98   3.19 +/- 0.74  14.064% * 48.3528% (0.82   1.0 10.00   2.63  28.75) =  13.418%  kept
          QD2   LEU   63 - QB    LEU   98  10.08 +/- 2.19   0.088% *  0.0210% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QB    LEU   98  12.48 +/- 1.50   0.003% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 4.73, residual support = 82.0:
    *   T HA    LEU   98 - QD1   LEU   98   2.98 +/- 0.56 100.000% *100.0000% (1.00 10.00   4.73  81.96) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.75, residual support = 82.0:
    * O T QB    LEU   98 - QD1   LEU   98   2.14 +/- 0.14  99.858% * 98.1517% (0.87  10.0 10.00   3.75  81.96) = 100.000%  kept
        T HG    LEU   80 - QD1   LEU   98  12.47 +/- 1.70   0.004% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   98   7.71 +/- 0.99   0.082% *  0.0224% (0.20   1.0  1.00   0.02   0.63) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  14.16 +/- 1.47   0.002% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  10.98 +/- 1.51   0.010% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  12.64 +/- 1.52   0.003% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98  10.01 +/- 1.65   0.021% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  13.59 +/- 1.17   0.002% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  12.47 +/- 2.06   0.009% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.28 +/- 0.87   0.002% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  11.85 +/- 0.85   0.004% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  13.76 +/- 1.32   0.002% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  18.98 +/- 1.88   0.000% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  17.33 +/- 1.72   0.001% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.88, residual support = 82.0:
    * O T QD2   LEU   98 - QD1   LEU   98   2.05 +/- 0.06  95.457% * 98.8770% (1.00  10.0 10.00   2.88  81.96) =  99.996%  kept
          QG2   VAL   41 - QD1   LEU   98   4.12 +/- 0.98   4.192% *  0.0935% (0.95   1.0  1.00   0.02  28.75) =   0.004%
          QD2   LEU   63 - QD1   LEU   98   9.65 +/- 2.52   0.344% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD1   LEU   98  10.95 +/- 1.75   0.006% *  0.9888% (1.00   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 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 82.0:
    *   T HA    LEU   98 - QD2   LEU   98   3.53 +/- 0.61  99.974% * 99.4301% (1.00 10.00   4.39  81.96) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  15.18 +/- 1.37   0.026% *  0.5699% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.682, support = 4.02, residual support = 81.2:
    * O T QB    LEU   98 - QD2   LEU   98   2.15 +/- 0.16  38.166% * 50.3539% (0.87  10.0 10.00   3.44  81.96) =  59.676%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.02  42.605% * 16.1964% (0.28  10.0  1.00   4.64  79.95) =  21.428%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.52 +/- 0.38  18.950% * 32.1120% (0.55  10.0 10.00   5.17  79.95) =  18.896%  kept
          HB    VAL   42 - QD2   LEU   98   6.21 +/- 0.99   0.158% *  0.0115% (0.20   1.0  1.00   0.02   0.63) =   0.000%
        T HB2   LEU   80 - QD2   LEU   98  11.67 +/- 1.11   0.002% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   80   7.59 +/- 1.14   0.027% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  12.48 +/- 1.50   0.001% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   8.40 +/- 1.72   0.032% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   7.45 +/- 1.21   0.035% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  11.40 +/- 1.60   0.003% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  12.14 +/- 1.30   0.001% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  11.44 +/- 1.51   0.002% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  12.50 +/- 1.59   0.002% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  11.43 +/- 1.72   0.005% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.44 +/- 0.87   0.003% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  11.62 +/- 0.82   0.002% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.21 +/- 1.06   0.001% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  12.78 +/- 1.22   0.001% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  12.80 +/- 1.24   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.25 +/- 0.99   0.000% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  12.42 +/- 1.30   0.001% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  17.76 +/- 1.87   0.000% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  14.17 +/- 1.52   0.001% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  16.13 +/- 1.32   0.000% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  17.89 +/- 1.91   0.000% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  20.70 +/- 1.70   0.000% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  17.72 +/- 1.60   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  17.95 +/- 1.50   0.000% *  0.0066% (0.11   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 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.88, residual support = 82.0:
    * O T QD1   LEU   98 - QD2   LEU   98   2.05 +/- 0.06  99.612% * 98.8641% (1.00  10.0 10.00   2.88  81.96) =  99.999%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.02 +/- 0.95   0.308% *  0.3051% (0.31   1.0 10.00   0.02   8.33) =   0.001%
        T QD1   LEU   98 - QD1   LEU   80  10.95 +/- 1.75   0.007% *  0.5667% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80   7.80 +/- 0.84   0.045% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   9.74 +/- 1.01   0.011% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80   9.49 +/- 0.84   0.012% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  11.10 +/- 1.23   0.005% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  15.73 +/- 1.08   0.001% *  0.1749% (0.18   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 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.8:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.25 +/- 0.42  97.550% * 98.7502% (1.00  10.0 10.00   6.44 171.80) =  99.996%  kept
        T HG3   LYS+  38 - HA    LYS+  99   8.25 +/- 1.65   0.666% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   39 - HA    LYS+  99   7.01 +/- 0.80   1.543% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  99  10.29 +/- 1.63   0.214% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  17.53 +/- 0.66   0.005% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  16.75 +/- 1.74   0.008% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  18.26 +/- 1.16   0.004% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  20.30 +/- 1.31   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.75 +/- 1.83   0.005% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.37 +/- 1.17   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.669, support = 5.81, residual support = 171.8:
      O T HB3   LYS+  99 - HA    LYS+  99   2.63 +/- 0.26  75.628% * 28.6795% (0.41  10.0 10.00   5.80 171.80) =  56.290%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.57 +/- 0.84  24.143% * 69.7607% (1.00   1.0 10.00   5.82 171.80) =  43.710%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.91 +/- 0.66   0.012% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+  99   8.18 +/- 1.10   0.208% *  0.0155% (0.22   1.0  1.00   0.02   1.51) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  16.73 +/- 2.26   0.002% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  17.95 +/- 1.47   0.001% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  13.69 +/- 1.30   0.005% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  22.66 +/- 0.53   0.000% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  23.87 +/- 1.04   0.000% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.88 +/- 0.54   0.000% *  0.0262% (0.38   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 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 171.8:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.63 +/- 0.33  98.184% * 98.5233% (1.00  10.0 10.00   7.05 171.80) =  99.998%  kept
        T HG2   LYS+  38 - HA    LYS+  99   8.75 +/- 1.30   0.137% *  0.9657% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+  99   6.24 +/- 0.74   1.625% *  0.0219% (0.22   1.0  1.00   0.02  17.04) =   0.000%
          HB2   LEU   31 - HA    LYS+  99  10.65 +/- 1.09   0.031% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  14.78 +/- 2.90   0.009% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  14.88 +/- 1.11   0.004% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  15.37 +/- 0.71   0.003% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  17.07 +/- 0.78   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  19.76 +/- 0.97   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  17.74 +/- 0.68   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  22.80 +/- 1.88   0.000% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  17.92 +/- 0.87   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 171.8:
    *   T QE    LYS+  99 - HA    LYS+  99   3.62 +/- 0.40  96.791% * 98.3577% (1.00 10.00   5.25 171.80) =  99.984%  kept
        T QE    LYS+ 102 - HA    LYS+  99   8.27 +/- 1.05   1.353% *  0.6756% (0.69 10.00   0.02   1.51) =   0.010%
        T QE    LYS+  38 - HA    LYS+  99   9.11 +/- 0.98   0.614% *  0.8821% (0.90 10.00   0.02   0.02) =   0.006%
          HB2   PHE   97 - HA    LYS+  99   7.69 +/- 0.45   1.219% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+  99  15.21 +/- 0.90   0.022% *  0.0441% (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 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 171.8:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.87 +/- 0.25  96.354% * 99.5483% (1.00  10.0 10.00   7.00 171.80) =  99.999%  kept
          HA    LEU   40 - HB2   LYS+  99   5.20 +/- 0.80   3.559% *  0.0248% (0.25   1.0  1.00   0.02  12.23) =   0.001%
          HA    ASN   35 - HB2   LYS+  99   9.96 +/- 0.85   0.075% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  15.10 +/- 2.22   0.008% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  21.63 +/- 0.58   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  22.88 +/- 1.93   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  19.23 +/- 1.20   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  18.72 +/- 1.47   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  22.35 +/- 1.25   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  23.10 +/- 2.28   0.000% *  0.0135% (0.14   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 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.8:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.48 +/- 0.20  99.870% * 98.7502% (1.00  10.0 10.00   6.44 171.80) = 100.000%  kept
        T HG3   LYS+  38 - HB2   LYS+  99   9.67 +/- 1.57   0.042% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  99   8.79 +/- 0.66   0.071% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  12.58 +/- 1.65   0.013% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  17.87 +/- 0.94   0.001% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  18.89 +/- 1.89   0.001% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  19.67 +/- 1.39   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  20.37 +/- 1.41   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.87 +/- 1.68   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  22.54 +/- 0.99   0.000% *  0.0337% (0.34   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 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.521, support = 4.82, residual support = 171.8:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  91.353% * 29.0322% (0.41  10.0   4.62 171.80) =  81.341%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.72 +/- 0.38   8.615% * 70.6187% (1.00  10.0   5.69 171.80) =  18.659%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.42 +/- 1.30   0.030% *  0.0157% (0.22   1.0   0.02   1.51) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  11.02 +/- 0.62   0.002% *  0.0705% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  15.68 +/- 1.37   0.000% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  15.87 +/- 2.05   0.000% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  18.03 +/- 1.48   0.000% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.65 +/- 0.94   0.000% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.93 +/- 1.01   0.000% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.84 +/- 0.91   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 = 7.05, residual support = 171.8:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.88 +/- 0.24  99.253% * 99.3871% (1.00  10.0   7.05 171.80) = 100.000%  kept
          HG    LEU   98 - HB2   LYS+  99   7.25 +/- 0.67   0.635% *  0.0221% (0.22   1.0   0.02  17.04) =   0.000%
          HG2   LYS+  38 - HB2   LYS+  99  10.34 +/- 1.23   0.059% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  12.82 +/- 0.67   0.015% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  14.05 +/- 2.63   0.021% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  15.37 +/- 1.25   0.005% *  0.0563% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  17.09 +/- 1.02   0.003% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  16.33 +/- 1.25   0.004% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  18.49 +/- 0.96   0.002% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  21.83 +/- 1.62   0.001% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  21.29 +/- 0.89   0.001% *  0.0683% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  18.66 +/- 1.07   0.002% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 171.8:
    *     QE    LYS+  99 - HB2   LYS+  99   3.66 +/- 0.57  93.935% * 99.0418% (1.00   5.05 171.80) =  99.984%  kept
          QE    LYS+ 102 - HB2   LYS+  99   7.59 +/- 1.38   3.662% *  0.2694% (0.69   0.02   1.51) =   0.011%
          HB2   PHE   97 - HB2   LYS+  99   7.17 +/- 0.54   2.011% *  0.1612% (0.41   0.02   0.02) =   0.003%
          QE    LYS+  38 - HB2   LYS+  99  10.09 +/- 1.17   0.380% *  0.3517% (0.90   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB2   LYS+  99  17.17 +/- 0.78   0.012% *  0.1758% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.8:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.25 +/- 0.42  75.998% * 97.9094% (1.00  10.0 10.00   6.44 171.80) =  99.994%  kept
          HA    LEU   40 - HG3   LYS+  99   4.95 +/- 1.16  10.562% *  0.0244% (0.25   1.0  1.00   0.02  12.23) =   0.003%
          HA    ASN   35 - HG3   LYS+  38   4.76 +/- 0.77  12.148% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  99 - HG3   LYS+  38   8.25 +/- 1.65   0.502% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG3   LYS+  99   9.15 +/- 1.02   0.210% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  17.53 +/- 0.66   0.004% *  0.3971% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  15.22 +/- 2.45   0.018% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   7.94 +/- 0.85   0.513% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  24.30 +/- 1.63   0.001% *  0.9262% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  16.18 +/- 1.99   0.008% *  0.0376% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  19.07 +/- 1.30   0.002% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  23.14 +/- 0.80   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  17.49 +/- 1.46   0.005% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  21.43 +/- 0.78   0.001% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  20.29 +/- 1.22   0.002% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  20.43 +/- 3.57   0.005% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  18.34 +/- 1.78   0.003% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  17.98 +/- 0.63   0.003% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  23.77 +/- 1.57   0.001% *  0.0344% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  18.67 +/- 1.80   0.003% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  29.56 +/- 1.94   0.000% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  22.22 +/- 2.54   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  23.33 +/- 1.31   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  17.45 +/- 1.96   0.005% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  19.31 +/- 2.80   0.003% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  23.39 +/- 0.93   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  29.94 +/- 1.61   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  25.29 +/- 1.37   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  29.39 +/- 1.73   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  27.46 +/- 1.27   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 0.06 A, kept.
 
    Peak 1172 (1.24, 1.24, 26.01 ppm):
    3 diagonal assignments:
    *     HG3   LYS+  99 - HG3   LYS+  99  (1.00)  kept
          HG12  ILE   89 - HG12  ILE   89  (0.17)  kept
          HG3   LYS+  38 - HG3   LYS+  38  (0.04)  kept
 
    Peak 1175 (3.01, 1.24, 26.01 ppm):
    15 chemical-shift based assignments, quality = 0.897, support = 4.58, residual support = 177.1:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.85 +/- 0.47  41.966% * 89.0505% (1.00  10.0 10.00   4.62 171.80) =  88.676%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.68 +/- 0.36  57.235% *  8.3338% (0.09  10.0 10.00   4.27 218.54) =  11.318%  kept
        T QE    LYS+ 102 - HG3   LYS+  99   8.64 +/- 1.64   0.193% *  0.6117% (0.69   1.0 10.00   0.02   1.51) =   0.003%
        T QE    LYS+  38 - HG3   LYS+  99   8.53 +/- 1.14   0.074% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HG3   LYS+  38   7.59 +/- 1.98   0.455% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG3   LYS+  99   9.11 +/- 0.60   0.039% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  12.16 +/- 2.06   0.014% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  15.36 +/- 2.42   0.003% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  17.78 +/- 1.08   0.001% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  12.11 +/- 0.86   0.009% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  12.40 +/- 0.76   0.007% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  23.61 +/- 0.79   0.000% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  18.17 +/- 0.92   0.001% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  15.70 +/- 1.54   0.002% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  18.88 +/- 0.62   0.001% *  0.0042% (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 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 5.8, residual support = 171.4:
    *   T HA    LYS+  99 - QD    LYS+  99   3.57 +/- 0.84  77.204% * 94.9767% (1.00 10.00   5.82 171.80) =  99.786%  kept
          HA    LEU   40 - QD    LYS+  99   4.54 +/- 1.32  21.932% *  0.7062% (0.25  1.00   0.60  12.23) =   0.211%
        T HA    LEU  123 - QD    LYS+  99  12.36 +/- 2.54   0.146% *  0.8239% (0.87 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  99 - QD    LYS+ 106  11.91 +/- 0.66   0.102% *  0.7647% (0.81 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD    LYS+  99   9.11 +/- 1.23   0.378% *  0.0917% (0.97  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+ 106  15.36 +/- 2.05   0.027% *  0.7234% (0.76 10.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+ 106  16.39 +/- 0.85   0.014% *  0.6633% (0.70 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  13.14 +/- 0.99   0.056% *  0.0639% (0.67  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  20.81 +/- 1.61   0.003% *  0.8984% (0.95 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  13.23 +/- 0.92   0.051% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  17.66 +/- 1.38   0.011% *  0.0738% (0.78  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  14.81 +/- 1.33   0.029% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  19.65 +/- 1.06   0.005% *  0.0793% (0.84  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  17.12 +/- 1.25   0.010% *  0.0237% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  15.99 +/- 1.70   0.013% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  17.74 +/- 1.17   0.009% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  19.64 +/- 2.34   0.005% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  19.91 +/- 1.23   0.004% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.90 +/- 1.03   0.002% *  0.0103% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  27.06 +/- 1.68   0.001% *  0.0103% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.84, residual support = 171.8:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.43 +/- 0.16  99.501% * 97.4178% (1.00  10.0  1.00   5.84 171.80) = 100.000%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  10.16 +/- 2.01   0.034% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  99   8.62 +/- 1.39   0.090% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 106   8.45 +/- 1.14   0.088% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  99  11.37 +/- 2.89   0.077% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.32 +/- 0.64   0.069% *  0.0217% (0.22   1.0  1.00   0.02  17.04) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   8.71 +/- 1.17   0.084% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  12.59 +/- 1.14   0.006% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  13.26 +/- 0.62   0.004% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  20.50 +/- 1.61   0.000% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.97 +/- 0.82   0.008% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.66 +/- 1.01   0.010% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  13.59 +/- 1.26   0.004% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  13.41 +/- 1.04   0.004% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  15.86 +/- 1.37   0.002% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  11.89 +/- 1.07   0.009% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.31 +/- 0.98   0.002% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  16.42 +/- 1.59   0.001% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  16.91 +/- 1.10   0.001% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  15.81 +/- 1.04   0.002% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  19.28 +/- 1.41   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  17.65 +/- 0.78   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  20.45 +/- 1.41   0.000% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  18.05 +/- 1.25   0.001% *  0.0150% (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 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 171.8:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.31 +/- 0.16  99.477% * 94.6730% (1.00  10.0 10.00   5.27 171.80) =  99.999%  kept
        T HG3   LYS+  38 - QD    LYS+  99   7.96 +/- 1.40   0.104% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  99   7.10 +/- 1.17   0.298% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+ 106   8.91 +/- 1.26   0.051% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  10.91 +/- 1.37   0.011% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  12.94 +/- 0.67   0.004% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  11.26 +/- 1.84   0.012% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  11.17 +/- 1.84   0.019% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  15.65 +/- 0.89   0.001% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  10.73 +/- 1.72   0.016% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  18.22 +/- 1.40   0.001% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  17.66 +/- 1.05   0.001% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  16.44 +/- 1.33   0.001% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  18.84 +/- 1.62   0.000% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  16.76 +/- 1.98   0.001% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  14.68 +/- 0.87   0.002% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  16.98 +/- 1.32   0.001% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  21.10 +/- 1.19   0.000% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.46 +/- 1.20   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  20.20 +/- 0.94   0.000% *  0.0721% (0.76   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 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 171.8:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  99.637% * 96.3213% (1.00  10.0 10.00   4.00 171.80) =  99.999%  kept
        T QE    LYS+  38 - QD    LYS+  99   8.31 +/- 1.20   0.039% *  0.8638% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  99   8.64 +/- 1.36   0.046% *  0.6616% (0.69   1.0 10.00   0.02   1.51) =   0.000%
        T QE    LYS+ 102 - QD    LYS+ 106   9.44 +/- 1.75   0.034% *  0.5327% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+ 106   6.21 +/- 0.68   0.189% *  0.0319% (0.33   1.0  1.00   0.02  10.18) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  11.95 +/- 0.93   0.003% *  0.7755% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.59 +/- 0.63   0.052% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  18.18 +/- 1.34   0.000% *  0.6955% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.43 +/- 1.23   0.000% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.84 +/- 0.99   0.001% *  0.0348% (0.36   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 = 0.976, support = 5.14, residual support = 166.7:
    *   T HA    LYS+  99 - QE    LYS+  99   3.62 +/- 0.40  40.749% * 95.8957% (1.00 10.00   5.25 171.80) =  96.788%  kept
          HA    LEU   40 - QE    LYS+  99   3.63 +/- 1.28  54.567% *  2.3663% (0.25  1.00   1.98  12.23) =   3.198%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.27 +/- 1.05   0.576% *  0.6540% (0.68 10.00   0.02   1.51) =   0.009%
          HA    ASN   35 - QE    LYS+  38   5.84 +/- 0.62   2.740% *  0.0250% (0.26  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  99 - QE    LYS+  38   9.11 +/- 0.98   0.203% *  0.2587% (0.27 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QE    LYS+  99   8.71 +/- 1.16   0.217% *  0.0925% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  99  11.75 +/- 3.09   0.114% *  0.0832% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.31 +/- 1.53   0.514% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+ 102  11.45 +/- 1.43   0.066% *  0.0631% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   9.05 +/- 0.44   0.200% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  19.05 +/- 2.29   0.005% *  0.0567% (0.59  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  16.46 +/- 1.43   0.006% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  19.66 +/- 1.48   0.002% *  0.0801% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  20.32 +/- 1.84   0.002% *  0.0907% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  14.53 +/- 1.53   0.011% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  19.43 +/- 3.32   0.003% *  0.0224% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.08 +/- 1.53   0.001% *  0.0546% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  23.57 +/- 2.07   0.001% *  0.0619% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  18.09 +/- 2.34   0.003% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  19.08 +/- 1.26   0.002% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.42 +/- 2.09   0.002% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  21.74 +/- 2.35   0.003% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  17.10 +/- 1.88   0.005% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  25.48 +/- 3.40   0.002% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  18.21 +/- 2.65   0.003% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  24.05 +/- 1.82   0.001% *  0.0101% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  28.22 +/- 1.67   0.000% *  0.0245% (0.26  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  28.25 +/- 1.43   0.000% *  0.0216% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  24.34 +/- 1.21   0.001% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  26.33 +/- 1.12   0.000% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.464, support = 4.12, residual support = 171.8:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  86.683% * 59.3752% (0.41  10.0 10.00   4.00 171.80) =  91.085%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.27 +/- 0.66  13.149% * 38.3098% (1.00   1.0  1.00   5.31 171.80) =   8.915%  kept
        T QD    LYS+  99 - QE    LYS+ 102   8.64 +/- 1.36   0.036% *  0.4049% (0.28   1.0 10.00   0.02   1.51) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.44 +/- 1.75   0.030% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 102   8.01 +/- 1.32   0.056% *  0.0985% (0.68   1.0  1.00   0.02   1.51) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.31 +/- 1.20   0.032% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.95 +/- 0.93   0.003% *  0.5420% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38  10.12 +/- 0.98   0.008% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  16.19 +/- 1.45   0.000% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  16.38 +/- 2.76   0.001% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.66 +/- 1.03   0.001% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  18.18 +/- 1.34   0.000% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  18.73 +/- 1.13   0.000% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.80 +/- 1.55   0.000% *  0.0965% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.09 +/- 1.75   0.000% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.63 +/- 0.74   0.000% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  23.28 +/- 1.25   0.000% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  24.13 +/- 0.94   0.000% *  0.0298% (0.21   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 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.891, support = 4.58, residual support = 177.5:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.85 +/- 0.47  41.521% * 88.1476% (1.00  10.0 10.00   4.62 171.80) =  87.869%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.68 +/- 0.36  56.575% *  8.9252% (0.10  10.0 10.00   4.27 218.54) =  12.123%  kept
        T HG3   LYS+  38 - QE    LYS+  99   7.59 +/- 1.98   0.441% *  0.3308% (0.38   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  99 - QE    LYS+ 102   8.64 +/- 1.64   0.191% *  0.6011% (0.68   1.0 10.00   0.02   1.51) =   0.003%
          QG2   THR   39 - QE    LYS+  99   5.82 +/- 1.32   0.975% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QE    LYS+  38   8.53 +/- 1.14   0.073% *  0.2378% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  99   9.95 +/- 1.64   0.045% *  0.0874% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  12.16 +/- 2.06   0.013% *  0.2256% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  38   7.79 +/- 0.58   0.123% *  0.0154% (0.17   1.0  1.00   0.02  22.95) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  15.36 +/- 2.42   0.003% *  0.2471% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  12.38 +/- 1.74   0.018% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  17.78 +/- 1.08   0.001% *  0.3624% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  12.50 +/- 1.41   0.008% *  0.0236% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  15.50 +/- 1.86   0.002% *  0.0834% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  15.54 +/- 2.01   0.002% *  0.0596% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  17.49 +/- 1.06   0.001% *  0.0880% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  17.78 +/- 2.21   0.001% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  16.16 +/- 1.54   0.002% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  19.56 +/- 1.10   0.000% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  20.23 +/- 1.42   0.000% *  0.0600% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  20.97 +/- 1.98   0.000% *  0.0569% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  18.55 +/- 1.48   0.001% *  0.0225% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  23.61 +/- 0.79   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.18 +/- 1.98   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  21.19 +/- 1.99   0.000% *  0.0205% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.30 +/- 1.43   0.000% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  23.00 +/- 0.94   0.000% *  0.0237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  25.06 +/- 1.08   0.000% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  22.64 +/- 1.63   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  29.50 +/- 1.36   0.000% *  0.0081% (0.09   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 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.98 +/- 0.11  94.098% * 99.1823% (1.00  10.0 10.00   4.26  75.53) =  99.996%  kept
        T HB2   GLU- 100 - HA    LYS+  38   5.42 +/- 1.04   5.618% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PHE   97 - HA    GLU- 100  10.82 +/- 0.67   0.045% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100   9.80 +/- 1.08   0.091% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.05 +/- 0.46   0.132% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  26.57 +/- 1.20   0.000% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  13.22 +/- 0.94   0.014% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  22.40 +/- 1.32   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  24.83 +/- 1.27   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  26.87 +/- 1.02   0.000% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  22.94 +/- 0.72   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.37 +/- 1.73   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.54 +/- 0.21  87.866% * 99.2716% (1.00  10.0 10.00   4.26  75.53) =  99.992%  kept
        T HB3   GLU- 100 - HA    LYS+  38   4.49 +/- 1.23  12.084% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.008%
          HB2   GLN   30 - HA    GLU- 100  12.07 +/- 1.46   0.011% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  13.98 +/- 1.54   0.005% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.35 +/- 0.67   0.013% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  15.50 +/- 2.19   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  18.44 +/- 1.25   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.84 +/- 0.81   0.007% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  20.63 +/- 1.67   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.29 +/- 0.80   0.000% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  13.00 +/- 1.98   0.008% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.33 +/- 0.59   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  21.41 +/- 1.45   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.45 +/- 1.07   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  31.02 +/- 1.87   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  26.01 +/- 1.63   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  21.72 +/- 1.97   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.34 +/- 0.92   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  19.83 +/- 1.29   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  25.24 +/- 0.81   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  32.07 +/- 1.66   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.47 +/- 1.58   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.67, residual support = 74.9:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.95 +/- 0.31  54.847% * 98.5236% (1.00  10.0 10.00   4.71  75.53) =  99.140%  kept
        T HG2   GLU- 100 - HA    LYS+  38   3.37 +/- 1.33  45.084% *  1.0397% (0.06   1.0 10.00   0.35   0.02) =   0.860%  kept
          HB2   MET   96 - HA    GLU- 100  12.30 +/- 0.55   0.011% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.17 +/- 1.38   0.016% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  15.08 +/- 0.62   0.003% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  15.79 +/- 1.42   0.003% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.30 +/- 1.02   0.024% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  19.29 +/- 1.74   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  24.82 +/- 1.06   0.000% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.77 +/- 0.64   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.03 +/- 1.43   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.92 +/- 0.39   0.003% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.77 +/- 1.26   0.001% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  27.77 +/- 1.23   0.000% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.65 +/- 1.67   0.002% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  25.63 +/- 0.80   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.82 +/- 0.44   0.001% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  30.12 +/- 1.37   0.000% *  0.0029% (0.03   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 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.98 +/- 0.11  94.365% * 98.6741% (1.00  10.0 10.00   4.26  75.53) =  99.987%  kept
        T HA    LYS+  38 - HB2   GLU- 100   5.42 +/- 1.04   5.634% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.013%
        T HD2   PRO   58 - HB2   GLU- 100  28.12 +/- 1.69   0.000% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   GLU- 100  20.62 +/- 1.13   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  28.66 +/- 1.33   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.5:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 99.3690% (1.00  10.0 10.00   2.00  75.53) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  14.19 +/- 0.96   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  16.15 +/- 1.08   0.000% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  16.43 +/- 2.18   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  18.57 +/- 1.38   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  20.73 +/- 1.84   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  21.00 +/- 0.95   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.30 +/- 0.98   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  22.70 +/- 1.67   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  26.29 +/- 1.57   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  32.24 +/- 1.98   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 = 3.23, residual support = 75.5:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.98 +/- 0.08  99.951% * 99.5837% (1.00  10.0 10.00   3.23  75.53) = 100.000%  kept
          HB2   MET   96 - HB2   GLU- 100  13.70 +/- 0.76   0.012% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  12.70 +/- 1.53   0.026% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLU- 100  15.04 +/- 1.00   0.007% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  18.05 +/- 0.84   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  20.35 +/- 1.92   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  26.80 +/- 1.22   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  22.34 +/- 0.73   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  28.86 +/- 1.17   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.54 +/- 0.21  87.912% * 99.5406% (1.00  10.0 10.00   4.26  75.53) =  99.969%  kept
        T HA    LYS+  38 - HB3   GLU- 100   4.49 +/- 1.23  12.087% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.031%
          HA    VAL   83 - HB3   GLU- 100  20.47 +/- 1.12   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  28.46 +/- 1.61   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  28.91 +/- 1.28   0.000% *  0.0409% (0.41   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 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.5:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.997% * 99.6840% (1.00  10.0 10.00   2.00  75.53) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.96 +/- 0.66   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  10.72 +/- 1.02   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  25.64 +/- 1.50   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  24.02 +/- 1.17   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  27.66 +/- 1.37   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 = 3.23, residual support = 75.5:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.38 +/- 0.11  99.988% * 99.0882% (1.00  10.0 10.00   3.23  75.53) = 100.000%  kept
        T HB    VAL   70 - HB3   GLU- 100  12.84 +/- 1.45   0.007% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  13.97 +/- 0.59   0.003% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  15.92 +/- 0.75   0.001% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  20.15 +/- 1.91   0.000% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  17.22 +/- 1.20   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  26.63 +/- 1.11   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  21.63 +/- 1.15   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  29.28 +/- 1.28   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 0.04 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.976, support = 4.58, residual support = 73.2:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.95 +/- 0.31  54.897% * 96.0366% (1.00  10.0 10.00   4.71  75.53) =  96.904%  kept
        T HA    LYS+  38 - HG2   GLU- 100   3.37 +/- 1.33  45.103% *  3.7340% (0.22   1.0 10.00   0.35   0.02) =   3.096%  kept
          HA    VAL   83 - HG2   GLU- 100  20.70 +/- 0.89   0.001% *  0.0958% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  27.83 +/- 1.74   0.000% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  28.54 +/- 1.62   0.000% *  0.0395% (0.41   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 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 75.5:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.98 +/- 0.08  99.899% * 99.6840% (1.00  10.0 10.00   3.23  75.53) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.86 +/- 1.14   0.033% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  10.46 +/- 1.23   0.067% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.36 +/- 1.60   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  23.69 +/- 1.09   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  26.94 +/- 1.44   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 75.5:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.38 +/- 0.11  99.989% * 98.4783% (1.00  10.0 10.00   3.23  75.53) = 100.000%  kept
        T QB    GLU-  15 - HG2   GLU- 100  14.80 +/- 1.85   0.002% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   GLU- 100  12.85 +/- 1.18   0.005% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HG2   GLU- 100  17.41 +/- 1.17   0.001% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  14.67 +/- 1.30   0.002% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  21.30 +/- 1.72   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  20.94 +/- 1.88   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  21.95 +/- 0.90   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.59 +/- 1.09   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  32.07 +/- 2.14   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  27.14 +/- 1.90   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  20.41 +/- 2.47   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.995% * 99.5312% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101  10.76 +/- 1.63   0.003% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  13.60 +/- 2.85   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  18.97 +/- 2.69   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  20.86 +/- 0.99   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  22.30 +/- 1.08   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  21.23 +/- 3.21   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  29.49 +/- 2.05   0.000% *  0.0277% (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 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 = 159.1:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.37 +/- 0.10  98.136% * 99.0531% (1.00  10.0 10.00   6.31 159.14) =  99.999%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.77 +/- 0.46   1.769% *  0.0338% (0.34   1.0  1.00   0.02  22.38) =   0.001%
        T HB    VAL   41 - HA    LYS+ 102   8.14 +/- 1.23   0.089% *  0.4821% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  13.74 +/- 1.36   0.003% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  18.47 +/- 2.40   0.001% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.59 +/- 1.92   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  21.87 +/- 0.99   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  21.04 +/- 2.39   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  24.03 +/- 1.72   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  27.22 +/- 1.19   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 = 159.1:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.17 +/- 0.58  99.784% * 99.3298% (1.00  10.0 10.00   5.75 159.14) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102   9.94 +/- 1.51   0.164% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  15.12 +/- 1.23   0.014% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  17.31 +/- 3.09   0.006% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  17.31 +/- 2.90   0.006% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  19.64 +/- 3.03   0.003% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  16.77 +/- 1.39   0.007% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  20.07 +/- 1.34   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  19.68 +/- 2.09   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.27 +/- 1.34   0.004% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.15 +/- 1.28   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  20.80 +/- 1.86   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.21 +/- 1.62   0.002% *  0.0248% (0.25   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 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 5.03, residual support = 158.2:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.16 +/- 0.66  76.565% * 94.8396% (1.00  10.0 10.00   5.05 159.14) =  99.423%  kept
          QB    LEU   98 - HA    LYS+ 102   4.17 +/- 0.64  21.352% *  1.9630% (0.34   1.0  1.00   1.21   1.82) =   0.574%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.54 +/- 0.98   0.159% *  0.8971% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LYS+ 102   6.37 +/- 0.95   1.879% *  0.0264% (0.28   1.0  1.00   0.02   1.82) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 102  15.95 +/- 0.92   0.006% *  0.8971% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 102  13.03 +/- 0.93   0.022% *  0.0930% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  24.48 +/- 1.99   0.001% *  0.9296% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  16.68 +/- 1.70   0.004% *  0.0946% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  16.82 +/- 1.45   0.004% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  18.24 +/- 2.59   0.004% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.82 +/- 0.70   0.001% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.56 +/- 0.74   0.000% *  0.0940% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  24.66 +/- 2.59   0.001% *  0.0575% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  21.31 +/- 1.05   0.001% *  0.0146% (0.15   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 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.1:
    *   T QD    LYS+ 102 - HA    LYS+ 102   2.91 +/- 0.72  99.147% * 98.2489% (1.00 10.00   5.05 159.14) = 100.000%  kept
          QD    LYS+  99 - HA    LYS+ 102   8.15 +/- 0.68   0.518% *  0.0219% (0.22  1.00   0.02   1.51) =   0.000%
          QD    LYS+  38 - HA    LYS+ 102  11.04 +/- 1.48   0.141% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102   9.99 +/- 1.36   0.147% *  0.0245% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  14.72 +/- 1.54   0.024% *  0.0517% (0.53  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  23.20 +/- 1.89   0.001% *  0.5562% (0.57 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  17.23 +/- 2.44   0.007% *  0.0636% (0.65  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  23.56 +/- 1.26   0.001% *  0.6749% (0.69 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  20.40 +/- 2.21   0.004% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  16.96 +/- 1.64   0.007% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.29 +/- 0.80   0.001% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  22.29 +/- 1.27   0.001% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 159.1:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.13 +/- 0.42  99.695% * 98.4155% (1.00 10.00   5.05 159.14) =  99.998%  kept
        T QE    LYS+  99 - HA    LYS+ 102   9.10 +/- 0.63   0.245% *  0.6760% (0.69 10.00   0.02   1.51) =   0.002%
        T QE    LYS+  38 - HA    LYS+ 102  12.05 +/- 1.55   0.060% *  0.9085% (0.92 10.00   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.1:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.37 +/- 0.10  99.903% * 99.1785% (1.00  10.0 10.00   6.31 159.14) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41   8.14 +/- 1.23   0.091% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  14.34 +/- 1.34   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  20.63 +/- 1.15   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.03 +/- 1.21   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  14.83 +/- 1.16   0.002% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  20.05 +/- 0.95   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  21.07 +/- 1.28   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  25.57 +/- 1.94   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  22.78 +/- 1.68   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  28.55 +/- 0.99   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  25.91 +/- 0.70   0.000% *  0.0288% (0.29   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 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 = 159.1:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.34 +/- 0.14  94.212% * 96.6607% (1.00  10.0 10.00   5.31 159.14) =  99.996%  kept
          HG    LEU   40 - QB    LYS+ 102   9.08 +/- 2.06   4.107% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   40 - HB    VAL   41   5.67 +/- 0.91   0.921% *  0.0348% (0.36   1.0  1.00   0.02  19.83) =   0.000%
          HG    LEU   73 - HB    VAL   41   7.40 +/- 1.42   0.691% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  10.07 +/- 1.27   0.022% *  0.4343% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  15.58 +/- 3.04   0.003% *  0.6640% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  12.46 +/- 1.14   0.005% *  0.2983% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  17.57 +/- 2.88   0.001% *  0.8385% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  15.67 +/- 1.21   0.001% *  0.3767% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  15.65 +/- 3.25   0.006% *  0.0664% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  11.98 +/- 1.39   0.007% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  14.69 +/- 1.61   0.002% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  13.06 +/- 2.06   0.012% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  14.61 +/- 1.13   0.002% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  18.18 +/- 1.36   0.000% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  14.93 +/- 0.75   0.001% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  14.46 +/- 1.47   0.002% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  17.32 +/- 1.24   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.51 +/- 1.53   0.000% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.59 +/- 1.44   0.001% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  15.61 +/- 1.31   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  19.14 +/- 1.49   0.000% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.19 +/- 1.50   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.47 +/- 1.20   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  19.59 +/- 2.17   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  18.25 +/- 1.88   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.84, support = 4.53, residual support = 134.5:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.36 +/- 0.18  32.843% * 81.1240% (1.00  10.0 10.00   4.75 159.14) =  81.082%  kept
        T QB    LEU   98 - HB    VAL   41   2.55 +/- 1.12  49.970% * 12.4339% (0.15   1.0 10.00   3.60  28.75) =  18.908%  kept
          HG    LEU   98 - HB    VAL   41   3.80 +/- 1.51  12.548% *  0.0101% (0.12   1.0  1.00   0.02  28.75) =   0.004%
          QB    LEU   98 - QB    LYS+ 102   4.99 +/- 0.97   4.144% *  0.0277% (0.34   1.0  1.00   0.02   1.82) =   0.003%
        T HB    VAL   42 - HB    VAL   41   6.14 +/- 0.21   0.117% *  0.3573% (0.44   1.0 10.00   0.02  22.61) =   0.001%
        T HG3   LYS+ 106 - QB    LYS+ 102   8.79 +/- 0.94   0.014% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   7.05 +/- 1.27   0.221% *  0.0226% (0.28   1.0  1.00   0.02   1.82) =   0.000%
          HB3   LEU   73 - HB    VAL   41   9.30 +/- 1.70   0.113% *  0.0364% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   9.97 +/- 0.91   0.011% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  12.41 +/- 1.59   0.003% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  10.22 +/- 1.28   0.005% *  0.3645% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  10.40 +/- 1.23   0.005% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  15.28 +/- 1.33   0.001% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  18.15 +/- 1.09   0.000% *  0.3573% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  22.31 +/- 2.26   0.000% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  16.17 +/- 1.90   0.001% *  0.0809% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.91 +/- 0.85   0.000% *  0.8041% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  23.19 +/- 1.18   0.000% *  0.3613% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  14.17 +/- 0.94   0.001% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  16.17 +/- 1.16   0.000% *  0.0304% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  14.24 +/- 1.27   0.002% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  15.75 +/- 2.03   0.000% *  0.0161% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  19.13 +/- 2.41   0.000% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.25 +/- 0.96   0.000% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  17.25 +/- 0.99   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  22.60 +/- 2.87   0.000% *  0.0492% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  17.08 +/- 2.59   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  20.22 +/- 1.42   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.1:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.32 +/- 0.34  98.835% * 94.6216% (1.00  10.0 10.00   4.75 159.14) =  99.999%  kept
        T QD    LYS+  38 - QB    LYS+ 102   9.62 +/- 1.90   0.071% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB    VAL   41   9.48 +/- 1.27   0.043% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QB    LYS+ 102   6.67 +/- 1.29   0.647% *  0.0211% (0.22   1.0  1.00   0.02   1.51) =   0.000%
        T QD    LYS+  38 - HB    VAL   41  10.61 +/- 0.81   0.019% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41   9.42 +/- 1.79   0.140% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   9.12 +/- 1.30   0.082% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   7.58 +/- 0.89   0.130% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  20.53 +/- 1.06   0.000% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  12.81 +/- 1.35   0.004% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  18.46 +/- 1.99   0.001% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  21.05 +/- 1.43   0.000% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  17.55 +/- 0.85   0.001% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.22 +/- 1.33   0.016% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  19.22 +/- 0.73   0.000% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  21.04 +/- 2.17   0.000% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  13.20 +/- 1.37   0.004% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  13.69 +/- 1.46   0.003% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  16.96 +/- 1.85   0.001% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  17.78 +/- 1.74   0.001% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  22.84 +/- 1.01   0.000% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  16.40 +/- 1.73   0.001% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.61 +/- 1.30   0.000% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  19.64 +/- 0.78   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 0.04 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.1:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.62 +/- 0.53  99.084% * 97.2926% (1.00 10.00   4.75 159.14) =  99.995%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.76 +/- 1.37   0.375% *  0.6683% (0.69 10.00   0.02   1.51) =   0.003%
        T QE    LYS+  99 - HB    VAL   41   7.37 +/- 0.60   0.362% *  0.3003% (0.31 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HB    VAL   41   9.48 +/- 1.11   0.112% *  0.4372% (0.45 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - QB    LYS+ 102  10.63 +/- 1.97   0.048% *  0.8981% (0.92 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HB    VAL   41  11.84 +/- 0.75   0.019% *  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 = 159.1:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.17 +/- 0.58  99.997% * 99.7392% (1.00  10.0 10.00   5.75 159.14) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  23.47 +/- 1.36   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.16 +/- 1.96   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  24.10 +/- 1.57   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  29.38 +/- 2.15   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  32.68 +/- 1.41   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.1:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.34 +/- 0.14  99.668% * 98.4503% (1.00  10.0 10.00   5.31 159.14) = 100.000%  kept
        T HB    VAL   41 - HG2   LYS+ 102  10.07 +/- 1.27   0.024% *  0.4792% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+ 102   7.06 +/- 1.06   0.302% *  0.0336% (0.34   1.0  1.00   0.02  22.38) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  19.13 +/- 3.24   0.003% *  0.6763% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  15.15 +/- 2.20   0.003% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.51 +/- 2.90   0.000% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.37 +/- 1.66   0.000% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  21.41 +/- 3.05   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  25.35 +/- 2.88   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  28.75 +/- 1.62   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 = 159.1:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.900% * 96.7067% (1.00  10.0 10.00   4.42 159.14) = 100.000%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  10.84 +/- 1.63   0.003% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 102   6.24 +/- 0.99   0.080% *  0.0330% (0.34   1.0  1.00   0.02   1.82) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.56 +/- 1.31   0.016% *  0.0269% (0.28   1.0  1.00   0.02   1.82) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  17.24 +/- 1.72   0.000% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.57 +/- 1.85   0.001% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.67 +/- 3.08   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  18.62 +/- 2.01   0.000% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  18.55 +/- 1.27   0.000% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  18.10 +/- 2.71   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  25.51 +/- 3.32   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.41 +/- 1.47   0.000% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  26.53 +/- 1.93   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  23.20 +/- 1.75   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 = 159.1:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.23 +/- 0.11  99.818% * 98.2489% (1.00  10.0 10.00   4.42 159.14) = 100.000%  kept
          QD    LYS+  99 - HG2   LYS+ 102   8.29 +/- 1.72   0.146% *  0.0219% (0.22   1.0  1.00   0.02   1.51) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 102  10.88 +/- 2.20   0.015% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  11.05 +/- 1.81   0.017% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  15.17 +/- 2.27   0.002% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  24.19 +/- 2.90   0.000% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  24.48 +/- 2.27   0.000% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  20.62 +/- 2.74   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  19.42 +/- 2.15   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  18.84 +/- 1.97   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  23.84 +/- 1.58   0.000% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.92 +/- 1.84   0.000% *  0.0556% (0.57   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 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.1:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.12 +/- 0.37  99.588% * 98.4155% (1.00  10.0 10.00   4.42 159.14) =  99.997%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   9.43 +/- 1.65   0.333% *  0.6760% (0.69   1.0 10.00   0.02   1.51) =   0.002%
        T QE    LYS+  38 - HG2   LYS+ 102  11.81 +/- 2.47   0.079% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 4.65 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 = 159.1:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.16 +/- 0.66  99.559% * 97.9004% (1.00  10.0 10.00   5.05 159.14) =  99.999%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.54 +/- 0.98   0.254% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  15.95 +/- 0.92   0.010% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  12.91 +/- 1.31   0.038% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  24.48 +/- 1.99   0.001% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  13.48 +/- 1.34   0.035% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  11.92 +/- 0.49   0.060% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  17.16 +/- 1.42   0.008% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  14.67 +/- 1.06   0.016% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  19.27 +/- 2.04   0.004% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.07 +/- 1.64   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  23.53 +/- 1.66   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  22.80 +/- 1.52   0.001% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  23.35 +/- 1.61   0.001% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.92 +/- 0.63   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  20.74 +/- 1.67   0.002% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  24.18 +/- 1.84   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  29.35 +/- 2.14   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  24.38 +/- 0.77   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  20.20 +/- 0.70   0.002% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  27.60 +/- 2.08   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  32.64 +/- 1.45   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.63 +/- 0.79   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  29.99 +/- 1.16   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.905, support = 5.13, residual support = 160.8:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.36 +/- 0.18  45.887% * 54.4770% (1.00  10.0 10.00   4.75 159.14) =  53.033%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.32 +/- 0.15  50.944% * 43.4551% (0.80  10.0  1.00   5.56 162.70) =  46.966%  kept
          HB3   GLN   17 - HG3   LYS+  65   7.11 +/- 2.20   2.557% *  0.0216% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG3   LYS+  65   6.45 +/- 0.41   0.129% *  0.0305% (0.56   1.0  1.00   0.02  25.18) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  10.22 +/- 1.28   0.010% *  0.2652% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   8.79 +/- 0.94   0.023% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  33   7.43 +/- 1.52   0.077% *  0.0261% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   7.09 +/- 0.77   0.084% *  0.0186% (0.34   1.0  1.00   0.02  22.38) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   9.97 +/- 0.91   0.010% *  0.1317% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.07 +/- 1.34   0.258% *  0.0034% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  10.40 +/- 1.23   0.008% *  0.0483% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  15.28 +/- 1.33   0.001% *  0.2706% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  13.70 +/- 1.34   0.002% *  0.0428% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  15.35 +/- 2.38   0.001% *  0.0526% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  18.15 +/- 1.09   0.000% *  0.2158% (0.40   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  22.31 +/- 2.26   0.000% *  0.4433% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  19.34 +/- 3.20   0.001% *  0.0374% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.43 +/- 1.00   0.002% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.27 +/- 1.74   0.002% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  14.82 +/- 1.63   0.001% *  0.0132% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  18.64 +/- 1.70   0.000% *  0.0409% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.67 +/- 2.94   0.000% *  0.0534% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  14.89 +/- 1.11   0.001% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  17.87 +/- 1.46   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  17.48 +/- 1.38   0.000% *  0.0186% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  15.43 +/- 1.75   0.001% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.18 +/- 1.32   0.001% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.34 +/- 1.38   0.000% *  0.0503% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  18.51 +/- 0.98   0.000% *  0.0097% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  25.54 +/- 3.01   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  21.93 +/- 1.97   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  21.62 +/- 3.03   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  21.23 +/- 1.90   0.000% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  26.33 +/- 0.98   0.000% *  0.0250% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.65 +/- 1.00   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  23.97 +/- 2.85   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.76 +/- 0.70   0.000% *  0.0048% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.08 +/- 1.07   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.69 +/- 1.40   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.37 +/- 1.30   0.000% *  0.0042% (0.08   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 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.1:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  96.766% * 96.9231% (1.00  10.0 10.00   4.42 159.14) =  99.998%  kept
          QB    ALA   61 - HG3   LYS+  65   4.23 +/- 1.36   2.631% *  0.0415% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HG3   LYS+ 102  11.19 +/- 2.45   0.481% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  65   6.54 +/- 1.10   0.071% *  0.0684% (0.71   1.0  1.00   0.02  25.18) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  18.36 +/- 4.12   0.011% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  10.84 +/- 1.63   0.003% *  0.1766% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   9.02 +/- 0.82   0.006% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   9.57 +/- 1.03   0.005% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   9.23 +/- 0.81   0.005% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  18.29 +/- 3.80   0.002% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  17.24 +/- 1.72   0.000% *  0.4815% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33  10.23 +/- 1.53   0.004% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  20.50 +/- 3.73   0.001% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.11 +/- 1.23   0.001% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  13.89 +/- 1.54   0.001% *  0.0773% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  10.77 +/- 0.88   0.002% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  12.00 +/- 1.62   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  15.54 +/- 1.94   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  17.08 +/- 2.04   0.000% *  0.0950% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.86 +/- 1.04   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  15.43 +/- 1.20   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.67 +/- 3.08   0.000% *  0.7888% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.34 +/- 1.41   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  13.40 +/- 1.09   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.14 +/- 1.91   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  12.00 +/- 1.23   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  15.20 +/- 1.45   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.81 +/- 0.81   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  11.97 +/- 0.52   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  17.20 +/- 1.87   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  17.34 +/- 2.30   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.12 +/- 1.43   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.30 +/- 2.17   0.000% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  17.09 +/- 0.91   0.000% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  18.77 +/- 1.40   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  16.09 +/- 2.57   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  16.36 +/- 1.96   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  21.44 +/- 2.23   0.000% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  16.28 +/- 2.16   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  16.70 +/- 1.27   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  16.25 +/- 0.51   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.36 +/- 1.68   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  21.82 +/- 2.23   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  22.55 +/- 2.82   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  21.93 +/- 1.42   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  22.44 +/- 2.31   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  18.25 +/- 1.25   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  24.80 +/- 1.59   0.000% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  21.31 +/- 1.84   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.93 +/- 1.22   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  20.72 +/- 1.28   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  25.45 +/- 1.95   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 = 0.787, support = 4.12, residual support = 159.7:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.45 +/- 0.12  30.916% * 63.6907% (1.00  10.0 10.00   4.00 159.14) =  62.888%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.39 +/- 0.13  36.388% * 29.3443% (0.46  10.0 10.00   4.29 162.70) =  34.103%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.44 +/- 0.16  32.557% *  2.8935% (0.05  10.0  1.00   4.63 136.15) =   3.009%  kept
        T QD    LYS+ 102 - HG3   LYS+ 106   9.58 +/- 1.28   0.013% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   8.57 +/- 1.61   0.074% *  0.0142% (0.22   1.0  1.00   0.02   1.51) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  10.54 +/- 0.79   0.005% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102  11.16 +/- 2.19   0.007% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  13.97 +/- 1.66   0.001% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.38 +/- 1.20   0.007% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  16.08 +/- 1.80   0.001% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  11.02 +/- 1.48   0.005% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  14.40 +/- 1.04   0.001% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106   9.58 +/- 0.58   0.010% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  18.94 +/- 2.30   0.000% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  14.66 +/- 1.58   0.001% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  18.22 +/- 1.60   0.000% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  23.75 +/- 2.73   0.000% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  15.37 +/- 2.18   0.001% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  16.04 +/- 1.30   0.000% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.34 +/- 2.95   0.000% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.96 +/- 1.69   0.000% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  12.79 +/- 1.45   0.002% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  24.44 +/- 2.05   0.000% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.68 +/- 0.54   0.005% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.24 +/- 1.63   0.000% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  13.89 +/- 0.87   0.001% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  18.52 +/- 1.68   0.000% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  19.33 +/- 2.43   0.000% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  20.88 +/- 2.73   0.000% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  14.10 +/- 1.08   0.001% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  20.32 +/- 0.84   0.000% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  17.26 +/- 1.49   0.000% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  15.70 +/- 1.47   0.001% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  16.21 +/- 0.72   0.000% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  21.16 +/- 1.35   0.000% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  17.02 +/- 1.20   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  17.66 +/- 1.49   0.000% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  21.23 +/- 1.47   0.000% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  23.81 +/- 1.20   0.000% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  31.36 +/- 0.97   0.000% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  24.16 +/- 3.05   0.000% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  23.12 +/- 1.05   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.82 +/- 1.52   0.000% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  21.39 +/- 1.55   0.000% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  20.04 +/- 1.11   0.000% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.82 +/- 1.00   0.000% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  26.47 +/- 1.00   0.000% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  27.01 +/- 0.80   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 = 159.1:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.29 +/- 0.27  99.814% * 94.7812% (1.00  10.0 10.00   4.00 159.14) =  99.999%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.72 +/- 1.57   0.030% *  0.6511% (0.69   1.0 10.00   0.02   1.51) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.43 +/- 1.59   0.097% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 102  12.10 +/- 2.44   0.012% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  10.57 +/- 1.23   0.018% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  11.75 +/- 1.47   0.009% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  11.31 +/- 0.98   0.016% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  16.16 +/- 1.44   0.002% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  16.45 +/- 1.57   0.001% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  23.60 +/- 2.33   0.000% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  22.38 +/- 1.69   0.000% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  18.43 +/- 1.12   0.001% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 159.1:
    *   T HA    LYS+ 102 - QD    LYS+ 102   2.91 +/- 0.72  94.963% * 99.0980% (1.00 10.00   5.05 159.14) =  99.999%  kept
          HA1   GLY  109 - HD2   LYS+ 111   6.17 +/- 1.24   4.981% *  0.0126% (0.13  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - QD    LYS+  65  23.20 +/- 1.89   0.001% *  0.2505% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  23.56 +/- 1.26   0.001% *  0.2591% (0.26 10.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  12.97 +/- 1.25   0.029% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  16.29 +/- 1.27   0.007% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  21.15 +/- 1.51   0.001% *  0.0828% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.48 +/- 1.59   0.002% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  17.00 +/- 1.46   0.005% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  18.16 +/- 1.84   0.004% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.82 +/- 1.67   0.001% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  20.77 +/- 1.72   0.001% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  21.16 +/- 1.41   0.001% *  0.0162% (0.16  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  26.14 +/- 2.21   0.000% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  22.14 +/- 1.44   0.001% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  28.99 +/- 1.46   0.000% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  27.76 +/- 1.04   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  25.28 +/- 1.25   0.000% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (1.81, 1.68, 29.29 ppm):
    30 chemical-shift based assignments, quality = 0.806, support = 4.82, residual support = 160.1:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.32 +/- 0.34  41.287% * 77.3438% (1.00  10.0 10.00   4.75 159.14) =  74.215%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.14 +/- 0.11  57.898% * 19.1619% (0.25  10.0 10.00   5.04 162.70) =  25.785%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.16 +/- 0.94   0.230% *  0.0264% (0.34   1.0  1.00   0.02  22.38) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   8.66 +/- 1.53   0.031% *  0.1867% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102   9.48 +/- 1.27   0.012% *  0.3765% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   6.58 +/- 1.64   0.452% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.45 +/- 0.34   0.080% *  0.0134% (0.17   1.0  1.00   0.02  25.18) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.27 +/- 2.13   0.002% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.88 +/- 2.52   0.000% *  0.7581% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  20.79 +/- 1.48   0.000% *  0.7140% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  12.45 +/- 1.37   0.002% *  0.0302% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.87 +/- 1.50   0.000% *  0.1805% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.95 +/- 2.73   0.001% *  0.0531% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.44 +/- 1.01   0.001% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.55 +/- 0.85   0.000% *  0.0952% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  21.04 +/- 2.17   0.000% *  0.1955% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.94 +/- 1.24   0.000% *  0.1982% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.05 +/- 1.43   0.000% *  0.2022% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  20.10 +/- 2.41   0.000% *  0.1193% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  11.95 +/- 1.33   0.003% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.57 +/- 1.33   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.84 +/- 1.01   0.000% *  0.0984% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.40 +/- 2.73   0.000% *  0.0376% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.88 +/- 1.16   0.000% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.82 +/- 1.14   0.000% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.03 +/- 1.69   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.82 +/- 1.50   0.000% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  19.96 +/- 1.46   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.53 +/- 1.70   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.46 +/- 1.20   0.000% *  0.0098% (0.13   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 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.1:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.23 +/- 0.11  91.718% * 98.4875% (1.00  10.0 10.00   4.42 159.14) =  99.996%  kept
          HG    LEU   40 - QD    LYS+ 102  10.73 +/- 2.29   3.623% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   61 - QD    LYS+  65   4.52 +/- 0.95   3.367% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+  65   6.19 +/- 1.00   0.331% *  0.0216% (0.22   1.0  1.00   0.02  25.18) =   0.000%
          QB    ALA  110 - HD2   LYS+ 111   5.71 +/- 0.94   0.743% *  0.0079% (0.08   1.0  1.00   0.02   9.13) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  17.23 +/- 3.62   0.026% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.06 +/- 0.88   0.057% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.98 +/- 0.92   0.028% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   9.47 +/- 1.22   0.023% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   8.55 +/- 1.26   0.054% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  17.25 +/- 3.30   0.004% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  18.99 +/- 3.19   0.001% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  15.60 +/- 1.72   0.001% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  13.70 +/- 1.02   0.002% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  11.49 +/- 1.34   0.006% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  11.77 +/- 0.72   0.005% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  24.19 +/- 2.90   0.000% *  0.2489% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  15.06 +/- 1.39   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  15.04 +/- 0.93   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  15.85 +/- 1.51   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.23 +/- 1.64   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  24.48 +/- 2.27   0.000% *  0.2575% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  12.63 +/- 0.76   0.003% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  19.55 +/- 1.84   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.09 +/- 1.73   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  19.26 +/- 1.88   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  17.91 +/- 1.43   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  16.49 +/- 1.42   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  14.66 +/- 1.18   0.001% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  20.59 +/- 2.41   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  16.46 +/- 2.07   0.001% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.30 +/- 1.80   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  21.70 +/- 1.29   0.000% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  22.40 +/- 2.06   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  23.67 +/- 1.08   0.000% *  0.0252% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.83 +/- 1.60   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  20.81 +/- 1.10   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  25.20 +/- 1.38   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  27.84 +/- 1.54   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 = 0.834, support = 4.06, residual support = 159.9:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.45 +/- 0.12  46.295% * 76.0877% (1.00  10.0 10.00   4.00 159.14) =  77.906%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.39 +/- 0.13  52.993% * 18.8507% (0.25  10.0 10.00   4.29 162.70) =  22.093%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.58 +/- 1.28   0.019% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+ 102   5.94 +/- 1.01   0.375% *  0.0260% (0.34   1.0  1.00   0.02   1.82) =   0.000%
          HB2   LYS+ 112 - HD2   LYS+ 111   6.52 +/- 1.06   0.193% *  0.0197% (0.26   1.0  1.00   0.02  27.98) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   7.91 +/- 1.34   0.085% *  0.0212% (0.28   1.0  1.00   0.02   1.82) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.11 +/- 1.33   0.016% *  0.0818% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  16.08 +/- 1.80   0.001% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  16.95 +/- 1.87   0.001% *  0.7592% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  13.69 +/- 1.78   0.004% *  0.0746% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  14.40 +/- 1.04   0.001% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  23.75 +/- 2.73   0.000% *  0.7458% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  18.22 +/- 1.60   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.40 +/- 0.72   0.003% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  14.01 +/- 1.00   0.001% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  20.32 +/- 0.84   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  13.63 +/- 1.39   0.002% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.10 +/- 1.64   0.001% *  0.0286% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.34 +/- 2.95   0.000% *  0.1923% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.96 +/- 1.69   0.000% *  0.1950% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  23.34 +/- 1.24   0.000% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  24.44 +/- 2.05   0.000% *  0.1989% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  17.56 +/- 2.00   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  17.13 +/- 2.26   0.001% *  0.0151% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.27 +/- 1.15   0.002% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  12.66 +/- 1.02   0.003% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.01 +/- 1.29   0.000% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  16.23 +/- 1.23   0.001% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  23.50 +/- 3.15   0.000% *  0.0461% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  23.95 +/- 1.37   0.000% *  0.0754% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.34 +/- 1.13   0.000% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  17.31 +/- 1.12   0.000% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  20.99 +/- 1.18   0.000% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  31.36 +/- 0.97   0.000% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  20.98 +/- 1.69   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.82 +/- 1.58   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.48 +/- 0.89   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.69 +/- 0.93   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.09 +/- 1.05   0.000% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.72 +/- 1.46   0.000% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.53 +/- 1.26   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  32.52 +/- 1.47   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 = 159.1:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.12 +/- 0.02  99.965% * 97.1326% (1.00  10.0 10.00   4.00 159.14) = 100.000%  kept
        T QE    LYS+  38 - QD    LYS+ 102  11.44 +/- 2.51   0.016% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 102   9.50 +/- 1.29   0.018% *  0.6672% (0.69   1.0 10.00   0.02   1.51) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  15.66 +/- 1.34   0.001% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  22.22 +/- 2.28   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  20.75 +/- 1.41   0.000% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  21.61 +/- 1.84   0.000% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.60 +/- 1.34   0.000% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  29.89 +/- 1.23   0.000% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 159.1:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.13 +/- 0.42  99.677% * 98.6090% (1.00 10.00   5.05 159.14) =  99.998%  kept
        T HA    LYS+ 102 - QE    LYS+  99   9.10 +/- 0.63   0.245% *  0.6725% (0.68 10.00   0.02   1.51) =   0.002%
        T HA    LYS+ 102 - QE    LYS+  38  12.05 +/- 1.55   0.060% *  0.2257% (0.23 10.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.29 +/- 1.92   0.004% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  18.52 +/- 0.74   0.003% *  0.0562% (0.57  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  21.02 +/- 1.44   0.001% *  0.0824% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.72 +/- 1.19   0.002% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  18.17 +/- 0.72   0.003% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  21.22 +/- 0.43   0.001% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  21.68 +/- 1.45   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.87 +/- 2.23   0.000% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  24.85 +/- 1.88   0.001% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  28.74 +/- 1.61   0.000% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  28.16 +/- 0.63   0.000% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  22.15 +/- 0.59   0.001% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  28.34 +/- 1.02   0.000% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  31.49 +/- 1.79   0.000% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  34.29 +/- 0.59   0.000% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.997, support = 4.73, residual support = 158.7:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.62 +/- 0.53  94.644% * 91.3368% (1.00 10.00   4.75 159.14) =  99.693%  kept
          HG12  ILE  103 - QE    LYS+ 102   5.92 +/- 0.96   4.242% *  6.1939% (0.34  1.00   3.98  22.38) =   0.303%
        T QB    LYS+ 102 - QE    LYS+  99   7.76 +/- 1.37   0.354% *  0.6229% (0.68 10.00   0.02   1.51) =   0.003%
        T HB    VAL   41 - QE    LYS+  99   7.37 +/- 0.60   0.307% *  0.3032% (0.33 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QE    LYS+ 102   9.48 +/- 1.11   0.087% *  0.4446% (0.49 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QE    LYS+  38  10.63 +/- 1.97   0.046% *  0.2091% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  99   8.60 +/- 1.25   0.156% *  0.0601% (0.66  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  11.84 +/- 0.75   0.017% *  0.1018% (0.11 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  14.26 +/- 1.73   0.015% *  0.0881% (0.97  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  11.18 +/- 1.47   0.024% *  0.0428% (0.47  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.90 +/- 0.56   0.043% *  0.0212% (0.23  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  17.86 +/- 2.65   0.009% *  0.0627% (0.69  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  14.20 +/- 1.27   0.005% *  0.0611% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  12.43 +/- 0.73   0.015% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  20.74 +/- 2.30   0.002% *  0.0895% (0.98  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  13.51 +/- 2.81   0.019% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.45 +/- 1.31   0.002% *  0.0303% (0.33  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  20.56 +/- 1.64   0.001% *  0.0843% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  23.31 +/- 2.21   0.001% *  0.0445% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.13 +/- 1.05   0.001% *  0.0575% (0.63  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.80 +/- 1.13   0.004% *  0.0071% (0.08  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  17.59 +/- 0.98   0.002% *  0.0144% (0.16  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  19.94 +/- 2.26   0.002% *  0.0141% (0.15  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  19.76 +/- 1.22   0.001% *  0.0205% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  20.38 +/- 1.77   0.001% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  21.50 +/- 3.04   0.001% *  0.0032% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.25 +/- 1.90   0.000% *  0.0141% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  27.80 +/- 0.95   0.000% *  0.0193% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  24.92 +/- 1.21   0.000% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  32.41 +/- 0.93   0.000% *  0.0032% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.992, support = 4.36, residual support = 156.6:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.12 +/- 0.37  65.178% * 94.7180% (1.00  10.0 10.00   4.42 159.14) =  98.263%  kept
          HG    LEU   40 - QE    LYS+  99   4.00 +/- 1.37  33.515% *  3.2498% (0.55   1.0  1.00   1.26  12.23) =   1.734%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   9.43 +/- 1.65   0.249% *  0.6460% (0.68   1.0 10.00   0.02   1.51) =   0.003%
          HB3   LEU   67 - QE    LYS+  99   9.04 +/- 2.35   0.353% *  0.0444% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  99   9.04 +/- 2.30   0.323% *  0.0444% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QE    LYS+  38  11.81 +/- 2.47   0.046% *  0.2168% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  10.80 +/- 1.93   0.106% *  0.0758% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  12.30 +/- 1.66   0.036% *  0.0560% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  99  11.74 +/- 0.80   0.027% *  0.0633% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  11.68 +/- 2.07   0.056% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  17.14 +/- 3.51   0.011% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  11.47 +/- 0.62   0.026% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  15.53 +/- 1.47   0.005% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  17.16 +/- 3.21   0.005% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  14.78 +/- 0.98   0.007% *  0.0340% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  18.84 +/- 3.24   0.003% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  16.79 +/- 1.92   0.004% *  0.0517% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  15.06 +/- 1.56   0.007% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  15.78 +/- 1.28   0.005% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  19.09 +/- 1.56   0.001% *  0.0758% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  15.79 +/- 0.61   0.004% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  15.35 +/- 1.61   0.006% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  15.68 +/- 1.52   0.005% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  17.43 +/- 2.22   0.004% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  19.06 +/- 2.49   0.002% *  0.0323% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  19.39 +/- 1.53   0.001% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  17.96 +/- 1.72   0.002% *  0.0292% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.94 +/- 1.65   0.002% *  0.0199% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  18.67 +/- 1.36   0.002% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.12 +/- 1.74   0.001% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  19.75 +/- 0.87   0.001% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  20.54 +/- 2.10   0.001% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  18.74 +/- 2.13   0.002% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  20.24 +/- 0.88   0.001% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  17.94 +/- 1.37   0.002% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  25.02 +/- 1.77   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  23.04 +/- 0.73   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  24.41 +/- 1.41   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  25.76 +/- 2.03   0.000% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.1:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.29 +/- 0.27  98.480% * 93.0940% (1.00  10.0 10.00   4.00 159.14) =  99.998%  kept
        T HG3   LYS+ 106 - QE    LYS+ 102   9.43 +/- 1.59   0.092% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QE    LYS+ 102   5.99 +/- 0.71   0.657% *  0.0318% (0.34   1.0  1.00   0.02   1.82) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  99   9.72 +/- 1.57   0.030% *  0.6349% (0.68   1.0 10.00   0.02   1.51) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  11.31 +/- 0.98   0.015% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   7.86 +/- 1.24   0.206% *  0.0259% (0.28   1.0  1.00   0.02   1.82) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.63 +/- 0.41   0.236% *  0.0217% (0.23   1.0  1.00   0.02  17.04) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  11.75 +/- 1.47   0.008% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  10.57 +/- 1.23   0.018% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.42 +/- 0.90   0.051% *  0.0622% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  12.10 +/- 2.44   0.012% *  0.2131% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  16.16 +/- 1.44   0.002% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  10.99 +/- 3.32   0.095% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  99   8.58 +/- 0.72   0.049% *  0.0177% (0.19   1.0  1.00   0.02  17.04) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  13.65 +/- 1.27   0.009% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  16.45 +/- 1.57   0.001% *  0.6223% (0.67   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  23.60 +/- 2.33   0.000% *  0.9125% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  13.79 +/- 1.04   0.003% *  0.0633% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  16.85 +/- 1.87   0.001% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.61 +/- 0.83   0.015% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  18.43 +/- 1.12   0.000% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  14.44 +/- 0.51   0.002% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  15.88 +/- 2.20   0.001% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  22.38 +/- 1.69   0.000% *  0.2089% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  17.09 +/- 2.18   0.002% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  23.50 +/- 3.20   0.001% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  17.54 +/- 2.19   0.001% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  13.52 +/- 1.37   0.004% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  16.87 +/- 2.53   0.002% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  18.01 +/- 1.00   0.001% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  19.78 +/- 1.35   0.000% *  0.0383% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  16.59 +/- 4.02   0.003% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  17.92 +/- 0.82   0.001% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  23.78 +/- 1.44   0.000% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.73 +/- 0.98   0.000% *  0.0261% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.54 +/- 1.80   0.000% *  0.0629% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  17.66 +/- 0.78   0.001% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  20.83 +/- 1.50   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  21.90 +/- 0.62   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  29.96 +/- 1.67   0.000% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  26.31 +/- 0.91   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  22.51 +/- 0.82   0.000% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 168.9:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.12 +/- 0.02  32.386% * 72.2175% (1.00  10.0 10.00   4.00 159.14) =  74.177%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.11 +/- 0.02  32.812% * 13.2369% (0.18  10.0  1.00   3.74 218.54) =  13.775%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  34.643% * 10.9650% (0.15  10.0 10.00   4.00 171.80) =  12.048%  kept
          QD    LYS+  38 - QE    LYS+  99   6.52 +/- 1.35   0.084% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  99   9.50 +/- 1.29   0.006% *  0.4925% (0.68   1.0 10.00   0.02   1.51) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.64 +/- 1.36   0.015% *  0.1608% (0.22   1.0 10.00   0.02   1.51) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.44 +/- 1.75   0.011% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  11.44 +/- 2.51   0.005% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  10.85 +/- 2.23   0.012% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.31 +/- 1.20   0.014% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99   9.93 +/- 2.02   0.006% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.95 +/- 0.93   0.001% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  12.91 +/- 2.91   0.002% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  15.66 +/- 1.34   0.000% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  21.61 +/- 1.84   0.000% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  14.24 +/- 1.45   0.000% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  22.22 +/- 2.28   0.000% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  16.71 +/- 2.93   0.000% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.66 +/- 1.03   0.001% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.60 +/- 1.34   0.000% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  19.32 +/- 2.00   0.000% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.09 +/- 1.75   0.000% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  18.18 +/- 1.34   0.000% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  20.75 +/- 1.41   0.000% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  20.97 +/- 1.14   0.000% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  18.69 +/- 1.13   0.000% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.39 +/- 0.81   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  20.84 +/- 1.99   0.000% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  20.99 +/- 3.12   0.000% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.50 +/- 0.94   0.000% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  18.63 +/- 1.90   0.000% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.63 +/- 0.74   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  29.89 +/- 1.23   0.000% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  22.28 +/- 0.91   0.000% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  28.03 +/- 0.86   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  28.75 +/- 0.67   0.000% *  0.0094% (0.13   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 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 = 0.681, support = 5.79, residual support = 138.1:
    * O T HB    ILE  103 - HA    ILE  103   2.94 +/- 0.04  22.643% * 82.5223% (1.00  10.0 10.00   5.66 138.15) =  60.243%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.38 +/- 0.34  75.507% * 16.3310% (0.20  10.0 10.00   5.98 138.15) =  39.756%  kept
          QB    LYS+ 106 - HA    ILE  103   6.50 +/- 1.00   0.227% *  0.0661% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE  103   7.14 +/- 0.64   0.134% *  0.0818% (0.99   1.0  1.00   0.02   2.54) =   0.000%
          HB3   LYS+  38 - HA    THR   39   4.68 +/- 0.16   1.413% *  0.0068% (0.08   1.0  1.00   0.02  22.95) =   0.000%
          QB    LYS+  33 - HA    THR   39   8.24 +/- 0.61   0.052% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  15.01 +/- 0.76   0.002% *  0.2726% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  11.41 +/- 1.08   0.009% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  14.74 +/- 0.90   0.001% *  0.0781% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  13.43 +/- 0.79   0.003% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  14.40 +/- 1.18   0.002% *  0.0270% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  18.52 +/- 1.75   0.001% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  17.73 +/- 1.90   0.001% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.49 +/- 0.78   0.001% *  0.0218% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  19.31 +/- 1.82   0.000% *  0.0740% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  17.81 +/- 3.08   0.002% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  19.93 +/- 1.54   0.000% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.64 +/- 0.58   0.002% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  19.48 +/- 1.39   0.000% *  0.0310% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.45 +/- 1.28   0.000% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  23.48 +/- 1.19   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  24.79 +/- 0.48   0.000% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  23.67 +/- 1.20   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  27.35 +/- 0.88   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  28.56 +/- 1.81   0.000% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  29.56 +/- 1.18   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 = 0.926, support = 5.33, residual support = 138.1:
    * O T QG2   ILE  103 - HA    ILE  103   2.75 +/- 0.10  71.984% * 68.5552% (1.00  10.0 10.00   5.39 138.15) =  86.640%  kept
        T QD1   ILE  103 - HA    ILE  103   3.41 +/- 0.54  24.754% * 30.7355% (0.45   1.0 10.00   4.91 138.15) =  13.358%  kept
          QD2   LEU   40 - HA    ILE  103   5.55 +/- 0.43   1.276% *  0.0662% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    THR   39   5.69 +/- 0.23   0.965% *  0.0219% (0.32   1.0  1.00   0.02  23.66) =   0.000%
          QD2   LEU   71 - HA    THR   39   6.23 +/- 1.11   0.854% *  0.0128% (0.19   1.0  1.00   0.02   0.22) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.58 +/- 0.99   0.100% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  11.58 +/- 2.82   0.029% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.74 +/- 0.47   0.007% *  0.2265% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  13.02 +/- 0.69   0.006% *  0.1015% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.97 +/- 1.02   0.007% *  0.0388% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.02 +/- 1.39   0.007% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  15.26 +/- 1.53   0.003% *  0.0282% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.02 +/- 0.83   0.001% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  13.79 +/- 1.88   0.006% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.30 +/- 0.92   0.001% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  18.02 +/- 0.69   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 = 0.627, support = 5.12, residual support = 138.1:
    *   T QD1   ILE  103 - HA    ILE  103   3.41 +/- 0.54  24.755% * 78.2519% (0.92   1.0 10.00   4.91 138.15) =  56.006%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.75 +/- 0.10  71.987% * 21.1374% (0.25  10.0 10.00   5.39 138.15) =  43.993%  kept
          QD2   LEU   71 - HA    THR   39   6.23 +/- 1.11   0.854% *  0.0234% (0.28   1.0  1.00   0.02   0.22) =   0.001%
          QD2   LEU   40 - HA    ILE  103   5.55 +/- 0.43   1.276% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    THR   39   5.69 +/- 0.23   0.965% *  0.0043% (0.05   1.0  1.00   0.02  23.66) =   0.000%
        T QD1   ILE  103 - HA    THR   39  13.02 +/- 0.69   0.006% *  0.2585% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.02 +/- 1.39   0.007% *  0.0846% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.97 +/- 1.02   0.007% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.74 +/- 0.47   0.007% *  0.0698% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.58 +/- 0.99   0.100% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  11.58 +/- 2.82   0.029% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  13.79 +/- 1.88   0.006% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.02 +/- 0.83   0.001% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.30 +/- 0.92   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 = 138.1:
    * O T HA    ILE  103 - HB    ILE  103   2.94 +/- 0.04  99.959% * 98.6567% (1.00  10.0 10.00   5.66 138.15) = 100.000%  kept
        T HA    THR   39 - HB    ILE  103  15.01 +/- 0.76   0.006% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    ILE  103  13.20 +/- 0.91   0.014% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  16.37 +/- 2.11   0.004% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  13.73 +/- 2.42   0.014% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  19.89 +/- 1.14   0.001% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  23.75 +/- 1.41   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.21 +/- 1.84   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  27.03 +/- 1.45   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  32.48 +/- 3.55   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  26.71 +/- 2.16   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  31.23 +/- 2.84   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.853, support = 4.93, residual support = 138.1:
    * O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  55.267% * 68.8462% (1.00  10.0 10.00   5.01 138.15) =  73.432%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.24 +/- 0.27  44.601% * 30.8659% (0.45  10.0 10.00   4.72 138.15) =  26.568%  kept
          QD1   LEU   67 - HB    ILE  103  13.53 +/- 3.41   0.097% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  103   7.80 +/- 0.57   0.030% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  14.50 +/- 1.82   0.003% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.97 +/- 1.20   0.001% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  16.17 +/- 1.20   0.000% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.38 +/- 1.06   0.000% *  0.0675% (0.98   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 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.754, support = 4.79, residual support = 138.1:
    * O T QD1   ILE  103 - HB    ILE  103   2.24 +/- 0.27  44.602% * 78.5650% (0.92  10.0 10.00   4.72 138.15) =  74.922%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  55.268% * 21.2220% (0.25  10.0 10.00   5.01 138.15) =  25.078%  kept
          QD1   LEU   67 - HB    ILE  103  13.53 +/- 3.41   0.097% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  103   7.80 +/- 0.57   0.030% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  14.50 +/- 1.82   0.003% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.97 +/- 1.20   0.001% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.38 +/- 1.06   0.000% *  0.0290% (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 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 138.1:
    * O T HA    ILE  103 - QG2   ILE  103   2.75 +/- 0.10  99.906% * 98.6567% (1.00  10.0 10.00   5.39 138.15) = 100.000%  kept
        T HA    THR   39 - QG2   ILE  103  12.74 +/- 0.47   0.011% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   ILE  103   9.98 +/- 0.72   0.048% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  13.63 +/- 1.49   0.008% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  11.96 +/- 1.68   0.019% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  16.01 +/- 0.76   0.003% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.29 +/- 1.38   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  19.69 +/- 1.03   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  21.22 +/- 1.07   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  27.24 +/- 2.62   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  22.05 +/- 1.53   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  26.05 +/- 2.05   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 = 0.982, support = 5.02, residual support = 138.1:
    * O T HB    ILE  103 - QG2   ILE  103   2.13 +/- 0.01  83.649% * 82.9317% (1.00  10.0 10.00   5.01 138.15) =  97.700%  kept
      O T HG12  ILE  103 - QG2   ILE  103   3.09 +/- 0.21   9.924% * 16.4121% (0.20  10.0 10.00   5.31 138.15) =   2.294%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.88 +/- 0.93   5.000% *  0.0664% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ASP- 105 - QG2   ILE  103   5.14 +/- 0.66   1.421% *  0.0822% (0.99   1.0  1.00   0.02   2.54) =   0.002%
          QB    LYS+  33 - QG2   ILE  103  14.39 +/- 0.49   0.001% *  0.0785% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  14.83 +/- 1.47   0.001% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  14.70 +/- 1.50   0.001% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  16.72 +/- 1.66   0.000% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  16.36 +/- 1.15   0.000% *  0.0693% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.69 +/- 0.55   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  15.24 +/- 1.36   0.001% *  0.0311% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.42 +/- 1.01   0.000% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  18.14 +/- 1.09   0.000% *  0.0341% (0.41   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 = 4.91, residual support = 138.1:
    *   T HA    ILE  103 - QD1   ILE  103   3.41 +/- 0.54  99.006% * 98.6567% (0.92 10.00   4.91 138.15) =  99.999%  kept
          HA    ASP-  44 - QD1   ILE  103   9.91 +/- 1.14   0.294% *  0.0933% (0.87  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QD1   ILE  103  13.02 +/- 0.69   0.038% *  0.7164% (0.67 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103   9.66 +/- 2.67   0.498% *  0.0274% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  11.84 +/- 2.40   0.118% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  14.83 +/- 1.66   0.024% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  17.98 +/- 1.97   0.007% *  0.0790% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  16.93 +/- 1.34   0.009% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  21.35 +/- 1.70   0.003% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  26.90 +/- 2.58   0.001% *  0.0911% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  21.93 +/- 1.50   0.002% *  0.0220% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  25.78 +/- 2.04   0.001% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.781, support = 4.7, residual support = 138.1:
    * O T HB    ILE  103 - QD1   ILE  103   2.24 +/- 0.27  44.542% * 82.9317% (0.92  10.0 10.00   4.72 138.15) =  80.743%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.14 +/- 0.01  53.673% * 16.4121% (0.18  10.0 10.00   4.62 138.15) =  19.255%  kept
          QB    LYS+ 106 - QD1   ILE  103   4.85 +/- 1.35   1.697% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QD1   ILE  103   7.71 +/- 0.99   0.082% *  0.0822% (0.91   1.0  1.00   0.02   2.54) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  13.37 +/- 1.01   0.001% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  13.79 +/- 2.34   0.001% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  16.83 +/- 2.29   0.002% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  14.65 +/- 1.98   0.001% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  18.06 +/- 1.74   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.83 +/- 0.91   0.001% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  16.31 +/- 1.39   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.84 +/- 1.33   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  18.58 +/- 1.70   0.000% *  0.0341% (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 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 = 217.5:
    * O T HB2   LEU  104 - HA    LEU  104   2.99 +/- 0.08  99.901% * 99.7433% (0.87  10.0 10.00   5.98 217.53) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  10.35 +/- 0.51   0.063% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  12.49 +/- 1.41   0.025% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  14.69 +/- 1.97   0.010% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  20.49 +/- 0.97   0.001% *  0.0605% (0.52   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 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 217.5:
    * O T HB3   LEU  104 - HA    LEU  104   2.52 +/- 0.13  99.951% * 99.4463% (0.76  10.0 10.00   5.31 217.53) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104  10.77 +/- 0.99   0.025% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  12.46 +/- 1.25   0.009% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  13.36 +/- 1.41   0.007% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  14.12 +/- 1.62   0.006% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  16.79 +/- 1.25   0.001% *  0.1167% (0.89   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 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.86, residual support = 217.5:
    * O T HG    LEU  104 - HA    LEU  104   3.17 +/- 0.43  98.956% * 99.5259% (1.00  10.0 10.00   5.86 217.53) =  99.999%  kept
          HB3   LYS+ 121 - HA    LEU  104   8.24 +/- 1.27   0.641% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  104   8.84 +/- 1.21   0.379% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LEU  104  16.56 +/- 1.76   0.007% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  16.80 +/- 2.01   0.007% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  20.15 +/- 0.97   0.002% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  18.56 +/- 1.43   0.004% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  18.33 +/- 0.47   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.38 +/- 1.66   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 0.09 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 217.5:
    *   T QD1   LEU  104 - HA    LEU  104   3.50 +/- 0.54  99.647% * 98.8828% (0.96 10.00   5.31 217.53) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  11.31 +/- 1.63   0.209% *  0.4212% (0.41 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    LEU  104  13.65 +/- 0.91   0.039% *  0.4212% (0.41 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  12.98 +/- 1.20   0.060% *  0.0783% (0.76  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  15.68 +/- 0.71   0.016% *  0.0889% (0.87  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  14.90 +/- 0.59   0.022% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  18.12 +/- 1.04   0.007% *  0.0820% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.82, residual support = 217.5:
    *   T QD2   LEU  104 - HA    LEU  104   2.23 +/- 0.45  98.929% * 98.7440% (1.00 10.00   5.82 217.53) =  99.997%  kept
        T QD1   LEU   98 - HA    LEU  104   6.13 +/- 0.83   0.980% *  0.3048% (0.31 10.00   0.02   8.33) =   0.003%
        T QG1   VAL   41 - HA    LEU  104   8.56 +/- 0.88   0.055% *  0.1954% (0.20 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104   9.59 +/- 0.72   0.034% *  0.0337% (0.34  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  16.29 +/- 0.88   0.001% *  0.5590% (0.56 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  18.71 +/- 1.40   0.001% *  0.0953% (0.96  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  17.83 +/- 0.84   0.001% *  0.0678% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 217.5:
    * O T HA    LEU  104 - HB2   LEU  104   2.99 +/- 0.08  99.989% * 99.7454% (0.87  10.0 10.00   5.98 217.53) = 100.000%  kept
          HA    TRP   87 - HB2   LEU  104  14.60 +/- 1.06   0.008% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  18.13 +/- 1.06   0.002% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  23.36 +/- 1.52   0.000% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.99 +/- 2.07   0.000% *  0.0647% (0.56   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 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 = 217.5:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.984% * 99.4463% (0.66  10.0 10.00   5.43 217.53) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   8.68 +/- 0.93   0.009% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  11.44 +/- 1.58   0.002% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104  10.94 +/- 1.41   0.002% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  11.77 +/- 1.30   0.001% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  14.76 +/- 1.43   0.000% *  0.1167% (0.78   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 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 217.5:
    * O T HG    LEU  104 - HB2   LEU  104   2.47 +/- 0.28  99.109% * 99.5259% (0.87  10.0 10.00   6.00 217.53) =  99.999%  kept
          HB3   LYS+ 121 - HB2   LEU  104   6.97 +/- 1.48   0.583% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB2   LEU  104   7.70 +/- 1.49   0.299% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  14.83 +/- 1.65   0.003% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  16.09 +/- 1.62   0.002% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  18.03 +/- 0.95   0.001% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  16.74 +/- 1.63   0.001% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  16.76 +/- 0.85   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  18.82 +/- 1.39   0.001% *  0.0248% (0.22   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 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.43, residual support = 217.5:
    * O T QD1   LEU  104 - HB2   LEU  104   2.55 +/- 0.23  99.899% * 98.8828% (0.84  10.0 10.00   5.43 217.53) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU  104   9.48 +/- 1.44   0.066% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU  104  11.98 +/- 0.93   0.012% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  11.65 +/- 1.48   0.015% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  14.90 +/- 0.81   0.003% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  16.97 +/- 1.35   0.001% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  14.09 +/- 0.66   0.004% *  0.0255% (0.22   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 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.2, residual support = 217.5:
    * O T QD2   LEU  104 - HB2   LEU  104   3.01 +/- 0.31  96.157% * 99.0156% (0.87  10.0 10.00   6.20 217.53) =  99.997%  kept
        T QG1   VAL   41 - HB2   LEU  104   7.32 +/- 1.15   0.770% *  0.1960% (0.17   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   98 - HB2   LEU  104   5.79 +/- 0.68   2.759% *  0.0306% (0.27   1.0  1.00   0.02   8.33) =   0.001%
          QG1   VAL   43 - HB2   LEU  104   8.20 +/- 0.70   0.294% *  0.0338% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  14.21 +/- 0.93   0.011% *  0.5606% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  16.71 +/- 1.38   0.004% *  0.0956% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  16.28 +/- 1.00   0.005% *  0.0680% (0.60   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 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 217.5:
    * O T HA    LEU  104 - HB3   LEU  104   2.52 +/- 0.13  99.997% * 99.7454% (0.76  10.0 10.00   5.31 217.53) = 100.000%  kept
          HA    TRP   87 - HB3   LEU  104  15.83 +/- 1.08   0.002% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  19.45 +/- 1.10   0.001% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  24.38 +/- 1.48   0.000% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  28.91 +/- 2.11   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 = 217.5:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.995% * 99.7433% (0.66  10.0 10.00   5.43 217.53) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  10.87 +/- 0.48   0.002% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  11.19 +/- 1.56   0.003% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  13.03 +/- 1.66   0.001% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  19.64 +/- 1.27   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 = 5.28, residual support = 217.5:
    * O T HG    LEU  104 - HB3   LEU  104   2.90 +/- 0.14  95.219% * 99.5259% (0.76  10.0 10.00   5.28 217.53) =  99.996%  kept
          HB3   LYS+ 121 - HB3   LEU  104   6.41 +/- 1.44   3.318% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - HB3   LEU  104   7.21 +/- 1.52   1.446% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   LEU  104  14.93 +/- 1.81   0.007% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  16.29 +/- 1.49   0.004% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  19.38 +/- 0.91   0.001% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  18.02 +/- 1.47   0.002% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.10 +/- 0.70   0.002% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  19.58 +/- 1.52   0.001% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 5.0, residual support = 217.5:
    * O T QD1   LEU  104 - HB3   LEU  104   2.35 +/- 0.35  99.937% * 98.8828% (0.74  10.0 10.00   5.00 217.53) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104  10.09 +/- 1.34   0.045% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  13.32 +/- 0.85   0.004% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  12.03 +/- 1.39   0.010% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  16.23 +/- 0.77   0.001% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  18.34 +/- 1.31   0.001% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  15.24 +/- 0.65   0.002% *  0.0255% (0.19   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 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 5.36, residual support = 217.5:
    * O T QD2   LEU  104 - HB3   LEU  104   2.60 +/- 0.34  99.205% * 99.0156% (0.76  10.0 10.00   5.36 217.53) = 100.000%  kept
        T QG1   VAL   41 - HB3   LEU  104   8.43 +/- 0.97   0.115% *  0.1960% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB3   LEU  104   6.92 +/- 0.73   0.619% *  0.0306% (0.24   1.0  1.00   0.02   8.33) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  15.20 +/- 0.96   0.003% *  0.5606% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   LEU  104   9.59 +/- 0.70   0.055% *  0.0338% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  17.88 +/- 1.37   0.001% *  0.0956% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  17.42 +/- 1.03   0.001% *  0.0680% (0.52   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 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.86, residual support = 217.5:
    * O T HA    LEU  104 - HG    LEU  104   3.17 +/- 0.43  99.984% * 99.7454% (1.00  10.0 10.00   5.86 217.53) = 100.000%  kept
          HA    TRP   87 - HG    LEU  104  15.22 +/- 1.21   0.011% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  18.38 +/- 1.25   0.003% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  23.37 +/- 1.57   0.001% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  27.64 +/- 2.15   0.000% *  0.0647% (0.65   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 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 217.5:
    * O T HB2   LEU  104 - HG    LEU  104   2.47 +/- 0.28  99.973% * 99.7433% (0.87  10.0 10.00   6.00 217.53) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  11.67 +/- 0.55   0.012% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  12.41 +/- 1.71   0.009% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  13.90 +/- 1.91   0.005% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  21.47 +/- 1.22   0.000% *  0.0605% (0.53   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 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.28, residual support = 217.5:
    * O T HB3   LEU  104 - HG    LEU  104   2.90 +/- 0.14  99.711% * 99.4463% (0.76  10.0 10.00   5.28 217.53) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  104   8.95 +/- 1.21   0.177% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  104  11.26 +/- 1.66   0.062% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  12.16 +/- 1.55   0.030% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  13.27 +/- 1.38   0.014% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  15.56 +/- 1.29   0.005% *  0.1167% (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 1287 (1.53, 1.53, 26.82 ppm):
    1 diagonal assignment:
    *     HG    LEU  104 - HG    LEU  104  (1.00)  kept
 
    Peak 1288 (0.60, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 217.5:
    * O T QD1   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.983% * 98.8828% (0.97  10.0 10.00   5.28 217.53) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104  10.85 +/- 1.67   0.010% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  12.08 +/- 0.80   0.003% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  13.41 +/- 1.43   0.002% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  15.09 +/- 0.87   0.001% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  17.29 +/- 1.22   0.000% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  15.14 +/- 0.78   0.001% *  0.0255% (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 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.86, residual support = 217.5:
    * O T QD2   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.326% * 99.0156% (1.00  10.0 10.00   5.86 217.53) =  99.999%  kept
        T QG1   VAL   41 - HG    LEU  104   6.44 +/- 1.10   0.194% *  0.1960% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU  104   5.54 +/- 0.72   0.453% *  0.0306% (0.31   1.0  1.00   0.02   8.33) =   0.000%
          QG1   VAL   43 - HG    LEU  104   8.56 +/- 0.67   0.026% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  15.10 +/- 0.97   0.001% *  0.5606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  16.85 +/- 1.48   0.000% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  17.46 +/- 1.07   0.000% *  0.0680% (0.69   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 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 217.5:
    *   T HA    LEU  104 - QD1   LEU  104   3.50 +/- 0.54  99.407% * 99.2875% (0.96 10.00   5.31 217.53) =  99.999%  kept
        T HA    LEU  104 - QD1   LEU   63  11.31 +/- 1.63   0.209% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  13.65 +/- 0.91   0.039% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  13.96 +/- 1.09   0.037% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  12.27 +/- 1.14   0.081% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  16.62 +/- 1.05   0.012% *  0.0684% (0.66  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  12.54 +/- 0.57   0.059% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  12.00 +/- 0.65   0.077% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  19.26 +/- 1.26   0.005% *  0.0760% (0.74  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.50 +/- 0.98   0.017% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  16.36 +/- 1.83   0.018% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  14.80 +/- 1.74   0.026% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  22.71 +/- 1.93   0.002% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  17.67 +/- 1.86   0.009% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  20.36 +/- 1.02   0.003% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.722, support = 5.24, residual support = 208.8:
    * O T HB2   LEU  104 - QD1   LEU  104   2.55 +/- 0.23  21.061% * 87.9823% (0.84  10.0 10.00   5.43 217.53) =  85.297%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  63.729% *  3.2716% (0.03  10.0 10.00   5.61 241.31) =   9.598%  kept
        T QD1   ILE  119 - QD1   LEU   63   3.17 +/- 0.85  15.139% *  7.3247% (0.10   1.0 10.00   1.39   0.93) =   5.105%  kept
        T QD1   ILE  119 - QD1   LEU  104  10.16 +/- 1.68   0.009% *  0.5742% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   63   9.48 +/- 1.44   0.015% *  0.1620% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  11.34 +/- 1.48   0.005% *  0.1776% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  10.42 +/- 0.67   0.005% *  0.0979% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  11.38 +/- 1.46   0.004% *  0.1058% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  11.98 +/- 0.93   0.002% *  0.1620% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63   9.09 +/- 1.23   0.015% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  11.65 +/- 1.62   0.004% *  0.0327% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.12 +/- 1.93   0.011% *  0.0098% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  11.81 +/- 0.72   0.002% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.93 +/- 1.46   0.000% *  0.0534% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.01 +/- 1.60   0.000% *  0.0098% (0.09   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 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.701, support = 5.05, residual support = 218.8:
    * O T HB3   LEU  104 - QD1   LEU  104   2.35 +/- 0.35  56.230% * 89.6045% (0.74  10.0 10.00   5.00 217.53) =  94.540%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.59 +/- 0.23  32.747% *  8.8779% (0.07  10.0 10.00   5.87 241.31) =   5.455%  kept
          QD1   LEU   71 - QD1   LEU   73   4.19 +/- 1.54   8.606% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - QD1   LEU   63   6.31 +/- 1.62   1.494% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   6.99 +/- 0.88   0.122% *  0.1132% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   6.09 +/- 0.68   0.277% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  10.79 +/- 1.35   0.010% *  0.4820% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   6.16 +/- 0.67   0.203% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   9.41 +/- 1.81   0.029% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.44 +/- 1.57   0.026% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63  10.09 +/- 1.34   0.016% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.13 +/- 1.28   0.130% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   8.97 +/- 1.66   0.051% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.26 +/- 0.73   0.044% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  11.31 +/- 1.29   0.006% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  13.15 +/- 1.59   0.003% *  0.1052% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  13.32 +/- 0.85   0.002% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.81 +/- 2.03   0.002% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 217.5:
    * O T HG    LEU  104 - QD1   LEU  104   2.12 +/- 0.01  94.145% * 98.9901% (0.97  10.0 10.00   5.28 217.53) =  99.999%  kept
          HB3   LYS+ 121 - QD1   LEU  104   6.59 +/- 1.70   0.485% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   73   3.89 +/- 0.81   4.638% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  104   7.50 +/- 1.67   0.141% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63  10.85 +/- 1.67   0.009% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.06 +/- 1.04   0.126% *  0.0125% (0.12   1.0  1.00   0.02   6.13) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   7.82 +/- 1.33   0.068% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   6.57 +/- 0.97   0.170% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   8.65 +/- 1.60   0.039% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  12.08 +/- 0.80   0.003% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   7.53 +/- 1.22   0.093% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   8.73 +/- 0.75   0.026% *  0.0176% (0.17   1.0  1.00   0.02  40.49) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  12.61 +/- 1.30   0.003% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  10.51 +/- 1.27   0.008% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.20 +/- 0.63   0.031% *  0.0045% (0.04   1.0  1.00   0.02   1.18) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  15.45 +/- 1.40   0.001% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  13.52 +/- 1.31   0.002% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.52 +/- 1.24   0.000% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  14.48 +/- 0.93   0.001% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.06 +/- 1.62   0.001% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  16.26 +/- 1.46   0.001% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  14.32 +/- 0.60   0.001% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.58 +/- 1.63   0.003% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  12.80 +/- 0.97   0.002% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  15.01 +/- 2.01   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  15.37 +/- 1.36   0.001% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  18.36 +/- 1.28   0.000% *  0.0179% (0.17   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 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 = 5.46, residual support = 217.5:
    * O T QD2   LEU  104 - QD1   LEU  104   2.08 +/- 0.05  88.603% * 98.3006% (0.97  10.0 10.00   5.46 217.53) =  99.998%  kept
        T QG1   VAL   41 - QD1   LEU  104   5.85 +/- 0.99   0.291% *  0.1945% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QD1   LEU   73   3.69 +/- 0.87   8.783% *  0.0062% (0.06   1.0  1.00   0.02   7.87) =   0.001%
        T QG2   VAL   18 - QD1   LEU   63   6.08 +/- 1.12   0.418% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU  104   5.71 +/- 0.92   0.716% *  0.0303% (0.30   1.0  1.00   0.02   8.33) =   0.000%
        T QG1   VAL   41 - QD1   LEU   73   5.79 +/- 0.86   0.305% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   7.05 +/- 0.76   0.077% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   73   5.42 +/- 0.70   0.419% *  0.0175% (0.17   1.0  1.00   0.02   4.10) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63   9.93 +/- 1.28   0.014% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.86 +/- 1.04   0.059% *  0.0335% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  12.64 +/- 1.03   0.002% *  0.5565% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  11.08 +/- 1.07   0.005% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   8.65 +/- 1.89   0.050% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   9.40 +/- 2.26   0.093% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.83 +/- 1.50   0.013% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.81 +/- 1.67   0.065% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   7.49 +/- 1.19   0.060% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.62 +/- 0.44   0.019% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.93 +/- 1.41   0.007% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  14.21 +/- 1.14   0.001% *  0.0949% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  15.04 +/- 1.00   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 = 5.82, residual support = 217.5:
    *   T HA    LEU  104 - QD2   LEU  104   2.23 +/- 0.45  99.888% * 99.4871% (1.00 10.00   5.82 217.53) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41   8.56 +/- 0.88   0.055% *  0.0534% (0.05 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18  10.28 +/- 0.80   0.032% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  13.20 +/- 1.23   0.005% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  16.29 +/- 0.88   0.001% *  0.1529% (0.15 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  15.85 +/- 1.35   0.001% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  20.61 +/- 1.61   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  15.63 +/- 1.13   0.002% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  12.23 +/- 0.76   0.006% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  24.08 +/- 2.33   0.000% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  13.50 +/- 0.77   0.003% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  15.28 +/- 1.62   0.002% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  16.70 +/- 1.08   0.001% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  18.36 +/- 1.07   0.001% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  18.59 +/- 2.30   0.001% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.2, residual support = 217.5:
    * O T HB2   LEU  104 - QD2   LEU  104   3.01 +/- 0.31  96.272% * 99.4846% (0.87  10.0 10.00   6.20 217.53) =  99.999%  kept
        T HB2   LEU  104 - QG1   VAL   41   7.32 +/- 1.15   0.774% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD2   LEU  104  10.15 +/- 0.42   0.072% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   7.06 +/- 1.57   2.063% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   7.49 +/- 0.73   0.553% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  11.11 +/- 1.27   0.063% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  14.21 +/- 0.93   0.011% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  12.64 +/- 1.63   0.030% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  12.71 +/- 0.86   0.021% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  11.64 +/- 0.87   0.038% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  11.90 +/- 1.69   0.055% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  18.60 +/- 1.03   0.002% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  14.60 +/- 1.83   0.012% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  12.32 +/- 1.69   0.035% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  20.37 +/- 1.31   0.001% *  0.0032% (0.03   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 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.53, support = 4.85, residual support = 165.1:
    * O T HB3   LEU  104 - QD2   LEU  104   2.60 +/- 0.34  22.359% * 83.3286% (0.76  10.0 10.00   5.36 217.53) =  62.639%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.05  73.954% * 15.0261% (0.14  10.0 10.00   4.00  77.12) =  37.360%  kept
          QD1   LEU   71 - QG1   VAL   41   5.51 +/- 1.36   3.297% *  0.0058% (0.05   1.0  1.00   0.02   4.34) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   8.34 +/- 0.98   0.023% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.14 +/- 1.21   0.073% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.47 +/- 1.24   0.069% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  14.05 +/- 1.30   0.001% *  0.9779% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   8.43 +/- 0.97   0.019% *  0.0448% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.39 +/- 1.39   0.007% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.00 +/- 0.91   0.100% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  10.57 +/- 1.43   0.006% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.83 +/- 0.74   0.072% *  0.0057% (0.05   1.0  1.00   0.02   2.75) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41  10.47 +/- 1.03   0.005% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  10.43 +/- 1.64   0.007% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  12.10 +/- 1.32   0.002% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.20 +/- 0.96   0.000% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.59 +/- 1.85   0.003% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.83 +/- 1.10   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 = 5.86, residual support = 217.5:
    * O T HG    LEU  104 - QD2   LEU  104   2.12 +/- 0.01  94.111% * 99.1828% (1.00  10.0 10.00   5.86 217.53) =  99.998%  kept
          HG2   LYS+  65 - QG2   VAL   18   5.20 +/- 1.77   2.904% *  0.0449% (0.04   1.0  1.00   0.24   0.02) =   0.001%
          HD3   LYS+  74 - QG2   VAL   18   4.90 +/- 1.31   2.390% *  0.0147% (0.15   1.0  1.00   0.02   0.99) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   6.44 +/- 1.10   0.186% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD2   LEU  104   7.62 +/- 1.35   0.099% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   8.29 +/- 1.37   0.047% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.00 +/- 1.25   0.184% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   9.19 +/- 0.90   0.018% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  15.10 +/- 0.97   0.001% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.94 +/- 1.69   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  15.61 +/- 1.28   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.81 +/- 0.41   0.019% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.25 +/- 0.96   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  17.36 +/- 0.91   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  12.02 +/- 1.70   0.005% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   9.17 +/- 0.80   0.020% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  13.98 +/- 1.13   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  14.94 +/- 0.64   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  12.47 +/- 1.24   0.003% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  16.06 +/- 1.10   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.76 +/- 1.51   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  13.97 +/- 0.85   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  14.02 +/- 1.20   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  12.64 +/- 1.55   0.003% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  14.24 +/- 0.57   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  18.49 +/- 1.55   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  15.42 +/- 0.96   0.001% *  0.0013% (0.01   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 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.46, residual support = 217.5:
    * O T QD1   LEU  104 - QD2   LEU  104   2.08 +/- 0.05  98.688% * 98.4528% (0.97  10.0 10.00   5.46 217.53) =  99.999%  kept
        T QD1   LEU   63 - QG2   VAL   18   6.08 +/- 1.12   0.443% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG1   VAL   41   5.85 +/- 0.99   0.312% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG1   VAL   41   5.79 +/- 0.86   0.364% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.93 +/- 1.28   0.016% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.05 +/- 0.76   0.086% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  11.08 +/- 1.07   0.006% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  12.64 +/- 1.03   0.002% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.83 +/- 1.50   0.015% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  11.92 +/- 1.14   0.003% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18   9.00 +/- 0.95   0.019% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  13.34 +/- 0.92   0.002% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  10.40 +/- 1.28   0.008% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41   9.41 +/- 0.51   0.012% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  15.32 +/- 1.26   0.001% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  11.75 +/- 1.02   0.004% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  13.38 +/- 0.69   0.001% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  10.68 +/- 1.21   0.007% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  10.79 +/- 0.96   0.006% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.10 +/- 1.36   0.002% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  11.73 +/- 0.46   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 = 3.2, residual support = 42.6:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.55 +/- 0.17  99.897% * 99.5527% (0.95  10.0 10.00   3.20  42.61) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   8.99 +/- 0.35   0.059% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  10.21 +/- 1.00   0.035% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  15.27 +/- 0.84   0.002% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  13.77 +/- 1.29   0.005% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  17.75 +/- 1.18   0.001% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  22.60 +/- 0.73   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.33 +/- 0.66   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.40 +/- 0.98   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.2, residual support = 42.6:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.55 +/- 0.17  99.999% * 99.7814% (0.95  10.0 10.00   3.20  42.61) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  22.98 +/- 0.91   0.000% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  25.29 +/- 0.83   0.000% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  24.02 +/- 0.71   0.000% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  24.16 +/- 0.68   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 136.2:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.14 +/- 0.00  98.766% * 99.1664% (1.00  10.0 10.00   6.31 136.15) =  99.999%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.58 +/- 0.35   1.188% *  0.0860% (0.87   1.0  1.00   0.02  21.98) =   0.001%
          HB    ILE  103 - HA    LYS+ 106   8.14 +/- 0.63   0.037% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  12.59 +/- 1.57   0.003% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  15.02 +/- 0.97   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.82 +/- 1.08   0.003% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  18.01 +/- 0.66   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  17.83 +/- 0.52   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  18.36 +/- 2.15   0.000% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.19 +/- 0.72   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.01 +/- 0.98   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  18.83 +/- 0.86   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  17.28 +/- 1.07   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 = 5.03, residual support = 136.2:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.97 +/- 0.23  99.441% * 98.2431% (1.00  10.0 10.00   5.03 136.15) = 100.000%  kept
        T QG    LYS+  81 - HA    LYS+ 106  17.98 +/- 0.74   0.013% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 106  10.29 +/- 1.84   0.481% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  19.14 +/- 1.43   0.009% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  14.03 +/- 0.99   0.056% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 136.2:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.87 +/- 0.28  98.484% * 98.5750% (1.00 10.00   4.80 136.15) =  99.998%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.29 +/- 0.59   0.175% *  0.9836% (1.00 10.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106  10.02 +/- 1.35   0.428% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 106  11.97 +/- 0.96   0.137% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  11.24 +/- 0.87   0.227% *  0.0405% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  10.90 +/- 0.65   0.218% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  12.82 +/- 0.84   0.094% *  0.0716% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  14.20 +/- 1.27   0.049% *  0.0932% (0.95  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  11.77 +/- 0.93   0.149% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  14.60 +/- 0.85   0.038% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.02, residual support = 119.9:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.41 +/- 0.48  46.160% * 88.5589% (1.00 10.00   5.24 136.15) =  87.097%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.26 +/- 0.51  53.666% * 11.2845% (0.73  1.00   3.51  10.18) =  12.903%  kept
          HB3   PHE   60 - HA    LYS+ 106  11.66 +/- 1.20   0.142% *  0.0838% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    LYS+ 106  15.30 +/- 0.56   0.025% *  0.0608% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  18.92 +/- 1.13   0.007% *  0.0120% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.31, residual support = 136.2:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.14 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   6.31 136.15) = 100.000%  kept
    Distance limit 3.34 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 = 5.33, residual support = 136.2:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.27 +/- 0.12  99.968% * 98.2431% (1.00  10.0 10.00   5.33 136.15) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+ 106  15.32 +/- 0.87   0.001% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+ 106   9.55 +/- 1.73   0.027% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  17.54 +/- 1.32   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  13.33 +/- 1.11   0.003% *  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 = 5.08, residual support = 136.2:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.28 +/- 0.17  99.890% * 97.1433% (1.00  10.0 10.00   5.08 136.15) = 100.000%  kept
        T QD    LYS+  99 - QB    LYS+ 106  10.78 +/- 0.55   0.012% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QB    LYS+ 106  10.02 +/- 1.40   0.021% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  11.64 +/- 0.81   0.007% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  10.35 +/- 0.99   0.015% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  14.98 +/- 0.70   0.001% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  10.31 +/- 0.71   0.015% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.32 +/- 0.62   0.015% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106   9.98 +/- 0.99   0.020% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  13.21 +/- 1.37   0.003% *  0.0919% (0.95   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 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.985, support = 5.29, residual support = 129.4:
    *   T QE    LYS+ 106 - QB    LYS+ 106   3.20 +/- 0.58  88.624% * 69.1358% (1.00 10.00   5.53 136.15) =  94.641%  kept
        T HB2   PHE   97 - QB    LYS+ 106   4.79 +/- 0.60  11.285% * 30.7419% (0.73 10.00   1.22  10.18) =   5.359%  kept
          HB3   PHE   60 - QB    LYS+ 106  11.79 +/- 1.18   0.063% *  0.0654% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  13.50 +/- 0.58   0.022% *  0.0475% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  16.84 +/- 1.28   0.006% *  0.0094% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 5.03, residual support = 136.2:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.97 +/- 0.23  99.978% * 99.1803% (1.00  10.0 10.00   5.03 136.15) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  19.14 +/- 1.43   0.009% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  17.98 +/- 0.74   0.013% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.732, support = 5.28, residual support = 134.5:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.27 +/- 0.12  27.969% * 54.3218% (1.00  10.0 10.00   5.33 136.15) =  52.388%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.27 +/- 0.08  27.328% * 31.1646% (0.57  10.0 10.00   5.68 151.95) =  29.367%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.02  44.365% * 11.9258% (0.22  10.0 10.00   4.50 101.65) =  18.244%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.98 +/- 1.44   0.156% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.51 +/- 0.52   0.060% *  0.0471% (0.87   1.0  1.00   0.02  21.98) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   6.15 +/- 0.71   0.097% *  0.0135% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.24 +/- 1.29   0.017% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  18.08 +/- 1.38   0.000% *  0.5420% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.73 +/- 1.22   0.003% *  0.0200% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  17.54 +/- 1.32   0.000% *  0.3294% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.88 +/- 0.52   0.000% *  0.5139% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.32 +/- 0.87   0.000% *  0.1195% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  14.98 +/- 1.33   0.000% *  0.0532% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.87 +/- 0.87   0.000% *  0.3287% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.69 +/- 1.85   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  18.40 +/- 0.86   0.000% *  0.1131% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.94 +/- 1.32   0.001% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.71 +/- 2.13   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.13 +/- 1.73   0.001% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.01 +/- 1.42   0.000% *  0.0264% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.44 +/- 0.86   0.000% *  0.0223% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.10 +/- 1.82   0.000% *  0.0286% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.24 +/- 2.22   0.000% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.47 +/- 0.93   0.000% *  0.0329% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.31 +/- 1.91   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.90 +/- 1.19   0.000% *  0.0454% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.26 +/- 0.68   0.000% *  0.0049% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.47 +/- 1.68   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  20.17 +/- 1.46   0.000% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  25.58 +/- 1.49   0.000% *  0.0323% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.09 +/- 1.97   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  21.60 +/- 0.68   0.000% *  0.0104% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.93 +/- 1.11   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.04 +/- 2.71   0.000% *  0.0275% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.76 +/- 0.93   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.72 +/- 1.59   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.87 +/- 1.16   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.00 +/- 0.52   0.000% *  0.0072% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.92 +/- 1.22   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.11, residual support = 136.2:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.30 +/- 0.13  99.904% * 96.6493% (1.00  10.0 10.00   4.11 136.15) = 100.000%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  11.77 +/- 0.62   0.007% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  12.91 +/- 1.55   0.005% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  33   9.63 +/- 1.09   0.025% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106   9.96 +/- 1.58   0.024% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.25 +/- 0.56   0.008% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  13.39 +/- 1.22   0.003% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  19.51 +/- 1.45   0.000% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  14.13 +/- 1.36   0.003% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  13.00 +/- 1.46   0.004% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  16.99 +/- 1.15   0.001% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  13.49 +/- 0.92   0.003% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  16.39 +/- 1.71   0.001% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  13.87 +/- 1.70   0.003% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  14.00 +/- 1.49   0.002% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  14.11 +/- 0.91   0.002% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  22.50 +/- 1.23   0.000% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  17.33 +/- 0.88   0.001% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.19 +/- 2.02   0.002% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  15.87 +/- 1.49   0.001% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  16.35 +/- 0.89   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.09 +/- 1.92   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  23.87 +/- 3.16   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.28 +/- 1.24   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  22.52 +/- 1.38   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.74 +/- 1.53   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  20.82 +/- 1.73   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  30.80 +/- 1.57   0.000% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  23.48 +/- 1.03   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  28.57 +/- 1.03   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 = 4.54, residual support = 136.2:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.80 +/- 0.40  97.340% * 98.7341% (1.00  10.0 10.00   4.54 136.15) =  99.998%  kept
          HB2   PHE   97 - HG2   LYS+ 106   5.92 +/- 0.83   2.236% *  0.0717% (0.73   1.0  1.00   0.02  10.18) =   0.002%
          HB2   ASN   35 - HG2   LYS+  33   7.68 +/- 0.63   0.324% *  0.0081% (0.08   1.0  1.00   0.02   1.20) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  10.98 +/- 0.60   0.036% *  0.0411% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  19.47 +/- 1.14   0.001% *  0.5988% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  10.82 +/- 0.62   0.041% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  15.24 +/- 1.22   0.005% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  17.83 +/- 1.23   0.002% *  0.2172% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  16.47 +/- 0.86   0.003% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  16.46 +/- 1.69   0.004% *  0.0435% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  18.33 +/- 1.61   0.002% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  16.77 +/- 0.70   0.003% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  18.94 +/- 1.19   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  19.81 +/- 0.75   0.001% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.32 +/- 0.96   0.000% *  0.0029% (0.03   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 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 136.2:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.87 +/- 0.28  99.822% * 99.1942% (0.99 10.00   4.80 136.15) =  99.999%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.29 +/- 0.59   0.178% *  0.8058% (0.81 10.00   0.02   0.02) =   0.001%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.991, support = 5.08, residual support = 136.2:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.28 +/- 0.17  98.174% * 96.5416% (0.99  10.0 10.00   5.08 136.15) =  99.999%  kept
          HB    ILE  103 - QD    LYS+ 106   6.20 +/- 1.52   0.900% *  0.0773% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+ 106   6.06 +/- 0.57   0.413% *  0.0837% (0.86   1.0  1.00   0.02  21.98) =   0.000%
          HB3   LYS+  38 - QD    LYS+  99   6.92 +/- 1.41   0.365% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  10.78 +/- 0.55   0.011% *  0.7842% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   8.62 +/- 1.06   0.082% *  0.0680% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  13.74 +/- 1.89   0.003% *  0.7378% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.57 +/- 0.55   0.021% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  12.06 +/- 1.15   0.007% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  12.41 +/- 2.01   0.006% *  0.0599% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  13.49 +/- 1.34   0.003% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  19.95 +/- 1.15   0.000% *  0.5993% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  12.16 +/- 1.29   0.005% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  13.94 +/- 1.53   0.003% *  0.0322% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  16.64 +/- 1.08   0.001% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.97 +/- 0.91   0.000% *  0.0913% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.80 +/- 0.98   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.43 +/- 1.18   0.000% *  0.0586% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  19.59 +/- 1.88   0.000% *  0.0738% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  19.46 +/- 1.10   0.000% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  22.49 +/- 1.25   0.000% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  23.09 +/- 0.68   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  18.71 +/- 1.20   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  25.57 +/- 1.38   0.000% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.25 +/- 0.86   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  21.13 +/- 1.36   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 0.00 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 136.2:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.30 +/- 0.13  99.955% * 96.1045% (0.99  10.0 10.00   4.11 136.15) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  11.77 +/- 0.62   0.007% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  12.91 +/- 1.55   0.005% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  16.99 +/- 1.15   0.001% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106   9.62 +/- 1.99   0.031% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  19.51 +/- 1.45   0.000% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  22.50 +/- 1.23   0.000% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  15.75 +/- 1.12   0.001% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.59 +/- 1.00   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  19.23 +/- 1.61   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 0.02 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 = 3.39, residual support = 136.2:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.08 +/- 0.02  99.741% * 98.7514% (0.99  10.0 10.00   3.39 136.15) = 100.000%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.21 +/- 0.68   0.192% *  0.0717% (0.72   1.0  1.00   0.02  10.18) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  10.66 +/- 1.00   0.007% *  0.8022% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.59 +/- 0.63   0.050% *  0.0583% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  13.95 +/- 1.23   0.001% *  0.0934% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  10.97 +/- 1.21   0.007% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.84 +/- 0.99   0.001% *  0.0678% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  16.39 +/- 1.48   0.001% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.43 +/- 1.23   0.000% *  0.0551% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  18.12 +/- 1.71   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 = 5.24, residual support = 136.2:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.41 +/- 0.48 100.000% *100.0000% (1.00 10.00   5.24 136.15) = 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 = 0.985, support = 5.34, residual support = 123.5:
    *   T QB    LYS+ 106 - QE    LYS+ 106   3.20 +/- 0.58  79.777% * 53.3343% (1.00 10.00   5.53 136.15) =  88.901%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   5.64 +/- 1.38  11.474% * 46.2637% (0.87 10.00   3.86  21.98) =  11.091%  kept
          HB    ILE  103 - QE    LYS+ 106   6.13 +/- 1.62   8.679% *  0.0427% (0.80  1.00   0.02   0.02) =   0.008%
          HB    ILE   56 - QE    LYS+ 106  14.33 +/- 1.80   0.016% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+ 106  14.57 +/- 1.46   0.011% *  0.0523% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  13.15 +/- 1.65   0.021% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  17.49 +/- 1.10   0.004% *  0.0532% (1.00  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  17.97 +/- 0.65   0.003% *  0.0505% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  19.25 +/- 2.26   0.004% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  17.90 +/- 1.13   0.004% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  17.05 +/- 0.82   0.004% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  20.09 +/- 1.09   0.002% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  19.07 +/- 1.27   0.003% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 136.2:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.80 +/- 0.40  99.873% * 98.2431% (1.00  10.0 10.00   4.54 136.15) = 100.000%  kept
        T QG    LYS+  81 - QE    LYS+ 106  17.83 +/- 1.23   0.002% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+ 106  10.05 +/- 2.13   0.120% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  19.47 +/- 1.14   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  16.39 +/- 1.01   0.004% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.39, residual support = 136.2:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.08 +/- 0.02  99.946% * 98.5861% (0.99  10.0 10.00   3.39 136.15) = 100.000%  kept
        T QD    LYS+  99 - QE    LYS+ 106  10.66 +/- 1.00   0.007% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.31 +/- 1.69   0.026% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  10.38 +/- 0.87   0.007% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  11.89 +/- 1.43   0.004% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  11.84 +/- 1.51   0.004% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  12.58 +/- 1.46   0.003% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  12.47 +/- 1.25   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  16.08 +/- 1.18   0.001% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  14.91 +/- 1.42   0.001% *  0.0373% (0.38   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 1341 (2.98, 2.98, 42.19 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 106 - QE    LYS+ 106  (1.00)  kept
 
    Peak 1342 (4.48, 4.48, 62.32 ppm):
    1 diagonal assignment:
    *     HA    VAL  107 - HA    VAL  107  (1.00)  kept
 
    Peak 1343 (2.40, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.2:
    * O T HB    VAL  107 - HA    VAL  107   2.94 +/- 0.12  99.841% * 99.6302% (0.73  10.0 10.00   3.31  60.18) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.65 +/- 0.78   0.053% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.88 +/- 0.59   0.077% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  11.99 +/- 0.94   0.027% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  20.31 +/- 0.85   0.001% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  22.78 +/- 0.96   0.000% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.81 +/- 0.88   0.001% *  0.0272% (0.20   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 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.2:
    * O T HA    VAL  107 - HB    VAL  107   2.94 +/- 0.12  99.222% * 99.7511% (0.73  10.0 10.00   3.31  60.18) = 100.000%  kept
          HA    ALA  110 - HB    VAL  107   7.24 +/- 1.28   0.735% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB    VAL  107  12.93 +/- 1.54   0.019% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  14.03 +/- 1.26   0.011% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  13.85 +/- 0.89   0.010% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  17.53 +/- 0.68   0.002% *  0.0799% (0.58   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 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 = 3.57, residual support = 65.0:
    * O T HB    VAL  108 - HA    VAL  108   2.63 +/- 0.36  97.009% * 99.4465% (1.00  10.0 10.00   3.57  65.00) =  99.998%  kept
          HB2   PRO   93 - HA    VAL  108   5.91 +/- 1.19   2.979% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    VAL  108  13.18 +/- 1.27   0.007% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  15.19 +/- 1.66   0.003% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  19.86 +/- 0.79   0.001% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  21.48 +/- 1.37   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.69 +/- 0.55   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  23.65 +/- 1.41   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  37.46 +/- 2.03   0.000% *  0.0135% (0.14   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 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.0:
    * O T QG1   VAL  108 - HA    VAL  108   2.61 +/- 0.04  99.982% * 99.8607% (1.00  10.0 10.00   3.97  65.00) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  14.05 +/- 1.34   0.005% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.08 +/- 0.81   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  14.19 +/- 1.09   0.004% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  16.56 +/- 1.65   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.0:
    * O T QG2   VAL  108 - HA    VAL  108   2.67 +/- 0.48  99.857% * 99.7938% (1.00  10.0 10.00   3.30  65.00) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108  10.11 +/- 1.36   0.093% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  10.90 +/- 1.09   0.042% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.70 +/- 0.41   0.008% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 65.0:
    * O T HA    VAL  108 - HB    VAL  108   2.63 +/- 0.36  98.378% * 99.8175% (1.00  10.0 10.00   3.57  65.00) =  99.999%  kept
          HA1   GLY  109 - HB    VAL  108   5.58 +/- 0.25   1.613% *  0.0308% (0.31   1.0  1.00   0.02   7.59) =   0.001%
          HA    ALA   47 - HB    VAL  108  14.10 +/- 1.37   0.005% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  15.77 +/- 1.95   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  19.14 +/- 1.23   0.001% *  0.0198% (0.20   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 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 = 3.73, residual support = 65.0:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  99.996% * 99.8607% (1.00  10.0 10.00   3.73  65.00) = 100.000%  kept
          QD1   LEU   40 - HB    VAL  108  13.02 +/- 0.82   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL  108  15.15 +/- 1.40   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  15.28 +/- 1.52   0.001% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  17.08 +/- 1.80   0.000% *  0.0175% (0.18   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 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.28, residual support = 65.0:
    * O T QG2   VAL  108 - HB    VAL  108   2.14 +/- 0.00  99.990% * 99.1471% (1.00  10.0 10.00   3.28  65.00) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  11.36 +/- 1.41   0.006% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  12.86 +/- 0.34   0.002% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  13.02 +/- 0.93   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.993, support = 3.96, residual support = 64.4:
    * O T HA    VAL  108 - QG1   VAL  108   2.61 +/- 0.04  83.244% * 95.2091% (1.00  10.0 10.00   3.97  65.00) =  99.029%  kept
          HA1   GLY  109 - QG1   VAL  108   3.43 +/- 0.15  16.731% *  4.6463% (0.31   1.0  1.00   3.16   7.59) =   0.971%  kept
          HA    ALA   47 - QG1   VAL  108  11.41 +/- 1.05   0.014% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  12.74 +/- 1.49   0.008% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  15.32 +/- 0.92   0.002% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 65.0:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  99.857% * 99.4465% (1.00  10.0 10.00   3.73  65.00) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   6.96 +/- 1.03   0.139% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  13.39 +/- 1.03   0.002% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  14.39 +/- 1.74   0.001% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  17.89 +/- 0.80   0.000% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.72 +/- 0.67   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.27 +/- 1.25   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  22.06 +/- 1.11   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  33.24 +/- 1.78   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 = 65.0:
    * O T QG2   VAL  108 - QG1   VAL  108   2.09 +/- 0.02  99.985% * 99.7938% (1.00  10.0 10.00   3.44  65.00) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108  10.58 +/- 1.10   0.007% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.55 +/- 0.33   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  10.95 +/- 0.82   0.005% *  0.0375% (0.38   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 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.0:
    * O T HA    VAL  108 - QG2   VAL  108   2.67 +/- 0.48  95.433% * 99.8175% (1.00  10.0 10.00   3.30  65.00) =  99.999%  kept
          HA1   GLY  109 - QG2   VAL  108   5.07 +/- 0.41   4.542% *  0.0308% (0.31   1.0  1.00   0.02   7.59) =   0.001%
          HA    ALA   47 - QG2   VAL  108  11.94 +/- 1.34   0.014% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG2   VAL  108  13.46 +/- 1.52   0.008% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  16.25 +/- 1.09   0.002% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.28, residual support = 65.0:
    * O T HB    VAL  108 - QG2   VAL  108   2.14 +/- 0.00  99.856% * 98.6316% (1.00  10.0 10.00   3.28  65.00) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   7.19 +/- 1.33   0.138% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  11.96 +/- 1.05   0.004% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  14.97 +/- 1.17   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  16.25 +/- 0.85   0.001% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.60 +/- 0.59   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  17.74 +/- 1.26   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  20.21 +/- 1.03   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  31.55 +/- 1.87   0.000% *  0.0133% (0.14   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 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.0:
    * O T QG1   VAL  108 - QG2   VAL  108   2.09 +/- 0.02  99.988% * 99.8607% (1.00  10.0 10.00   3.44  65.00) = 100.000%  kept
          QD1   LEU   40 - QG2   VAL  108  10.56 +/- 0.71   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL  108  12.59 +/- 1.20   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  12.72 +/- 0.82   0.002% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  14.16 +/- 1.61   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 9.23:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.999% * 98.9563% (1.00  10.0 10.00   2.00   9.23) = 100.000%  kept
        T HB2   TRP   49 - HA1   GLY  109  16.71 +/- 1.29   0.000% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA1   GLY  109  13.05 +/- 0.57   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  14.42 +/- 1.26   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  15.47 +/- 1.16   0.000% *  0.0719% (0.73   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 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.23:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.622% * 97.8789% (1.00  10.0 10.00   2.00   9.23) = 100.000%  kept
          HA    VAL  108 - HA2   GLY  109   4.44 +/- 0.04   0.376% *  0.0302% (0.31   1.0  1.00   0.02   7.59) =   0.000%
        T HA    CYS   50 - HA2   GLY  109  13.93 +/- 1.89   0.001% *  0.9766% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  17.17 +/- 1.58   0.000% *  0.9446% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  13.72 +/- 1.59   0.001% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.09 +/- 1.04   0.000% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  23.91 +/- 1.11   0.000% *  0.0818% (0.84   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 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T QB    ALA  110 - HA    ALA  110   2.12 +/- 0.02  99.993% * 98.4934% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  13.23 +/- 2.78   0.003% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  15.09 +/- 1.64   0.001% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  16.47 +/- 2.18   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  17.30 +/- 2.41   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  19.95 +/- 1.45   0.000% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  19.51 +/- 2.61   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  20.21 +/- 2.21   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.32 +/- 0.98   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  19.26 +/- 1.88   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  23.27 +/- 2.47   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.06 +/- 1.57   0.000% *  0.0304% (0.31   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 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T HA    ALA  110 - QB    ALA  110   2.12 +/- 0.02  99.036% * 98.8162% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
          HA    PHE   55 - QB    ALA  110   7.76 +/- 3.05   0.288% *  0.0857% (0.87   1.0  1.00   0.02   0.16) =   0.000%
          HA    VAL  107 - QB    ALA  110   7.26 +/- 1.38   0.345% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110   7.82 +/- 1.91   0.296% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  110 - QB    ALA   61  13.23 +/- 2.78   0.003% *  0.7312% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  10.67 +/- 1.52   0.010% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QB    ALA   61  10.02 +/- 1.37   0.014% *  0.0634% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.46 +/- 0.56   0.004% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  16.23 +/- 1.57   0.001% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  14.52 +/- 1.26   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.94 +/- 0.73   0.001% *  0.0226% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  15.78 +/- 1.07   0.001% *  0.0145% (0.15   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 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 = 315.4:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.60 +/- 0.18  96.528% * 98.9314% (1.00  10.0 10.00   7.98 315.43) =  99.998%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.79 +/- 0.65   3.459% *  0.0560% (0.57   1.0  1.00   0.02   2.41) =   0.002%
          HB    ILE  119 - HA    LYS+ 111  12.00 +/- 1.16   0.012% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  27.29 +/- 1.39   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  24.21 +/- 1.44   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  24.96 +/- 2.15   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  25.34 +/- 1.42   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  24.34 +/- 2.85   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  24.23 +/- 1.33   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  31.24 +/- 0.88   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  25.78 +/- 0.99   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  28.16 +/- 0.79   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 = 315.4:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.62 +/- 0.18  98.419% * 99.2615% (1.00  10.0 10.00   7.31 315.43) =  99.999%  kept
          HB3   PRO   93 - HA    LYS+ 111   7.99 +/- 1.01   1.426% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+ 111  14.59 +/- 1.21   0.028% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 111  14.59 +/- 1.06   0.028% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  14.32 +/- 1.48   0.035% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  13.66 +/- 1.00   0.039% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  16.22 +/- 0.89   0.013% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  18.76 +/- 0.97   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  19.97 +/- 1.36   0.004% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  23.16 +/- 1.59   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.62 +/- 1.00   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  27.17 +/- 0.65   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  31.46 +/- 1.20   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 0.15 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.4:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.48 +/- 0.40  96.178% * 99.3524% (1.00  10.0 10.00   7.31 315.43) =  99.999%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   5.61 +/- 1.29   3.816% *  0.0373% (0.38   1.0  1.00   0.02  27.98) =   0.001%
        T HG2   LYS+  74 - HA    LYS+ 111  18.05 +/- 1.21   0.001% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 111  14.92 +/- 1.25   0.004% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  24.17 +/- 2.01   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  25.18 +/- 2.04   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.38 +/- 0.82   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  25.64 +/- 1.45   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.4:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   2.88 +/- 0.42  98.433% * 98.3525% (1.00 10.00   6.21 315.43) =  99.999%  kept
          HG3   PRO   93 - HA    LYS+ 111   6.87 +/- 1.27   1.289% *  0.0853% (0.87  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+ 111   8.78 +/- 1.50   0.237% *  0.0964% (0.98  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 111  11.60 +/- 0.92   0.033% *  0.0714% (0.73  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  21.86 +/- 1.28   0.001% *  0.6756% (0.69 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  17.11 +/- 0.82   0.003% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.80 +/- 1.71   0.001% *  0.1518% (0.15 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  20.99 +/- 1.04   0.001% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  22.15 +/- 1.36   0.001% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  27.82 +/- 1.25   0.000% *  0.3036% (0.31 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.09 +/- 1.08   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.4:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.11 +/- 0.25  99.282% * 98.5544% (1.00 10.00   6.21 315.43) =  99.999%  kept
          QB    ALA   57 - HA    LYS+ 111  11.61 +/- 2.16   0.608% *  0.0983% (1.00  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HA    LYS+ 111  19.80 +/- 1.71   0.009% *  0.2457% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  14.27 +/- 0.62   0.061% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 111  17.72 +/- 1.26   0.018% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  17.92 +/- 0.98   0.016% *  0.0884% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  27.27 +/- 1.31   0.001% *  0.8839% (0.90 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.09 +/- 1.08   0.004% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.4:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.04 +/- 0.33  99.987% * 99.8490% (1.00 10.00   5.62 315.43) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  13.97 +/- 0.55   0.013% *  0.0945% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  24.05 +/- 1.01   0.001% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 315.4:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.60 +/- 0.18  99.989% * 99.7221% (1.00  10.0 10.00   7.98 315.43) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  12.53 +/- 1.12   0.011% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  27.29 +/- 1.39   0.000% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  26.08 +/- 1.52   0.000% *  0.0130% (0.13   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 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 = 315.4:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.71 +/- 0.09  99.360% * 98.9173% (1.00  10.0 10.00   7.31 315.43) = 100.000%  kept
          HB2   LEU   31 - HG3   GLN   30   7.31 +/- 0.67   0.435% *  0.0197% (0.20   1.0  1.00   0.02  51.98) =   0.000%
          HB3   PRO   93 - HB2   LYS+ 111   9.06 +/- 1.25   0.123% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  14.57 +/- 1.17   0.005% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  14.40 +/- 1.64   0.006% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  15.07 +/- 1.13   0.004% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  12.52 +/- 0.83   0.012% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  13.46 +/- 1.29   0.009% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  12.68 +/- 1.59   0.014% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.50 +/- 1.18   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  17.75 +/- 1.07   0.001% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  14.63 +/- 0.81   0.004% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  16.79 +/- 1.10   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  15.70 +/- 1.02   0.003% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  19.20 +/- 2.10   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  16.92 +/- 1.64   0.002% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  14.61 +/- 0.72   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  23.46 +/- 1.65   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  23.74 +/- 1.91   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  28.00 +/- 1.75   0.000% *  0.1988% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  14.35 +/- 0.76   0.005% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  26.83 +/- 1.33   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  18.10 +/- 0.81   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  22.13 +/- 3.13   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.54 +/- 1.69   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.72 +/- 1.72   0.001% *  0.0061% (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 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.4:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   3.00 +/- 0.03  95.137% * 98.4912% (1.00  10.0 10.00   7.29 315.43) =  99.999%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.13 +/- 1.28   1.442% *  0.0370% (0.38   1.0  1.00   0.02  27.98) =   0.001%
          HG    LEU   71 - HG3   GLN   30   6.67 +/- 1.87   2.186% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   7.81 +/- 1.23   0.492% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   7.63 +/- 1.33   0.701% *  0.0039% (0.04   1.0  1.00   0.02   1.77) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  12.33 +/- 1.07   0.024% *  0.0743% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  15.14 +/- 1.41   0.007% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  18.85 +/- 1.34   0.002% *  0.3696% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  24.94 +/- 2.21   0.000% *  0.4049% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  17.64 +/- 1.23   0.003% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  25.99 +/- 1.37   0.000% *  0.1949% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  27.92 +/- 1.47   0.000% *  0.1980% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  16.64 +/- 1.63   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.83 +/- 2.17   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  23.14 +/- 1.41   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  27.53 +/- 2.73   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.4:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.35 +/- 0.43  98.745% * 97.6852% (1.00  10.0 10.00   6.62 315.43) = 100.000%  kept
          HG3   PRO   93 - HB2   LYS+ 111   8.29 +/- 1.58   0.228% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   GLN   30   6.03 +/- 1.02   0.948% *  0.0176% (0.18   1.0  1.00   0.02   4.22) =   0.000%
          HB3   MET   92 - HB2   LYS+ 111  10.08 +/- 1.76   0.030% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  10.48 +/- 1.62   0.029% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  20.70 +/- 1.71   0.000% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  14.84 +/- 0.90   0.003% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  16.03 +/- 0.76   0.002% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  17.33 +/- 1.52   0.001% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  20.13 +/- 1.35   0.000% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.84 +/- 1.17   0.002% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  19.88 +/- 1.49   0.001% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  15.12 +/- 1.67   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  22.84 +/- 1.65   0.000% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.68 +/- 0.84   0.007% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  26.87 +/- 1.68   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  22.38 +/- 1.59   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  18.69 +/- 1.58   0.001% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  28.95 +/- 1.22   0.000% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.47 +/- 1.44   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  23.10 +/- 1.32   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  24.62 +/- 2.47   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.988, support = 6.53, residual support = 310.7:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.18 +/- 0.31  81.389% * 92.1301% (1.00  10.0 10.00   6.62 315.43) =  98.487%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.18 +/- 1.39  18.490% *  6.2279% (0.18   1.0 10.00   0.75   0.17) =   1.513%  kept
          QB    ALA   57 - HB2   LYS+ 111  12.73 +/- 1.88   0.036% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  12.90 +/- 1.46   0.022% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  12.37 +/- 1.18   0.026% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  20.13 +/- 1.35   0.001% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  16.91 +/- 1.00   0.004% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.84 +/- 1.17   0.004% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  27.12 +/- 1.45   0.000% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  18.46 +/- 1.17   0.002% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.68 +/- 0.84   0.021% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.35 +/- 1.83   0.004% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  29.44 +/- 1.15   0.000% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.47 +/- 1.44   0.001% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  24.97 +/- 2.79   0.000% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  21.46 +/- 1.61   0.001% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.4:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.21 +/- 0.73  93.164% * 99.6189% (1.00 10.00   6.06 315.43) =  99.999%  kept
          HB2   CYS   21 - HG3   GLN   30   5.75 +/- 0.95   6.802% *  0.0113% (0.11  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HB2   LYS+ 111  14.59 +/- 1.01   0.020% *  0.0942% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  15.61 +/- 1.14   0.013% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  26.53 +/- 1.27   0.000% *  0.2002% (0.20 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  24.47 +/- 1.22   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 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 = 315.4:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.62 +/- 0.18  99.942% * 99.9354% (1.00  10.0 10.00   7.31 315.43) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  13.06 +/- 1.59   0.058% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.20 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   2.71 +/- 0.09  81.876% * 98.9314% (1.00  10.0 10.00   7.31 315.43) =  99.987%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.06 +/- 1.29  18.116% *  0.0560% (0.57   1.0  1.00   0.02   2.41) =   0.013%
          HB    ILE  119 - HG2   LYS+ 111  13.28 +/- 1.22   0.007% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  28.00 +/- 1.75   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  26.12 +/- 1.30   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  26.25 +/- 2.06   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  26.51 +/- 1.34   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  25.48 +/- 2.77   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  25.54 +/- 1.51   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  31.74 +/- 1.82   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  26.32 +/- 1.81   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.52 +/- 1.77   0.000% *  0.0275% (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 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 = 315.4:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.988% * 98.1828% (1.00  10.0 10.00   6.98 315.43) = 100.000%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.77 +/- 1.47   0.012% *  0.0368% (0.38   1.0  1.00   0.02  27.98) =   0.000%
        T HG12  ILE   89 - HG2   LYS+ 111  14.63 +/- 1.68   0.000% *  0.9731% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  19.67 +/- 1.39   0.000% *  0.3685% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.77 +/- 1.66   0.000% *  0.3349% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.83 +/- 2.27   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.89 +/- 2.26   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  27.07 +/- 1.41   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 = 315.4:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.95 +/- 0.09  99.259% * 97.1375% (1.00  10.0 10.00   6.21 315.43) =  99.999%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  10.16 +/- 2.01   0.100% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG2   LYS+ 111   8.61 +/- 1.59   0.502% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 111   9.76 +/- 1.64   0.132% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  20.61 +/- 1.90   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  20.50 +/- 1.61   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  17.85 +/- 0.99   0.002% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  21.75 +/- 1.47   0.001% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  27.47 +/- 1.82   0.000% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  23.11 +/- 1.87   0.000% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.25 +/- 1.77   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 0.09 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.4:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.35 +/- 0.13  99.992% * 97.8296% (1.00  10.0 10.00   6.21 315.43) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+ 111  13.89 +/- 1.97   0.004% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+ 111  19.35 +/- 1.34   0.000% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  14.21 +/- 1.31   0.002% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  21.75 +/- 1.47   0.000% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  18.76 +/- 0.99   0.000% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  27.83 +/- 1.67   0.000% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.25 +/- 1.77   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.4:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.85 +/- 0.34  99.992% * 99.8490% (1.00  10.0 10.00   5.62 315.43) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.70 +/- 1.43   0.008% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  25.09 +/- 1.40   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 = 315.4:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.48 +/- 0.40  99.982% * 99.8218% (1.00  10.0 10.00   7.31 315.43) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  11.84 +/- 1.85   0.012% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  18.05 +/- 1.21   0.001% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  14.38 +/- 1.03   0.004% *  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 = 315.4:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   3.00 +/- 0.03  90.994% * 98.2440% (1.00  10.0 10.00   7.29 315.43) =  99.994%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.69 +/- 0.72   8.647% *  0.0556% (0.57   1.0  1.00   0.02   2.41) =   0.005%
        T HB    ILE   19 - HG2   LYS+  74   8.63 +/- 1.00   0.221% *  0.0511% (0.05   1.0 10.00   0.02   8.41) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  12.33 +/- 1.07   0.022% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.80 +/- 0.90   0.049% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  13.34 +/- 1.24   0.014% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  18.85 +/- 1.34   0.002% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  25.27 +/- 1.38   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.29 +/- 1.21   0.009% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  27.92 +/- 1.47   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  12.00 +/- 0.73   0.024% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  15.91 +/- 0.82   0.004% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  25.69 +/- 1.36   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.50 +/- 1.26   0.004% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  26.40 +/- 1.30   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  26.24 +/- 2.11   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  18.28 +/- 1.63   0.002% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  25.55 +/- 2.85   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  15.97 +/- 1.41   0.005% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  18.73 +/- 1.30   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  31.55 +/- 1.42   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  26.32 +/- 1.36   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.14 +/- 1.11   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  22.37 +/- 1.30   0.001% *  0.0029% (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 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.4:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  99.131% * 98.9181% (1.00  10.0 10.00   6.98 315.43) = 100.000%  kept
          HB3   ASP-  44 - HG2   LYS+  74   4.79 +/- 1.00   0.819% *  0.0077% (0.08   1.0  1.00   0.02   6.15) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111   8.93 +/- 1.18   0.008% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.11 +/- 0.85   0.028% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  13.58 +/- 1.66   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  10.95 +/- 1.44   0.003% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  10.70 +/- 0.72   0.002% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  15.55 +/- 1.18   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  15.96 +/- 1.03   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  10.18 +/- 1.02   0.003% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  10.67 +/- 1.08   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  13.91 +/- 1.33   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  16.10 +/- 1.24   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  19.67 +/- 1.39   0.000% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  20.30 +/- 1.26   0.000% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  19.52 +/- 1.30   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  19.94 +/- 1.88   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  23.33 +/- 2.13   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.95 +/- 0.68   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  14.43 +/- 0.99   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  14.69 +/- 1.39   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  23.43 +/- 1.02   0.000% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.74 +/- 1.24   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  27.28 +/- 1.14   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.86 +/- 1.76   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.69 +/- 1.38   0.000% *  0.0792% (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 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 = 315.4:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.74 +/- 0.16  98.810% * 96.7411% (1.00  10.0 10.00   5.40 315.43) =  99.999%  kept
          HG3   PRO   93 - HG3   LYS+ 111   7.68 +/- 1.48   0.533% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+ 111  10.91 +/- 1.37   0.032% *  0.7025% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 111   8.94 +/- 1.60   0.182% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   7.13 +/- 0.55   0.372% *  0.0093% (0.10   1.0  1.00   0.02  40.49) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  21.35 +/- 1.49   0.001% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  21.10 +/- 1.19   0.001% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  15.65 +/- 0.89   0.003% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.89 +/- 1.25   0.012% *  0.0160% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  13.27 +/- 1.46   0.012% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  12.61 +/- 1.30   0.014% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.16 +/- 1.18   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  18.22 +/- 1.40   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  21.35 +/- 1.63   0.001% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  20.23 +/- 1.36   0.001% *  0.1034% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  20.39 +/- 1.68   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.35 +/- 0.78   0.023% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.98 +/- 1.35   0.000% *  0.2986% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  22.92 +/- 1.64   0.000% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.90 +/- 1.06   0.000% *  0.0319% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.09 +/- 1.38   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  20.95 +/- 1.60   0.001% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.926, support = 5.41, residual support = 305.0:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.81 +/- 0.23  50.263% * 89.7666% (1.00  10.0 10.00   5.40 315.43) =  91.914%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.82 +/- 0.20  49.535% *  8.0133% (0.09  10.0 10.00   5.54 187.01) =   8.086%  kept
          QB    ALA   57 - HG2   LYS+  74   7.98 +/- 1.43   0.165% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  13.10 +/- 2.14   0.010% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  18.83 +/- 1.34   0.001% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.98 +/- 1.32   0.003% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.89 +/- 1.25   0.007% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  21.35 +/- 1.63   0.000% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.79 +/- 0.86   0.002% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.87 +/- 1.43   0.000% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.04 +/- 1.18   0.001% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  21.05 +/- 1.26   0.000% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.35 +/- 0.78   0.012% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.09 +/- 1.38   0.000% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.39 +/- 1.92   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.14 +/- 1.27   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.4:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.35 +/- 0.58  99.490% * 99.7265% (1.00  10.0 10.00   5.44 315.43) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+  74   7.37 +/- 0.81   0.274% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+  74   7.47 +/- 0.78   0.230% *  0.0060% (0.06   1.0  1.00   0.02  10.10) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  14.34 +/- 1.14   0.005% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  18.53 +/- 1.22   0.001% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  24.80 +/- 1.15   0.000% *  0.0565% (0.57   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 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.4:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   2.88 +/- 0.42  99.972% * 99.4172% (1.00 10.00   6.21 315.43) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  12.74 +/- 1.47   0.024% *  0.0643% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.80 +/- 1.71   0.001% *  0.1523% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  21.86 +/- 1.28   0.001% *  0.2599% (0.26 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  18.70 +/- 1.44   0.002% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  27.82 +/- 1.25   0.000% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.44 +/- 1.68   0.000% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  31.25 +/- 1.01   0.000% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 315.4:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.35 +/- 0.43  85.292% * 97.9440% (1.00  10.0 10.00   6.62 315.43) =  99.998%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.56 +/- 0.93   2.617% *  0.0555% (0.57   1.0  1.00   0.02   2.41) =   0.002%
          HB2   GLN   17 - QD    LYS+  65   6.15 +/- 1.51   2.382% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  38   4.34 +/- 1.35   9.159% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   8.03 +/- 2.08   0.207% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   8.21 +/- 2.05   0.163% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.15 +/- 0.97   0.040% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.01 +/- 1.93   0.085% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  17.33 +/- 1.52   0.001% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.49 +/- 1.20   0.013% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  13.18 +/- 1.07   0.003% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.84 +/- 1.17   0.001% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  20.70 +/- 1.71   0.000% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  14.84 +/- 0.90   0.002% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  20.13 +/- 1.35   0.000% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  13.47 +/- 1.82   0.006% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.10 +/- 2.97   0.001% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.12 +/- 0.96   0.008% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  15.95 +/- 1.33   0.002% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  28.95 +/- 1.22   0.000% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  15.70 +/- 1.14   0.002% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  20.99 +/- 2.96   0.001% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  15.47 +/- 1.66   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  15.01 +/- 1.74   0.003% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  26.34 +/- 1.26   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  20.00 +/- 3.13   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  20.98 +/- 1.71   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  17.43 +/- 0.94   0.001% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  19.59 +/- 2.11   0.000% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.55 +/- 0.78   0.003% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  26.90 +/- 1.19   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  26.43 +/- 2.06   0.000% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  23.46 +/- 2.56   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  26.87 +/- 1.68   0.000% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.58 +/- 1.29   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  17.14 +/- 1.01   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  26.17 +/- 1.25   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  25.68 +/- 2.68   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  20.22 +/- 1.24   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  18.81 +/- 1.97   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  23.71 +/- 1.36   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  32.85 +/- 1.03   0.000% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.20 +/- 0.87   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.34 +/- 0.88   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.67 +/- 1.00   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.42 +/- 1.07   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.07 +/- 1.50   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  20.62 +/- 1.84   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.855, support = 6.14, residual support = 300.4:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.95 +/- 0.09  24.585% * 90.8110% (1.00  10.0 10.00   6.21 315.43) =  84.528%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.43 +/- 0.17  74.660% *  5.4729% (0.06  10.0 10.00   5.75 218.54) =  15.470%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.31 +/- 1.15   0.414% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+ 102   8.79 +/- 1.44   0.054% *  0.2129% (0.23   1.0 10.00   0.02   1.51) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.11 +/- 1.33   0.026% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   7.91 +/- 1.34   0.155% *  0.0106% (0.12   1.0  1.00   0.02   1.82) =   0.000%
        T HG2   LYS+  38 - QD    LYS+ 102  12.42 +/- 2.31   0.008% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.63 +/- 0.59   0.043% *  0.0116% (0.13   1.0  1.00   0.02   1.18) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  12.29 +/- 1.58   0.008% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  14.70 +/- 1.69   0.002% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  20.61 +/- 1.90   0.000% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.41 +/- 0.99   0.001% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.59 +/- 1.21   0.001% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.13 +/- 1.09   0.000% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.26 +/- 1.28   0.000% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  13.50 +/- 2.07   0.004% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.53 +/- 0.93   0.004% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.18 +/- 0.71   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  15.37 +/- 3.77   0.007% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.27 +/- 1.15   0.004% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.75 +/- 1.47   0.000% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.13 +/- 1.26   0.002% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.34 +/- 1.13   0.001% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.30 +/- 1.41   0.007% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.09 +/- 1.05   0.000% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.81 +/- 1.33   0.000% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.46 +/- 2.33   0.001% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  17.13 +/- 2.26   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.63 +/- 1.62   0.001% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.24 +/- 1.20   0.000% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.10 +/- 1.64   0.001% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.72 +/- 1.46   0.000% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  19.06 +/- 1.65   0.000% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.74 +/- 1.77   0.000% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  16.23 +/- 1.23   0.001% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.31 +/- 0.97   0.000% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  17.03 +/- 1.35   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.82 +/- 1.58   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.06 +/- 1.15   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.47 +/- 1.82   0.000% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.01 +/- 1.29   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.96 +/- 0.99   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.78 +/- 1.11   0.000% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.53 +/- 0.90   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.48 +/- 0.89   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  20.06 +/- 0.75   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.76 +/- 0.87   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.76 +/- 0.96   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.77 +/- 1.03   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  21.12 +/- 1.00   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  21.23 +/- 0.61   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.90 +/- 1.04   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.4:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.74 +/- 0.16  98.394% * 98.1177% (1.00  10.0 10.00   5.40 315.43) =  99.999%  kept
        T HG3   LYS+  99 - QD    LYS+ 102   8.54 +/- 1.53   0.253% *  0.0875% (0.09   1.0 10.00   0.02   1.51) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   6.85 +/- 1.10   0.719% *  0.0252% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD2   LYS+ 111   7.64 +/- 1.36   0.454% *  0.0368% (0.38   1.0  1.00   0.02  27.98) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.89 +/- 1.25   0.012% *  0.0564% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  14.84 +/- 2.38   0.037% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  15.96 +/- 1.66   0.004% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.23 +/- 1.36   0.001% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  21.35 +/- 1.49   0.001% *  0.2565% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  15.58 +/- 2.37   0.010% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.11 +/- 1.13   0.029% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.16 +/- 1.46   0.032% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  15.61 +/- 1.75   0.004% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  21.35 +/- 1.63   0.001% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  20.39 +/- 1.68   0.001% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.64 +/- 1.42   0.023% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.22 +/- 1.11   0.010% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.80 +/- 1.01   0.000% *  0.3347% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.74 +/- 1.46   0.009% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.68 +/- 1.40   0.001% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  17.28 +/- 3.06   0.003% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.90 +/- 1.06   0.000% *  0.0277% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  25.62 +/- 1.94   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  21.40 +/- 1.00   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.98 +/- 1.35   0.000% *  0.0738% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.71 +/- 1.97   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  21.02 +/- 2.22   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.45 +/- 1.13   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  24.41 +/- 1.65   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  17.78 +/- 1.54   0.002% *  0.0015% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.66 +/- 1.38   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  28.69 +/- 2.39   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 0.13 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 = 315.4:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.23 +/- 0.08  99.996% * 99.2899% (1.00  10.0 10.00   4.97 315.43) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  15.69 +/- 0.97   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  20.31 +/- 1.61   0.000% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.86 +/- 1.57   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.48 +/- 1.33   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.46 +/- 1.28   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.41 +/- 0.93   0.000% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  18.97 +/- 1.40   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  26.20 +/- 1.52   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  25.94 +/- 1.32   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  18.63 +/- 0.57   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  22.32 +/- 0.75   0.000% *  0.0071% (0.07   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 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.4:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.11 +/- 0.25  99.883% * 98.7339% (1.00 10.00   6.21 315.43) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  13.78 +/- 1.63   0.092% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.80 +/- 1.71   0.009% *  0.2444% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  27.27 +/- 1.31   0.001% *  0.8848% (0.90 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  18.70 +/- 1.44   0.013% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  27.08 +/- 1.27   0.001% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 315.0:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.18 +/- 0.31  63.011% * 96.6565% (1.00  10.0 10.00   6.62 315.43) =  99.877%  kept
        T HG3   GLN   30 - QD    LYS+  33   5.18 +/- 1.39  15.567% *  0.4216% (0.44   1.0 10.00   0.02   0.17) =   0.108%
          QB    GLU- 114 - HD3   LYS+ 111   4.70 +/- 1.10  10.908% *  0.0547% (0.57   1.0  1.00   0.02   2.41) =   0.010%
          QB    GLU-  15 - QD    LYS+  33   7.71 +/- 2.12   1.797% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - QD    LYS+  65   6.15 +/- 1.51   3.254% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QD    LYS+  33   5.59 +/- 1.07   3.875% *  0.0193% (0.20   1.0  1.00   0.02   0.17) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   8.03 +/- 2.08   0.720% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  33   8.34 +/- 1.30   0.297% *  0.0422% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.15 +/- 0.97   0.142% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.01 +/- 1.93   0.271% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  12.10 +/- 1.36   0.026% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  12.78 +/- 1.46   0.018% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  14.50 +/- 2.24   0.011% *  0.0751% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  12.31 +/- 1.17   0.021% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.49 +/- 1.20   0.031% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.84 +/- 1.17   0.003% *  0.1165% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  20.13 +/- 1.35   0.001% *  0.2393% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  14.97 +/- 1.87   0.007% *  0.0356% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  14.09 +/- 1.15   0.008% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  27.12 +/- 1.45   0.000% *  0.8662% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.12 +/- 0.96   0.023% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  29.44 +/- 1.15   0.000% *  0.4705% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  17.43 +/- 0.94   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  22.49 +/- 1.12   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.58 +/- 1.29   0.003% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  21.01 +/- 1.83   0.001% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  27.29 +/- 2.03   0.000% *  0.0838% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  27.37 +/- 1.27   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  27.62 +/- 1.17   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  26.49 +/- 2.68   0.000% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  26.93 +/- 1.23   0.000% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  23.71 +/- 1.36   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  33.17 +/- 1.09   0.000% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.07 +/- 1.50   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.63 +/- 1.24   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  27.75 +/- 1.12   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.4:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.35 +/- 0.13  99.798% * 96.9774% (1.00  10.0 10.00   6.21 315.43) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   8.23 +/- 0.70   0.080% *  0.0861% (0.89   1.0  1.00   0.02   0.56) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33  10.10 +/- 0.80   0.018% *  0.0696% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.63 +/- 0.59   0.053% *  0.0201% (0.21   1.0  1.00   0.02   1.18) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  10.96 +/- 1.19   0.015% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  12.99 +/- 0.96   0.004% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.02 +/- 1.23   0.005% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  15.95 +/- 1.35   0.001% *  0.0802% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  14.36 +/- 1.54   0.002% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  15.45 +/- 1.15   0.002% *  0.0631% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.53 +/- 0.93   0.005% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.26 +/- 1.28   0.000% *  0.2153% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.71 +/- 1.40   0.001% *  0.0726% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  17.35 +/- 1.03   0.001% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.27 +/- 1.15   0.004% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  17.35 +/- 1.11   0.001% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  18.97 +/- 3.53   0.001% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.75 +/- 1.47   0.000% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  27.83 +/- 1.67   0.000% *  0.8690% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.81 +/- 1.33   0.000% *  0.1922% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  16.91 +/- 1.04   0.001% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.43 +/- 0.96   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  15.48 +/- 1.13   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  19.57 +/- 1.09   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  19.38 +/- 0.78   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.65 +/- 0.94   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.74 +/- 1.82   0.000% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  16.23 +/- 1.23   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  25.02 +/- 1.77   0.000% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  25.18 +/- 1.38   0.000% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.82 +/- 1.58   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.06 +/- 1.15   0.000% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.99 +/- 1.48   0.000% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.78 +/- 1.11   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.53 +/- 0.90   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.43 +/- 1.11   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.48 +/- 0.89   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.76 +/- 0.87   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  32.35 +/- 1.45   0.000% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.4:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.81 +/- 0.23  91.527% * 97.4498% (1.00  10.0 10.00   5.40 315.43) =  99.997%  kept
          HG    LEU   71 - QD    LYS+  33   5.60 +/- 2.18   6.476% *  0.0359% (0.37   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   71 - QD    LYS+  33   6.57 +/- 1.77   1.488% *  0.0392% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HD3   LYS+ 111   9.06 +/- 1.42   0.139% *  0.0366% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          HG13  ILE   19 - QD    LYS+  33   8.58 +/- 1.52   0.270% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  14.98 +/- 1.32   0.005% *  0.3277% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.89 +/- 1.25   0.014% *  0.0905% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  15.96 +/- 1.41   0.004% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  13.93 +/- 1.21   0.008% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  21.05 +/- 1.26   0.001% *  0.3657% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.16 +/- 1.46   0.040% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  21.35 +/- 1.63   0.001% *  0.2412% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.22 +/- 1.11   0.011% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.74 +/- 1.46   0.010% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  27.87 +/- 1.43   0.000% *  0.8733% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.68 +/- 1.40   0.001% *  0.0823% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  19.72 +/- 0.97   0.001% *  0.0866% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  17.28 +/- 3.06   0.003% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  21.40 +/- 1.00   0.001% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  26.15 +/- 1.96   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.81 +/- 1.31   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  27.25 +/- 1.96   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  27.26 +/- 2.34   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  28.47 +/- 1.29   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 = 315.4:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.54 +/- 0.07  99.939% * 98.5534% (1.00  10.0 10.00   4.97 315.43) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33   9.74 +/- 1.44   0.054% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  16.13 +/- 0.83   0.002% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.86 +/- 1.57   0.000% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  26.28 +/- 1.24   0.000% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  18.07 +/- 1.08   0.001% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.46 +/- 1.28   0.002% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.41 +/- 0.93   0.001% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  26.53 +/- 1.13   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 = 315.4:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.04 +/- 0.33  99.928% * 99.9354% (1.00 10.00   5.62 315.43) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111  11.11 +/- 1.57   0.072% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.4:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.21 +/- 0.73  89.196% * 98.9314% (1.00 10.00   6.06 315.43) =  99.993%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.06 +/- 1.29  10.763% *  0.0560% (0.57  1.00   0.02   2.41) =   0.007%
          HB    ILE  119 - QE    LYS+ 111  12.79 +/- 1.33   0.035% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  26.53 +/- 1.27   0.000% *  0.4816% (0.49 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  24.17 +/- 1.34   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  24.48 +/- 1.99   0.001% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  24.76 +/- 1.25   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  23.85 +/- 2.57   0.001% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  24.04 +/- 1.23   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  29.80 +/- 1.03   0.000% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  25.13 +/- 0.98   0.001% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.55 +/- 1.25   0.000% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.4:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.85 +/- 0.34  99.831% * 99.2615% (1.00  10.0 10.00   5.62 315.43) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.46 +/- 1.12   0.117% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  13.28 +/- 1.58   0.018% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  15.49 +/- 1.28   0.006% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  15.45 +/- 0.87   0.005% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  13.63 +/- 1.09   0.012% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  15.61 +/- 1.05   0.005% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  17.86 +/- 1.41   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.38 +/- 1.53   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  22.42 +/- 1.83   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.45 +/- 1.33   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  26.01 +/- 0.98   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  29.72 +/- 1.51   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.4:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.35 +/- 0.58  97.435% * 99.3524% (1.00  10.0 10.00   5.44 315.43) =  99.999%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   6.95 +/- 1.62   2.560% *  0.0373% (0.38   1.0  1.00   0.02  27.98) =   0.001%
        T HG2   LYS+  74 - QE    LYS+ 111  18.53 +/- 1.22   0.001% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  14.63 +/- 1.40   0.003% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  23.76 +/- 1.88   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.16 +/- 1.24   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.68 +/- 1.85   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  25.33 +/- 1.27   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.4:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.23 +/- 0.08  99.895% * 98.3525% (1.00  10.0 10.00   4.97 315.43) = 100.000%  kept
          HG3   PRO   93 - QE    LYS+ 111   8.24 +/- 1.25   0.064% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 111   9.27 +/- 1.31   0.030% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  11.01 +/- 1.28   0.010% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  20.31 +/- 1.61   0.000% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  16.81 +/- 1.30   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.86 +/- 1.57   0.000% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.01 +/- 1.26   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  26.20 +/- 1.52   0.000% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  22.06 +/- 1.37   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.34 +/- 1.00   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 = 315.4:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.54 +/- 0.07  99.981% * 98.5544% (1.00  10.0 10.00   4.97 315.43) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  12.47 +/- 1.95   0.013% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.86 +/- 1.57   0.000% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  14.23 +/- 1.48   0.004% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  17.55 +/- 1.36   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  26.28 +/- 1.24   0.000% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  18.28 +/- 1.10   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.34 +/- 1.00   0.000% *  0.0195% (0.20   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 1418 (3.06, 3.06, 42.92 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 111 - QE    LYS+ 111  (1.00)  kept
 
    Peak 1419 (3.46, 3.46, 61.33 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 112 - HA    LYS+ 112  (1.00)  kept
 
    Peak 1420 (1.37, 3.46, 61.33 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 232.0:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.88 +/- 0.15  97.715% * 98.3538% (1.00  10.0 10.00   6.00 232.04) =  99.999%  kept
          HB3   PRO   93 - HA    LYS+ 112   7.49 +/- 1.70   2.247% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HA    LYS+ 112  17.31 +/- 1.64   0.003% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.55 +/- 0.59   0.006% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  17.19 +/- 2.10   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  12.77 +/- 1.20   0.016% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  16.90 +/- 1.20   0.003% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  19.74 +/- 1.46   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.22 +/- 1.21   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.18 +/- 1.53   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.34 +/- 0.87   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.20 +/- 1.85   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  27.96 +/- 1.49   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  28.25 +/- 1.71   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 = 232.0:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.20 +/- 0.58  99.890% * 99.8441% (1.00  10.0 10.00   6.08 232.04) = 100.000%  kept
          QB    ALA   47 - HA    LYS+ 112  12.36 +/- 1.51   0.065% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HA    LYS+ 112  12.65 +/- 1.30   0.045% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.0:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   2.85 +/- 0.63  99.801% * 99.8009% (1.00  10.0 10.00   5.76 232.04) = 100.000%  kept
          HG    LEU   63 - HA    LYS+ 112  11.54 +/- 1.90   0.082% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112   9.83 +/- 0.55   0.112% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  17.12 +/- 1.07   0.004% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  22.14 +/- 1.27   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 0.05 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.828, support = 6.01, residual support = 232.0:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.60 +/- 0.25  77.801% * 43.2573% (0.76  10.0 10.00   6.21 232.04) =  73.144%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   3.88 +/- 0.98  21.830% * 56.6026% (1.00   1.0 10.00   5.47 232.04) =  26.855%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.41 +/- 0.44   0.348% *  0.0212% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          QG2   THR   94 - HA    LYS+ 112  10.72 +/- 0.82   0.018% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  15.85 +/- 1.33   0.002% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  21.80 +/- 2.37   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 232.0:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.88 +/- 0.15  99.499% * 98.8850% (1.00  10.0 10.00   6.00 232.04) = 100.000%  kept
          HB2   HIS  122 - HB    VAL   42   9.75 +/- 2.40   0.481% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  17.31 +/- 1.64   0.003% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  13.77 +/- 1.21   0.010% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  15.86 +/- 1.72   0.006% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  17.55 +/- 1.32   0.002% *  0.0887% (0.90   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 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 = 0.782, support = 5.0, residual support = 126.4:
      O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.02  79.909% * 40.6012% (0.70  10.0 10.00   4.38  88.74) =  73.692%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.72 +/- 0.24  20.088% * 57.6594% (1.00  10.0 10.00   6.74 232.04) =  26.308%  kept
        T QB    ALA   47 - HB2   LYS+ 112  13.43 +/- 1.44   0.002% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  14.76 +/- 1.34   0.001% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.47 +/- 0.31   0.001% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  19.34 +/- 2.24   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 = 232.0:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.71 +/- 0.29  99.566% * 98.8037% (1.00  10.0 10.00   5.76 232.04) = 100.000%  kept
          HG    LEU   63 - HB    VAL   42   8.46 +/- 2.12   0.283% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   9.53 +/- 1.11   0.088% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  13.59 +/- 2.16   0.017% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  19.15 +/- 2.03   0.001% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.56 +/- 0.66   0.020% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  13.12 +/- 0.74   0.010% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  12.44 +/- 0.45   0.013% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.55 +/- 0.89   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  24.13 +/- 1.20   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.775, support = 6.21, residual support = 232.0:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  94.589% * 42.8460% (0.76  10.0 10.00   6.21 232.04) =  95.326%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.34 +/- 0.54   3.543% * 56.0644% (1.00  10.0 10.00   6.17 232.04) =   4.672%  kept
          HB3   LEU   71 - HB    VAL   42   5.03 +/- 0.77   1.827% *  0.0468% (0.84   1.0  1.00   0.02   5.43) =   0.002%
          HG3   LYS+ 111 - HB2   LYS+ 112   6.76 +/- 0.59   0.038% *  0.0210% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          QG2   THR   94 - HB    VAL   42  10.63 +/- 0.46   0.002% *  0.0378% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  19.79 +/- 2.68   0.000% *  0.4726% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  12.63 +/- 0.75   0.001% *  0.0449% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  19.38 +/- 1.89   0.000% *  0.3612% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  14.42 +/- 0.47   0.000% *  0.0146% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  18.03 +/- 1.25   0.000% *  0.0173% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  24.29 +/- 2.38   0.000% *  0.0556% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  20.24 +/- 1.36   0.000% *  0.0177% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 232.0:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.20 +/- 0.58  99.967% * 99.8459% (1.00  10.0 10.00   6.08 232.04) = 100.000%  kept
          HB    THR   46 - HG2   LYS+ 112  14.79 +/- 2.41   0.028% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG2   LYS+ 112  17.56 +/- 1.78   0.005% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 232.0:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.72 +/- 0.24  99.730% * 98.3538% (1.00  10.0 10.00   6.74 232.04) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112   9.00 +/- 2.04   0.250% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  19.34 +/- 2.24   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  17.78 +/- 3.05   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  17.23 +/- 0.91   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  14.35 +/- 1.98   0.009% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  18.00 +/- 1.71   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  21.31 +/- 2.14   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.44 +/- 1.71   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  20.51 +/- 1.17   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.60 +/- 1.79   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  26.81 +/- 2.05   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  29.85 +/- 1.98   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  29.04 +/- 2.30   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 232.0:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.997% * 99.8009% (1.00  10.0 10.00   6.98 232.04) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  13.08 +/- 2.58   0.002% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.80 +/- 0.87   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  19.73 +/- 1.35   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  23.56 +/- 1.71   0.000% *  0.0605% (0.61   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 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.856, support = 6.81, residual support = 232.0:
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.54 +/- 0.24  67.360% * 43.2573% (0.76  10.0 10.00   6.98 232.04) =  61.277%  kept
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.89 +/- 0.20  32.531% * 56.6026% (1.00  10.0 10.00   6.54 232.04) =  38.723%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.81 +/- 0.68   0.102% *  0.0212% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  12.48 +/- 1.17   0.006% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  17.69 +/- 1.56   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  23.67 +/- 2.95   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 = 232.0:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   2.85 +/- 0.63  99.987% * 99.8459% (1.00  10.0 10.00   5.76 232.04) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  14.52 +/- 2.45   0.010% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  17.55 +/- 1.51   0.003% *  0.0895% (0.90   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 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.0:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.71 +/- 0.29  98.354% * 98.3538% (1.00  10.0 10.00   5.76 232.04) =  99.999%  kept
          HB3   PRO   93 - HG3   LYS+ 112   8.37 +/- 2.32   1.623% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HG3   LYS+ 112  19.15 +/- 2.03   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  16.61 +/- 0.87   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  18.09 +/- 2.53   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  14.06 +/- 2.03   0.010% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  17.53 +/- 1.84   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  21.09 +/- 1.97   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.61 +/- 1.61   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  20.14 +/- 1.12   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  21.16 +/- 1.70   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  26.37 +/- 2.02   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  29.68 +/- 1.82   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  29.20 +/- 2.17   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 = 232.0:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.998% * 99.8441% (1.00  10.0 10.00   6.98 232.04) = 100.000%  kept
          QB    ALA   47 - HG3   LYS+ 112  12.32 +/- 2.11   0.002% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HG3   LYS+ 112  14.13 +/- 1.63   0.001% *  0.0834% (0.84   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 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 = 0.946, support = 5.67, residual support = 232.0:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.40 +/- 0.10  71.793% * 56.6026% (1.00  10.0 10.00   5.56 232.04) =  77.027%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.83 +/- 0.19  28.017% * 43.2573% (0.76  10.0  1.00   6.03 232.04) =  22.973%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.10 +/- 0.74   0.182% *  0.0212% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  11.89 +/- 1.31   0.007% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  17.02 +/- 1.90   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  23.54 +/- 2.59   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.47, residual support = 232.0:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   3.88 +/- 0.98  99.887% * 99.8459% (1.00 10.00   5.47 232.04) = 100.000%  kept
          HB    THR   46 - HD2   LYS+ 112  15.02 +/- 2.48   0.098% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HD2   LYS+ 112  18.13 +/- 2.30   0.016% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 232.0:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.34 +/- 0.54  98.733% * 98.3538% (1.00  10.0 10.00   6.17 232.04) =  99.999%  kept
          HB3   PRO   93 - HD2   LYS+ 112   9.24 +/- 2.26   1.186% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HD2   LYS+ 112  19.79 +/- 2.68   0.005% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  18.36 +/- 3.48   0.012% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  17.46 +/- 1.43   0.007% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  14.73 +/- 2.30   0.033% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  18.00 +/- 2.07   0.009% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  21.71 +/- 2.37   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  17.89 +/- 1.98   0.008% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  20.80 +/- 1.54   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  21.95 +/- 1.98   0.002% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  27.14 +/- 2.03   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  30.25 +/- 2.34   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  29.47 +/- 2.43   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.54, residual support = 232.0:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.89 +/- 0.20  99.960% * 99.8441% (1.00  10.0 10.00   6.54 232.04) = 100.000%  kept
          QB    ALA   47 - HD2   LYS+ 112  12.63 +/- 2.15   0.029% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD2   LYS+ 112  14.68 +/- 2.15   0.012% *  0.0834% (0.84   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 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 232.0:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.40 +/- 0.10  99.979% * 99.8009% (1.00  10.0 10.00   5.56 232.04) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  13.75 +/- 3.07   0.010% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  11.84 +/- 1.18   0.010% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  20.14 +/- 1.85   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  23.67 +/- 2.15   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 14.2:
    * O T QB    ASP- 113 - HA    ASP- 113   2.50 +/- 0.08 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.25) = 100.000%  kept
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.2:
    * O T HA    ASP- 113 - QB    ASP- 113   2.50 +/- 0.08  99.963% * 99.1713% (1.00  10.0 10.00   2.00  14.25) = 100.000%  kept
        T HA    PHE   59 - QB    ASP- 113  11.51 +/- 1.03   0.012% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    ASP- 113  10.77 +/- 1.38   0.022% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  14.90 +/- 0.55   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.67 +/- 0.56   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.12 +/- 0.78   0.000% *  0.0681% (0.69   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 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 = 0.936, support = 3.23, residual support = 48.7:
    * O T QB    GLU- 114 - HA    GLU- 114   2.26 +/- 0.13  74.745% * 63.8790% (0.97  10.0 10.00   3.13  44.18) =  96.253%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.82 +/- 0.18  21.676% *  6.0284% (0.09  10.0 10.00   6.19 227.29) =   2.634%  kept
        T QB    GLU- 114 - HA    LEU  115   4.39 +/- 0.38   1.874% * 29.3979% (0.44   1.0 10.00   4.79  16.00) =   1.111%  kept
          HB2   LYS+ 111 - HA    GLU- 114   5.05 +/- 1.28   1.199% *  0.0481% (0.73   1.0  1.00   0.02   2.41) =   0.001%
        T HB2   LEU  115 - HA    GLU- 114   5.64 +/- 0.12   0.313% *  0.1310% (0.20   1.0 10.00   0.02  16.00) =   0.001%
          HB2   LYS+ 111 - HA    LEU  115   6.44 +/- 0.99   0.185% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  12.00 +/- 1.07   0.004% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.87 +/- 2.56   0.001% *  0.0264% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  15.28 +/- 1.14   0.001% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.39 +/- 2.58   0.000% *  0.0574% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.04 +/- 1.04   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  19.19 +/- 0.66   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  19.92 +/- 1.10   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.35 +/- 1.12   0.000% *  0.0611% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.63 +/- 1.77   0.000% *  0.0125% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  23.21 +/- 1.22   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  21.36 +/- 2.03   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  23.43 +/- 0.77   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  27.48 +/- 0.81   0.000% *  0.0288% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  31.44 +/- 1.04   0.000% *  0.0626% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.10 +/- 1.32   0.000% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  26.07 +/- 1.40   0.000% *  0.0090% (0.14   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 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.857, support = 3.66, residual support = 36.8:
    * O T QG    GLU- 114 - HA    GLU- 114   3.06 +/- 0.37  56.456% * 68.1764% (1.00  10.0 10.00   3.41  44.18) =  73.829%  kept
        T QG    GLU- 114 - HA    LEU  115   3.83 +/- 1.27  43.485% * 31.3756% (0.46   1.0 10.00   4.35  16.00) =  26.171%  kept
          HG2   MET   92 - HA    LEU  115  12.01 +/- 1.90   0.031% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU- 114  14.42 +/- 1.78   0.008% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  13.90 +/- 2.15   0.017% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  16.76 +/- 1.95   0.003% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  21.70 +/- 1.42   0.000% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  25.90 +/- 1.54   0.000% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.36 +/- 1.25   0.000% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  28.35 +/- 1.54   0.000% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  33.07 +/- 1.11   0.000% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  29.19 +/- 0.85   0.000% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  33.79 +/- 2.00   0.000% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  30.65 +/- 1.81   0.000% *  0.0107% (0.16   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 = 0.959, support = 3.16, residual support = 43.7:
    * O T HA    GLU- 114 - QB    GLU- 114   2.26 +/- 0.13  97.309% * 59.0968% (0.97  10.0 10.00   3.13  44.18) =  98.142%  kept
        T HA    LEU  115 - QB    GLU- 114   4.39 +/- 0.38   2.682% * 40.5940% (0.66   1.0 10.00   4.79  16.00) =   1.858%  kept
        T HA    ARG+  54 - QB    GLU- 114  14.58 +/- 0.87   0.002% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QB    GLU- 114  11.78 +/- 1.06   0.007% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  19.63 +/- 1.12   0.000% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.12 +/- 0.82   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.01 +/- 1.24   0.000% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.28 +/- 1.13   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 = 3.61, residual support = 44.2:
    * O T QG    GLU- 114 - QB    GLU- 114   2.10 +/- 0.04  99.992% * 99.1187% (0.96  10.0 10.00   3.61  44.18) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  11.20 +/- 1.58   0.006% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  13.61 +/- 1.80   0.002% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  21.92 +/- 1.66   0.000% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  28.51 +/- 1.35   0.000% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  27.96 +/- 1.07   0.000% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  30.63 +/- 1.89   0.000% *  0.0339% (0.33   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 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.89, support = 3.74, residual support = 34.4:
    * O T HA    GLU- 114 - QG    GLU- 114   3.06 +/- 0.37  56.474% * 59.1519% (1.00  10.0 10.00   3.41  44.18) =  65.406%  kept
        T HA    LEU  115 - QG    GLU- 114   3.83 +/- 1.27  43.484% * 40.6319% (0.69   1.0 10.00   4.35  16.00) =  34.594%  kept
          HA    CYS   53 - QG    GLU- 114  11.00 +/- 1.31   0.033% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.81 +/- 1.23   0.008% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.54 +/- 0.87   0.001% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  21.82 +/- 1.07   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.51 +/- 0.88   0.000% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.69 +/- 0.92   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.96, support = 3.59, residual support = 43.7:
    * O T QB    GLU- 114 - QG    GLU- 114   2.10 +/- 0.04  75.194% * 94.9263% (0.96  10.0 10.00   3.61  44.18) =  98.885%  kept
          HB2   LYS+ 111 - QG    GLU- 114   2.99 +/- 0.94  21.646% *  3.7145% (0.72   1.0  1.00   1.04   2.41) =   1.114%  kept
          HB2   LEU  115 - QG    GLU- 114   4.34 +/- 1.24   3.158% *  0.0195% (0.20   1.0  1.00   0.02  16.00) =   0.001%
          HG3   PRO   58 - QG    GLU- 114  13.36 +/- 1.71   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  26.48 +/- 1.09   0.000% *  0.9305% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  19.16 +/- 2.36   0.000% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  20.12 +/- 0.98   0.000% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  20.66 +/- 1.13   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  20.78 +/- 0.98   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.95 +/- 1.74   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  22.33 +/- 1.46   0.000% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1456 (2.31, 2.31, 37.32 ppm):
    1 diagonal assignment:
    *     QG    GLU- 114 - QG    GLU- 114  (1.00)  kept
 
    Peak 1457 (4.12, 4.12, 59.41 ppm):
    3 diagonal assignments:
    *     HA    LEU  115 - HA    LEU  115  (0.70)  kept
          HA    ARG+  54 - HA    ARG+  54  (0.43)  kept
          HA    GLU- 114 - HA    GLU- 114  (0.08)  kept
 
    Peak 1458 (1.98, 4.12, 59.41 ppm):
    24 chemical-shift based assignments, quality = 0.585, support = 5.4, residual support = 180.9:
    * O T HB2   LEU  115 - HA    LEU  115   2.82 +/- 0.18  17.132% * 63.8902% (0.84  10.0 10.00   6.19 227.29) =  65.851%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.26 +/- 0.13  57.974% *  5.3954% (0.07  10.0 10.00   3.13  44.18) =  18.818%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.71 +/- 0.30  22.749% *  9.9598% (0.13  10.0  1.00   4.76 166.11) =  13.631%  kept
        T QB    GLU- 114 - HA    LEU  115   4.39 +/- 0.38   1.430% * 19.7195% (0.26   1.0 10.00   4.79  16.00) =   1.696%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.64 +/- 0.12   0.243% *  0.1748% (0.23   1.0 10.00   0.02  16.00) =   0.003%
          HG3   PRO   58 - HA    ARG+  54   7.15 +/- 1.63   0.458% *  0.0357% (0.47   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HA    ARG+  54  11.62 +/- 0.81   0.004% *  0.3582% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  12.00 +/- 1.07   0.003% *  0.0637% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  14.58 +/- 0.87   0.001% *  0.1106% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  14.09 +/- 1.33   0.001% *  0.0512% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  13.54 +/- 1.54   0.002% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  15.56 +/- 0.93   0.001% *  0.0336% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.76 +/- 0.81   0.001% *  0.0178% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  15.28 +/- 1.14   0.001% *  0.0174% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.87 +/- 2.56   0.000% *  0.0286% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  18.95 +/- 1.30   0.000% *  0.0287% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  17.24 +/- 1.66   0.000% *  0.0140% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.04 +/- 1.04   0.000% *  0.0240% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  18.24 +/- 1.90   0.000% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.39 +/- 2.58   0.000% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  19.99 +/- 1.08   0.000% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  18.14 +/- 0.77   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  22.96 +/- 1.63   0.000% *  0.0161% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.35 +/- 1.12   0.000% *  0.0066% (0.09   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 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.397, support = 6.26, residual support = 227.3:
      O T HB3   LEU  115 - HA    LEU  115   2.42 +/- 0.25  85.658% * 25.2077% (0.26  10.0 10.00   6.33 227.29) =  70.128%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.63 +/- 0.45  12.982% * 70.8443% (0.72  10.0 10.00   6.09 227.29) =  29.870%  kept
        T HG    LEU  115 - HA    GLU- 114   6.92 +/- 0.80   0.183% *  0.1938% (0.20   1.0 10.00   0.02  16.00) =   0.001%
        T HB3   LEU  115 - HA    GLU- 114   6.20 +/- 0.33   0.386% *  0.0690% (0.07   1.0 10.00   0.02  16.00) =   0.001%
          QB    ALA  120 - HA    LEU  115   7.32 +/- 0.53   0.124% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  10.89 +/- 1.32   0.018% *  0.3972% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU- 114   6.87 +/- 0.37   0.189% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   8.01 +/- 1.10   0.105% *  0.0182% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   8.04 +/- 2.04   0.309% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  15.64 +/- 1.39   0.002% *  0.8095% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  11.32 +/- 0.89   0.009% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  14.26 +/- 1.45   0.004% *  0.2521% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  14.65 +/- 2.15   0.002% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  12.35 +/- 2.09   0.018% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  18.32 +/- 1.04   0.001% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  19.01 +/- 0.56   0.000% *  0.2786% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  16.72 +/- 1.09   0.001% *  0.0690% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  15.78 +/- 0.93   0.001% *  0.0495% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  22.71 +/- 1.54   0.000% *  0.4539% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  20.35 +/- 2.01   0.000% *  0.1883% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  16.30 +/- 0.90   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.80 +/- 1.05   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  22.17 +/- 1.74   0.000% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  15.37 +/- 1.34   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  22.54 +/- 0.71   0.000% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  17.81 +/- 1.79   0.001% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  17.41 +/- 2.30   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  20.40 +/- 1.00   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  19.96 +/- 1.08   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.55 +/- 1.03   0.000% *  0.0062% (0.06   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 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.829, support = 6.17, residual support = 225.1:
    *   T QD1   LEU  115 - HA    LEU  115   3.34 +/- 0.80  95.080% * 78.0672% (0.84 10.00   6.19 227.29) =  98.959%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.42 +/- 0.57   3.631% * 21.3596% (0.23 10.00   4.45  16.00) =   1.034%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.40 +/- 1.20   1.105% *  0.4377% (0.47 10.00   0.02   0.02) =   0.006%
          QG1   VAL   75 - HA    ARG+  54  12.60 +/- 1.71   0.141% *  0.0414% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    LEU  115  13.94 +/- 0.93   0.034% *  0.0738% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  17.34 +/- 1.02   0.009% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.806, support = 7.4, residual support = 227.3:
    *   T QD2   LEU  115 - HA    LEU  115   2.77 +/- 0.46  95.937% * 98.3778% (0.81 10.00   7.40 227.29) =  99.994%  kept
        T QD2   LEU  115 - HA    GLU- 114   6.03 +/- 0.38   1.223% *  0.2692% (0.22 10.00   0.02  16.00) =   0.003%
          QD1   LEU   63 - HA    LEU  115   6.15 +/- 0.96   1.873% *  0.0964% (0.79  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HA    ARG+  54   9.34 +/- 0.94   0.102% *  0.5516% (0.45 10.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    LEU  115   7.48 +/- 1.23   0.556% *  0.0383% (0.31  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    GLU- 114   9.25 +/- 1.26   0.122% *  0.0264% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  12.12 +/- 1.20   0.023% *  0.0779% (0.64  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  11.29 +/- 0.72   0.032% *  0.0541% (0.44  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114  10.02 +/- 1.43   0.081% *  0.0105% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  14.92 +/- 0.60   0.005% *  0.0964% (0.79  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  12.94 +/- 0.51   0.014% *  0.0213% (0.17  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  15.88 +/- 2.08   0.005% *  0.0541% (0.44  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  13.22 +/- 1.21   0.011% *  0.0215% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  16.09 +/- 1.78   0.004% *  0.0541% (0.44  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  17.62 +/- 1.05   0.002% *  0.0964% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  16.84 +/- 1.05   0.003% *  0.0315% (0.26  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  17.30 +/- 1.80   0.002% *  0.0176% (0.14  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  18.26 +/- 0.65   0.002% *  0.0264% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  20.82 +/- 1.79   0.001% *  0.0437% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  20.98 +/- 1.08   0.001% *  0.0264% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  19.76 +/- 1.23   0.001% *  0.0086% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.19, residual support = 227.3:
    * O T HA    LEU  115 - HB2   LEU  115   2.82 +/- 0.18  98.348% * 98.0930% (0.84  10.0 10.00   6.19 227.29) =  99.993%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.64 +/- 0.12   1.625% *  0.4006% (0.34   1.0 10.00   0.02  16.00) =   0.007%
        T HA    ARG+  54 - HB2   LEU  115  11.62 +/- 0.81   0.024% *  1.0841% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  17.83 +/- 0.87   0.002% *  0.0981% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  23.79 +/- 0.94   0.000% *  0.1019% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  21.39 +/- 1.12   0.001% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  23.83 +/- 1.36   0.000% *  0.0807% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  23.25 +/- 1.66   0.000% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  30.03 +/- 1.35   0.000% *  0.0362% (0.31   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 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 = 0.454, support = 6.15, residual support = 227.3:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  88.850% * 25.8976% (0.31  10.0 10.00   6.14 227.29) =  73.949%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.51 +/- 0.17  11.137% * 72.7830% (0.87  10.0 10.00   6.19 227.29) =  26.051%  kept
          QB    ALA  120 - HB2   LEU  115   8.30 +/- 0.65   0.009% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  17.84 +/- 1.66   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.38 +/- 1.18   0.003% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  16.59 +/- 1.66   0.000% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  16.24 +/- 1.08   0.000% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  16.21 +/- 2.12   0.000% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  16.09 +/- 1.05   0.000% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  19.94 +/- 0.77   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 227.3:
    * O T QD1   LEU  115 - HB2   LEU  115   2.56 +/- 0.41  99.996% * 99.9055% (1.00  10.0 10.00   6.00 227.29) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  14.56 +/- 1.13   0.004% *  0.0945% (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 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.21, residual support = 227.3:
    * O T QD2   LEU  115 - HB2   LEU  115   2.90 +/- 0.43  98.743% * 99.5578% (0.97  10.0 10.00   7.21 227.29) =  99.999%  kept
          QD1   LEU   63 - HB2   LEU  115   7.11 +/- 1.11   0.909% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   LEU  115   8.62 +/- 1.43   0.329% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   LEU  115  14.32 +/- 1.22   0.010% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  16.15 +/- 0.84   0.005% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  18.34 +/- 1.19   0.002% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  17.85 +/- 1.18   0.003% *  0.0318% (0.31   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 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.724, support = 6.09, residual support = 227.2:
    * O T HA    LEU  115 - HG    LEU  115   3.63 +/- 0.45  95.360% * 97.1402% (0.72  10.0 10.00   6.09 227.29) =  99.984%  kept
        T HA    GLU- 114 - HG    LEU  115   6.92 +/- 0.80   3.018% *  0.3967% (0.30   1.0 10.00   0.02  16.00) =   0.013%
        T HA    ARG+  54 - HG    LEU  115  10.89 +/- 1.32   0.240% *  1.0736% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   34 - HG    LEU   40   8.69 +/- 0.66   0.662% *  0.0271% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  14.26 +/- 1.45   0.035% *  0.3299% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40   9.95 +/- 1.69   0.542% *  0.0192% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  16.72 +/- 1.09   0.012% *  0.1347% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  14.45 +/- 2.71   0.042% *  0.0330% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  14.06 +/- 1.09   0.037% *  0.0343% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  17.47 +/- 1.49   0.010% *  0.0971% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  22.17 +/- 1.74   0.002% *  0.3646% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.34 +/- 0.47   0.030% *  0.0122% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  23.62 +/- 1.64   0.001% *  0.1009% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  21.40 +/- 1.72   0.003% *  0.0478% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  23.49 +/- 2.04   0.002% *  0.0799% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  23.40 +/- 2.05   0.002% *  0.0566% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  22.48 +/- 1.35   0.002% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  29.79 +/- 2.02   0.000% *  0.0359% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 6.19, residual support = 227.3:
    * O T HB2   LEU  115 - HG    LEU  115   2.51 +/- 0.17  99.114% * 98.2266% (0.87  10.0 10.00   6.19 227.29) =  99.999%  kept
        T HB2   LEU   67 - HG    LEU   40   8.30 +/- 1.75   0.136% *  0.2671% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU  115   6.36 +/- 0.78   0.626% *  0.0303% (0.27   1.0  1.00   0.02  16.00) =   0.000%
          HG3   PRO   58 - HG    LEU  115   9.41 +/- 1.43   0.066% *  0.0980% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  14.87 +/- 1.52   0.004% *  0.7865% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  16.59 +/- 1.66   0.002% *  0.3336% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  11.34 +/- 1.95   0.023% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.32 +/- 1.42   0.009% *  0.0273% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  15.14 +/- 1.66   0.003% *  0.0517% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  13.00 +/- 1.34   0.008% *  0.0125% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  13.85 +/- 1.56   0.005% *  0.0176% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  18.54 +/- 2.91   0.002% *  0.0440% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.32 +/- 1.69   0.001% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.18 +/- 0.95   0.003% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  20.56 +/- 1.08   0.000% *  0.0333% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  24.38 +/- 1.90   0.000% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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 = 227.3:
    * O T QD1   LEU  115 - HG    LEU  115   2.10 +/- 0.02  99.994% * 99.5358% (0.87  10.0 10.00   5.91 227.29) = 100.000%  kept
        T QD1   LEU  115 - HG    LEU   40  13.41 +/- 1.88   0.004% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU  115  14.37 +/- 1.45   0.001% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  13.86 +/- 1.13   0.001% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.07, residual support = 227.3:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.02  97.464% * 99.0740% (0.84  10.0 10.00   7.07 227.29) =  99.999%  kept
          QD1   LEU  104 - HG    LEU   40   4.73 +/- 1.08   1.955% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HG    LEU  115   6.90 +/- 1.31   0.272% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU  115   8.38 +/- 1.63   0.105% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   8.45 +/- 1.56   0.048% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   7.60 +/- 2.01   0.121% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  12.45 +/- 1.73   0.003% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   9.07 +/- 1.21   0.028% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  14.45 +/- 1.79   0.001% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  15.78 +/- 1.45   0.001% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  18.11 +/- 1.51   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  15.55 +/- 1.27   0.001% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  14.33 +/- 1.20   0.001% *  0.0108% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  17.82 +/- 1.48   0.000% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.828, support = 6.16, residual support = 224.0:
    *   T HA    LEU  115 - QD1   LEU  115   3.34 +/- 0.80  95.210% * 70.2377% (0.84 10.00   6.19 227.29) =  98.452%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.42 +/- 0.57   3.636% * 28.6837% (0.34 10.00   4.45  16.00) =   1.536%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.40 +/- 1.20   1.109% *  0.7762% (0.92 10.00   0.02   0.02) =   0.013%
          HA    ALA  124 - QD1   LEU  115  14.99 +/- 1.28   0.021% *  0.0702% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  18.99 +/- 1.49   0.004% *  0.0729% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  17.01 +/- 1.46   0.009% *  0.0346% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  19.09 +/- 1.64   0.004% *  0.0578% (0.69  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  19.27 +/- 1.48   0.005% *  0.0409% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  24.37 +/- 1.62   0.001% *  0.0260% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1473 (1.98, 0.43, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 227.3:
    * O T HB2   LEU  115 - QD1   LEU  115   2.56 +/- 0.41  98.052% * 99.6279% (1.00  10.0 10.00   6.00 227.29) =  99.999%  kept
          HG3   PRO   58 - QD1   LEU  115   7.32 +/- 1.52   0.456% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU  115   5.66 +/- 0.55   1.381% *  0.0307% (0.31   1.0  1.00   0.02  16.00) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  12.00 +/- 1.33   0.025% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU  115   9.67 +/- 1.22   0.053% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  11.78 +/- 1.13   0.021% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  15.28 +/- 2.30   0.007% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  15.31 +/- 1.44   0.004% *  0.0374% (0.38   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 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.794, support = 5.94, residual support = 227.3:
    * O T HG    LEU  115 - QD1   LEU  115   2.10 +/- 0.02  70.234% * 72.7830% (0.87  10.0 10.00   5.91 227.29) =  86.928%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.50 +/- 0.34  29.682% * 25.8976% (0.31  10.0 10.00   6.14 227.29) =  13.072%  kept
          QB    ALA  120 - QD1   LEU  115   7.38 +/- 0.88   0.054% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  14.29 +/- 1.87   0.001% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  13.41 +/- 1.88   0.003% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.16 +/- 1.24   0.018% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  12.00 +/- 1.52   0.003% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  12.72 +/- 1.45   0.002% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.98 +/- 0.95   0.002% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  15.54 +/- 1.02   0.000% *  0.0286% (0.34   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 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 = 7.2, residual support = 227.3:
    * O T QD2   LEU  115 - QD1   LEU  115   2.01 +/- 0.07  98.550% * 99.5578% (0.97  10.0 10.00   7.20 227.29) =  99.999%  kept
          QD1   LEU   63 - QD1   LEU  115   5.40 +/- 1.27   1.234% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - QD1   LEU  115   6.77 +/- 1.41   0.208% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.02 +/- 1.69   0.004% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  12.53 +/- 1.31   0.002% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  14.34 +/- 1.31   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  14.22 +/- 1.29   0.001% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 7.4, residual support = 227.3:
    *   T HA    LEU  115 - QD2   LEU  115   2.77 +/- 0.46  98.591% * 98.0930% (0.81 10.00   7.40 227.29) =  99.993%  kept
        T HA    GLU- 114 - QD2   LEU  115   6.03 +/- 0.38   1.283% *  0.4006% (0.33 10.00   0.02  16.00) =   0.005%
        T HA    ARG+  54 - QD2   LEU  115   9.34 +/- 0.94   0.107% *  1.0841% (0.89 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - QD2   LEU  115  13.46 +/- 1.10   0.012% *  0.0981% (0.81  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  18.41 +/- 1.61   0.002% *  0.0807% (0.66  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  18.93 +/- 1.56   0.001% *  0.1019% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  18.58 +/- 1.85   0.002% *  0.0572% (0.47  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  17.90 +/- 1.53   0.002% *  0.0483% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.67 +/- 1.61   0.000% *  0.0362% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.21, residual support = 227.3:
    * O T HB2   LEU  115 - QD2   LEU  115   2.90 +/- 0.43  96.351% * 99.6279% (0.97  10.0 10.00   7.21 227.29) =  99.998%  kept
          QB    GLU- 114 - QD2   LEU  115   5.74 +/- 0.60   2.656% *  0.0307% (0.30   1.0  1.00   0.02  16.00) =   0.001%
          HG3   PRO   58 - QD2   LEU  115   7.60 +/- 1.25   0.818% *  0.0994% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD2   LEU  115  11.05 +/- 1.18   0.050% *  0.0798% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  11.64 +/- 1.25   0.040% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  10.74 +/- 0.91   0.055% *  0.0277% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  14.04 +/- 2.18   0.023% *  0.0447% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  15.10 +/- 1.37   0.007% *  0.0374% (0.36   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 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.786, support = 7.1, residual support = 227.3:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.02  77.084% * 72.7830% (0.84  10.0 10.00   7.07 227.29) =  90.520%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.68 +/- 0.38  22.687% * 25.8976% (0.30  10.0 10.00   7.32 227.29) =   9.480%  kept
          QB    ALA  120 - QD2   LEU  115   6.14 +/- 0.89   0.180% *  0.0728% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  13.33 +/- 1.68   0.002% *  0.8316% (0.96   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  12.45 +/- 1.73   0.003% *  0.2590% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   7.83 +/- 0.69   0.033% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  11.68 +/- 1.94   0.004% *  0.0345% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  12.25 +/- 1.42   0.003% *  0.0509% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.41 +/- 1.24   0.004% *  0.0233% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  15.61 +/- 1.14   0.001% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.2, residual support = 227.3:
    * O T QD1   LEU  115 - QD2   LEU  115   2.01 +/- 0.07  99.997% * 99.9055% (0.97  10.0 10.00   7.20 227.29) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  11.72 +/- 1.26   0.003% *  0.0945% (0.91   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 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 = 5.25, residual support = 114.0:
    * O T HB2   GLN  116 - HA    GLN  116   2.90 +/- 0.09  99.876% * 98.6426% (1.00  10.0 10.00   5.25 114.04) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116   9.74 +/- 1.30   0.102% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  12.49 +/- 1.37   0.021% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  22.64 +/- 1.76   0.000% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  25.94 +/- 1.30   0.000% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  23.43 +/- 1.43   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 114.0:
    * O T HG2   GLN  116 - HA    GLN  116   2.22 +/- 0.38  99.968% * 99.8732% (1.00  10.0 10.00   4.87 114.04) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116   9.57 +/- 0.56   0.032% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  30.76 +/- 1.13   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 = 5.25, residual support = 114.0:
    * O T HA    GLN  116 - HB2   GLN  116   2.90 +/- 0.09  99.995% * 98.1197% (1.00  10.0 10.00   5.25 114.04) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  19.30 +/- 1.76   0.001% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  18.83 +/- 1.23   0.001% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  29.56 +/- 1.42   0.000% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  30.40 +/- 1.02   0.000% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  20.36 +/- 1.65   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  22.17 +/- 2.30   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  26.85 +/- 2.00   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  29.67 +/- 1.04   0.000% *  0.0595% (0.61   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 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 = 5.41, residual support = 114.0:
    * O T HG2   GLN  116 - HB2   GLN  116   2.78 +/- 0.16  99.979% * 99.8732% (1.00  10.0 10.00   5.41 114.04) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  11.55 +/- 0.51   0.021% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  32.95 +/- 1.03   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 0.26 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 114.0:
    * O T HA    GLN  116 - HG2   GLN  116   2.22 +/- 0.38  99.998% * 99.5202% (1.00  10.0 10.00   4.87 114.04) = 100.000%  kept
          HA    VAL   70 - HG2   GLN  116  17.87 +/- 2.29   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  17.06 +/- 1.57   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  18.34 +/- 2.05   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  21.50 +/- 2.49   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  25.53 +/- 2.57   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  28.36 +/- 2.01   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  29.38 +/- 1.51   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  29.38 +/- 1.24   0.000% *  0.0604% (0.61   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 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 114.0:
    * O T HB2   GLN  116 - HG2   GLN  116   2.78 +/- 0.16  99.866% * 99.6852% (1.00  10.0 10.00   5.41 114.04) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116   9.19 +/- 1.49   0.126% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  14.37 +/- 1.46   0.007% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  24.41 +/- 2.03   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  24.19 +/- 1.71   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  27.33 +/- 1.54   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.26 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 = 1.19, residual support = 15.0:
    * O T QB    SER  117 - HA    SER  117   2.44 +/- 0.08  98.374% * 98.0631% (1.00  10.0 10.00   1.19  15.01) =  99.999%  kept
          HA    LYS+ 121 - HA    SER  117   5.92 +/- 0.85   0.742% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    SER  117   5.42 +/- 0.31   0.876% *  0.0403% (0.41   1.0  1.00   0.02   6.25) =   0.000%
          HA    PHE   60 - HA    SER  117  12.35 +/- 1.11   0.007% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  22.38 +/- 1.52   0.000% *  0.8795% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  23.74 +/- 1.69   0.000% *  0.6344% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.50 +/- 0.96   0.001% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  24.73 +/- 0.76   0.000% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  21.22 +/- 1.40   0.000% *  0.0151% (0.15   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 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.19, residual support = 15.0:
    * O T HA    SER  117 - QB    SER  117   2.44 +/- 0.08  99.886% * 99.1287% (1.00  10.0 10.00   1.19  15.01) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   8.28 +/- 0.96   0.092% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.85 +/- 0.92   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.91 +/- 0.85   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.27 +/- 1.56   0.010% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.37 +/- 1.34   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  23.74 +/- 1.69   0.000% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  16.24 +/- 1.01   0.001% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  15.25 +/- 0.55   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  24.73 +/- 0.76   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.99 +/- 1.35   0.000% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  19.30 +/- 1.50   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  25.80 +/- 0.86   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  19.80 +/- 1.46   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  25.23 +/- 0.60   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.6, residual support = 258.8:
    * O T HB    ILE  119 - HA    ILE  119   3.01 +/- 0.01  99.888% * 99.2403% (0.87  10.0 10.00   6.60 258.82) = 100.000%  kept
          HB3   PRO   68 - HA    ILE  119  12.82 +/- 1.69   0.029% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE  119  12.59 +/- 1.25   0.022% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  13.69 +/- 1.03   0.013% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  12.35 +/- 1.50   0.029% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  15.68 +/- 1.19   0.006% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  18.16 +/- 1.57   0.002% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  18.50 +/- 1.80   0.002% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  16.03 +/- 0.88   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  19.87 +/- 1.72   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  18.39 +/- 0.98   0.002% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  27.05 +/- 1.27   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.92, residual support = 258.8:
    * O T QG2   ILE  119 - HA    ILE  119   2.42 +/- 0.12  99.078% * 99.7168% (1.00  10.0 10.00   6.92 258.82) = 100.000%  kept
          QD1   LEU   67 - HA    ILE  119   7.02 +/- 2.44   0.649% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  12.52 +/- 1.88   0.040% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  10.51 +/- 1.54   0.114% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119   8.70 +/- 1.60   0.102% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  12.88 +/- 1.74   0.016% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  15.73 +/- 1.17   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.9, residual support = 258.8:
    * O T HG12  ILE  119 - HA    ILE  119   2.77 +/- 0.22  99.548% * 99.4466% (1.00  10.0 10.00   6.90 258.82) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   7.39 +/- 0.91   0.380% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  11.46 +/- 0.96   0.029% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  11.39 +/- 1.04   0.034% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  15.90 +/- 1.50   0.004% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  18.00 +/- 1.09   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  19.46 +/- 1.01   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  19.59 +/- 1.29   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  24.13 +/- 1.47   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  21.50 +/- 1.19   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  26.38 +/- 1.97   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 258.8:
    * O T HG13  ILE  119 - HA    ILE  119   3.10 +/- 0.52  92.026% * 99.6771% (1.00  10.0 10.00   6.23 258.82) =  99.998%  kept
          QG1   VAL  107 - HA    ILE  119   5.72 +/- 0.93   6.047% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.001%
          HG2   LYS+ 121 - HA    ILE  119   6.95 +/- 0.28   0.935% *  0.0308% (0.31   1.0  1.00   0.02   5.93) =   0.000%
          QG2   VAL  107 - HA    ILE  119   7.41 +/- 0.83   0.947% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  13.04 +/- 1.81   0.036% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  16.88 +/- 0.75   0.005% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  19.05 +/- 1.75   0.003% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  20.80 +/- 1.24   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.02, residual support = 258.8:
    *   T QD1   ILE  119 - HA    ILE  119   3.35 +/- 0.67  99.605% * 99.2846% (0.97 10.00   6.02 258.82) = 100.000%  kept
          HB2   LEU  104 - HA    ILE  119   9.80 +/- 1.43   0.286% *  0.0747% (0.73  1.00   0.02   0.02) =   0.000%
        T HB    VAL   75 - HA    ILE  119  16.87 +/- 1.57   0.011% *  0.5824% (0.57 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    ILE  119  11.25 +/- 0.89   0.097% *  0.0582% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.37 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.57, residual support = 254.8:
    * O T HA    ILE  119 - HB    ILE  119   3.01 +/- 0.01  98.115% * 50.8167% (0.87  10.0 10.00   6.60 258.82) =  98.188%  kept
        T HA    THR  118 - HB    ILE  119   5.83 +/- 0.14   1.876% * 49.0416% (0.84   1.0 10.00   4.75  39.54) =   1.812%  kept
          HA2   GLY  109 - HB    ILE  119  15.36 +/- 1.35   0.006% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  21.25 +/- 1.10   0.001% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  23.76 +/- 1.28   0.000% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  19.44 +/- 1.03   0.001% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 258.8:
    * O T QG2   ILE  119 - HB    ILE  119   2.11 +/- 0.02  99.916% * 99.7168% (0.87  10.0 10.00   6.31 258.82) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119   8.64 +/- 2.09   0.067% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  14.48 +/- 1.82   0.002% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  14.69 +/- 1.97   0.002% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  12.46 +/- 1.43   0.005% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  11.13 +/- 1.62   0.007% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  16.39 +/- 1.25   0.001% *  0.0374% (0.33   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 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 258.8:
    * O T HG12  ILE  119 - HB    ILE  119   2.63 +/- 0.17  99.912% * 99.4466% (0.87  10.0 10.00   5.94 258.82) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119   9.28 +/- 0.98   0.065% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  13.02 +/- 1.29   0.009% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  12.64 +/- 1.18   0.010% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  17.56 +/- 1.08   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  17.46 +/- 1.60   0.001% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  20.11 +/- 1.02   0.001% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  20.85 +/- 1.27   0.000% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  26.39 +/- 1.62   0.000% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  22.25 +/- 1.24   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  27.74 +/- 2.05   0.000% *  0.0153% (0.13   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 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.6, residual support = 258.8:
    * O T HG13  ILE  119 - HB    ILE  119   2.69 +/- 0.37  97.830% * 99.4020% (0.87  10.0 10.00   5.60 258.82) =  99.997%  kept
        T QG1   VAL  107 - HB    ILE  119   6.02 +/- 1.08   1.520% *  0.1534% (0.13   1.0 10.00   0.02   0.11) =   0.002%
        T QG2   VAL  107 - HB    ILE  119   7.28 +/- 1.11   0.429% *  0.1534% (0.13   1.0 10.00   0.02   0.11) =   0.001%
          HD3   LYS+ 112 - HB    ILE  119  10.79 +/- 2.09   0.096% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.53 +/- 0.18   0.122% *  0.0307% (0.27   1.0  1.00   0.02   5.93) =   0.000%
          QB    ALA   20 - HB    ILE  119  17.70 +/- 0.94   0.002% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  21.72 +/- 1.73   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  22.31 +/- 1.20   0.000% *  0.0409% (0.36   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 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 258.8:
    * O T QD1   ILE  119 - HB    ILE  119   2.59 +/- 0.41  99.961% * 99.2846% (0.84  10.0 10.00   5.44 258.82) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  11.96 +/- 1.05   0.020% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  12.51 +/- 1.34   0.017% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  18.29 +/- 1.63   0.001% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.92, residual support = 258.8:
    * O T HA    ILE  119 - QG2   ILE  119   2.42 +/- 0.12  99.585% * 99.6260% (1.00  10.0 10.00   6.92 258.82) = 100.000%  kept
          HA    THR  118 - QG2   ILE  119   6.08 +/- 0.04   0.409% *  0.0961% (0.97   1.0  1.00   0.02  39.54) =   0.000%
          HA2   GLY  109 - QG2   ILE  119  14.25 +/- 1.18   0.003% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  17.94 +/- 1.19   0.001% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  20.17 +/- 1.08   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  15.66 +/- 1.19   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 258.8:
    * O T HB    ILE  119 - QG2   ILE  119   2.11 +/- 0.02  99.957% * 99.2403% (0.87  10.0 10.00   6.31 258.82) = 100.000%  kept
          HB3   PRO   68 - QG2   ILE  119   9.83 +/- 1.56   0.022% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  11.29 +/- 1.07   0.005% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  10.88 +/- 1.04   0.007% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  13.16 +/- 1.02   0.002% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  12.40 +/- 0.88   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  12.69 +/- 1.19   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  15.97 +/- 1.70   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  14.56 +/- 0.95   0.001% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  17.21 +/- 1.76   0.000% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  17.10 +/- 1.69   0.000% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  23.41 +/- 1.42   0.000% *  0.0285% (0.25   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 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 = 258.8:
    * O T HG12  ILE  119 - QG2   ILE  119   3.14 +/- 0.14  99.198% * 99.4466% (1.00  10.0 10.00   6.26 258.82) = 100.000%  kept
          HB3   PHE   72 - QG2   ILE  119   9.41 +/- 1.31   0.275% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119   9.92 +/- 1.27   0.188% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QG2   ILE  119   8.56 +/- 0.72   0.286% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  12.98 +/- 1.43   0.029% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  15.66 +/- 0.91   0.007% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  15.79 +/- 0.97   0.007% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  17.24 +/- 0.89   0.004% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  20.95 +/- 1.63   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  18.20 +/- 1.25   0.003% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  21.46 +/- 1.68   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 258.8:
    * O T HG13  ILE  119 - QG2   ILE  119   2.56 +/- 0.30  98.643% * 99.6771% (1.00  10.0 10.00   5.91 258.82) = 100.000%  kept
          QG1   VAL  107 - QG2   ILE  119   6.20 +/- 0.84   0.805% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.58 +/- 0.27   0.173% *  0.0308% (0.31   1.0  1.00   0.02   5.93) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   7.17 +/- 0.86   0.311% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          HD3   LYS+ 112 - QG2   ILE  119  10.33 +/- 1.94   0.061% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   ILE  119  13.81 +/- 0.91   0.005% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  17.36 +/- 1.71   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  18.22 +/- 1.19   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 258.8:
    *   T QD1   ILE  119 - QG2   ILE  119   1.97 +/- 0.24  99.988% * 99.8078% (0.97 10.00   5.75 258.82) = 100.000%  kept
          HB2   LEU  104 - QG2   ILE  119  10.43 +/- 1.23   0.007% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  10.91 +/- 0.79   0.005% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  14.83 +/- 1.61   0.001% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.86, residual support = 252.8:
    * O T HA    ILE  119 - HG12  ILE  119   2.77 +/- 0.22  97.164% * 50.8167% (1.00  10.0 10.00   6.90 258.82) =  97.272%  kept
        T HA    THR  118 - HG12  ILE  119   5.12 +/- 0.21   2.824% * 49.0416% (0.97   1.0 10.00   5.53  39.54) =   2.728%  kept
          HA2   GLY  109 - HG12  ILE  119  13.61 +/- 1.37   0.009% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  18.76 +/- 1.03   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  21.88 +/- 1.34   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  17.20 +/- 0.78   0.002% *  0.0089% (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 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 258.8:
    * O T HB    ILE  119 - HG12  ILE  119   2.63 +/- 0.17  99.883% * 98.6651% (0.87  10.0 10.00   5.94 258.82) = 100.000%  kept
          HB2   PRO   93 - HG12  ILE  119  10.04 +/- 1.44   0.059% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE  119  10.52 +/- 1.46   0.033% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG12  ILE  119  15.93 +/- 0.97   0.002% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  12.27 +/- 1.29   0.012% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  14.49 +/- 1.54   0.005% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  16.10 +/- 0.75   0.002% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  18.71 +/- 1.49   0.001% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  16.71 +/- 1.12   0.002% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  20.33 +/- 1.73   0.001% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  20.35 +/- 1.78   0.001% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  26.91 +/- 1.02   0.000% *  0.0284% (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 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 258.8:
    * O T QG2   ILE  119 - HG12  ILE  119   3.14 +/- 0.14  98.981% * 99.7168% (1.00  10.0 10.00   6.26 258.82) = 100.000%  kept
          QD1   LEU   67 - HG12  ILE  119   8.41 +/- 2.18   0.635% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  12.90 +/- 1.59   0.045% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  11.04 +/- 1.41   0.139% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  10.18 +/- 1.57   0.155% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  13.81 +/- 1.60   0.031% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  14.52 +/- 1.04   0.013% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.21 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 = 5.66, residual support = 258.8:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  98.588% * 99.6771% (1.00  10.0 10.00   5.66 258.82) = 100.000%  kept
          QG1   VAL  107 - HG12  ILE  119   4.38 +/- 1.12   1.238% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   5.63 +/- 1.01   0.161% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119  10.70 +/- 1.85   0.006% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   8.84 +/- 0.22   0.006% *  0.0308% (0.31   1.0  1.00   0.02   5.93) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.34 +/- 0.75   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  19.89 +/- 1.60   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  20.35 +/- 1.07   0.000% *  0.0410% (0.41   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 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.49, residual support = 258.8:
    * O T QD1   ILE  119 - HG12  ILE  119   2.14 +/- 0.02  99.982% * 99.8078% (0.97  10.0 10.00   5.49 258.82) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119  10.17 +/- 1.03   0.011% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  11.28 +/- 1.37   0.006% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  15.96 +/- 1.47   0.001% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.2, residual support = 253.9:
    * O T HA    ILE  119 - HG13  ILE  119   3.10 +/- 0.52  97.628% * 50.8167% (1.00  10.0 10.00   6.23 258.82) =  97.737%  kept
        T HA    THR  118 - HG13  ILE  119   6.20 +/- 0.41   2.342% * 49.0416% (0.97   1.0 10.00   4.72  39.54) =   2.263%  kept
          HA2   GLY  109 - HG13  ILE  119  14.37 +/- 1.56   0.022% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  19.19 +/- 1.26   0.003% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  21.91 +/- 1.24   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  17.16 +/- 1.20   0.005% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.6, residual support = 258.8:
    * O T HB    ILE  119 - HG13  ILE  119   2.69 +/- 0.37  99.877% * 99.2403% (0.87  10.0 10.00   5.60 258.82) = 100.000%  kept
          HB2   PRO   93 - HG13  ILE  119  10.39 +/- 1.42   0.060% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG13  ILE  119  11.27 +/- 1.54   0.023% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE  119  13.86 +/- 1.90   0.013% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  13.18 +/- 1.33   0.010% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  15.34 +/- 1.07   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  15.68 +/- 0.93   0.003% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  18.63 +/- 2.02   0.002% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  16.17 +/- 1.24   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  20.17 +/- 2.12   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  20.66 +/- 1.88   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  26.93 +/- 1.61   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 258.8:
    * O T QG2   ILE  119 - HG13  ILE  119   2.56 +/- 0.30  99.653% * 99.7168% (1.00  10.0 10.00   5.91 258.82) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   8.09 +/- 1.85   0.260% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  13.53 +/- 2.06   0.015% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  13.52 +/- 1.84   0.010% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  11.75 +/- 1.57   0.027% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  10.44 +/- 1.61   0.032% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  14.21 +/- 1.34   0.004% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 258.8:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.986% * 99.4466% (1.00  10.0 10.00   5.66 258.82) = 100.000%  kept
          HB2   ASP-  44 - HG13  ILE  119  10.37 +/- 1.40   0.004% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG13  ILE  119   8.96 +/- 1.12   0.008% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  11.21 +/- 1.41   0.002% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  16.11 +/- 1.21   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  16.37 +/- 1.39   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  18.40 +/- 1.09   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  19.66 +/- 1.68   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  24.44 +/- 1.90   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  19.97 +/- 1.35   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  26.91 +/- 2.23   0.000% *  0.0153% (0.15   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 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 = 5.15, residual support = 258.8:
    * O T QD1   ILE  119 - HG13  ILE  119   2.14 +/- 0.01  99.988% * 99.8078% (0.97  10.0 10.00   5.15 258.82) = 100.000%  kept
          QG2   VAL  108 - HG13  ILE  119  10.93 +/- 1.05   0.007% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  11.99 +/- 1.43   0.004% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  16.03 +/- 1.78   0.001% *  0.0586% (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 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.01, residual support = 257.0:
    *   T HA    ILE  119 - QD1   ILE  119   3.35 +/- 0.67  96.207% * 81.8093% (0.97 10.00   6.02 258.82) =  99.175%  kept
          HA    THR  118 - QD1   ILE  119   6.14 +/- 0.22   3.669% * 17.8335% (0.93  1.00   4.52  39.54) =   0.825%  kept
          HA2   GLY  109 - QD1   ILE  119  12.15 +/- 1.34   0.078% *  0.0594% (0.70  1.00   0.02   0.02) =   0.000%
        T HA    VAL   75 - QD1   ILE  119  13.99 +/- 1.10   0.026% *  0.1433% (0.17 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  15.99 +/- 1.24   0.012% *  0.0734% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  17.67 +/- 1.13   0.008% *  0.0811% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 258.8:
    * O T HB    ILE  119 - QD1   ILE  119   2.59 +/- 0.41  99.697% * 98.5836% (0.84  10.0 10.00   5.44 258.82) = 100.000%  kept
        T HB    VAL  108 - QD1   ILE  119  11.36 +/- 1.41   0.031% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  11.44 +/- 1.37   0.041% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119   8.46 +/- 0.98   0.117% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE  119   9.64 +/- 1.14   0.061% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  12.25 +/- 1.13   0.011% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  12.21 +/- 0.72   0.015% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  13.28 +/- 1.33   0.014% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  15.57 +/- 1.74   0.005% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  16.76 +/- 1.92   0.004% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  17.85 +/- 2.14   0.003% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  22.32 +/- 1.33   0.000% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 258.8:
    *   T QG2   ILE  119 - QD1   ILE  119   1.97 +/- 0.24  99.841% * 99.7168% (0.97 10.00   5.75 258.82) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   6.89 +/- 1.58   0.100% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  11.23 +/- 1.80   0.008% *  0.0865% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119   9.21 +/- 1.82   0.032% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  11.80 +/- 1.52   0.005% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  10.44 +/- 1.35   0.010% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  11.25 +/- 1.08   0.004% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.49, residual support = 258.8:
    * O T HG12  ILE  119 - QD1   ILE  119   2.14 +/- 0.02  99.883% * 99.4466% (0.97  10.0 10.00   5.49 258.82) = 100.000%  kept
          HB2   ASP-  44 - QD1   ILE  119   8.42 +/- 1.15   0.040% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119   9.08 +/- 1.37   0.031% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QD1   ILE  119   8.39 +/- 1.14   0.040% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  13.17 +/- 0.93   0.002% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  13.49 +/- 1.44   0.002% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  15.26 +/- 0.92   0.001% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  16.03 +/- 1.18   0.001% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  20.34 +/- 1.62   0.000% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  16.21 +/- 1.04   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  22.26 +/- 1.66   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.15, residual support = 258.8:
    * O T HG13  ILE  119 - QD1   ILE  119   2.14 +/- 0.01  97.559% * 99.6771% (0.97  10.0 10.00   5.15 258.82) = 100.000%  kept
          QG1   VAL  107 - QD1   ILE  119   4.94 +/- 1.00   1.602% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   5.45 +/- 1.02   0.691% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          HD3   LYS+ 112 - QD1   ILE  119   8.68 +/- 1.83   0.124% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   8.88 +/- 0.40   0.020% *  0.0308% (0.30   1.0  1.00   0.02   5.93) =   0.000%
          QB    ALA   20 - QD1   ILE  119  12.83 +/- 0.82   0.002% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  17.07 +/- 1.95   0.001% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  17.01 +/- 1.13   0.000% *  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 = 2.35, residual support = 14.1:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.01  99.771% * 99.2082% (0.95  10.0 10.00   2.35  14.09) = 100.000%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.43 +/- 0.54   0.158% *  0.1618% (0.15   1.0 10.00   0.02   1.78) =   0.000%
          HG    LEU   67 - HA    ALA  120  10.60 +/- 2.30   0.042% *  0.0552% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    ALA  120  10.46 +/- 1.33   0.011% *  0.0992% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.64 +/- 1.12   0.009% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  13.61 +/- 2.49   0.003% *  0.1046% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  14.03 +/- 1.11   0.001% *  0.2075% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  13.01 +/- 2.23   0.005% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  19.62 +/- 1.19   0.000% *  0.0510% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  21.50 +/- 1.29   0.000% *  0.0262% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.35, residual support = 14.1:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.01  95.852% * 99.3786% (0.95  10.0 10.00   2.35  14.09) =  99.997%  kept
          HA    LYS+ 121 - QB    ALA  120   3.91 +/- 0.03   2.576% *  0.0759% (0.72   1.0  1.00   0.02   1.78) =   0.002%
          QB    SER  117 - QB    ALA  120   4.31 +/- 0.28   1.567% *  0.0409% (0.39   1.0  1.00   0.02   6.25) =   0.001%
          HA    LYS+  65 - QB    ALA  120  12.89 +/- 0.80   0.002% *  0.0759% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.35 +/- 0.61   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  16.23 +/- 1.35   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  20.89 +/- 1.16   0.000% *  0.0917% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  19.95 +/- 1.04   0.000% *  0.0683% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  22.06 +/- 0.62   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.96 +/- 1.43   0.000% *  0.0197% (0.19   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 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 = 0.968, support = 8.12, residual support = 310.3:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.91 +/- 0.08  62.879% * 91.1605% (1.00  10.0 10.00   8.24 315.59) =  96.578%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.30 +/- 0.47  35.499% *  5.7090% (0.06   1.0 10.00   4.75 162.70) =   3.415%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.52 +/- 0.58   1.560% *  0.2814% (0.31   1.0 10.00   0.02   2.18) =   0.007%
        T QD    LYS+  65 - HA    LYS+ 121  16.53 +/- 1.00   0.002% *  0.9096% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  15.34 +/- 1.87   0.004% *  0.4796% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  17.31 +/- 2.27   0.002% *  0.8176% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.36 +/- 1.16   0.002% *  0.2535% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.18 +/- 1.43   0.004% *  0.0572% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.60 +/- 1.52   0.009% *  0.0177% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.48 +/- 1.06   0.002% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  17.84 +/- 1.87   0.001% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.73 +/- 1.67   0.013% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.05 +/- 1.20   0.001% *  0.0513% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.30 +/- 2.99   0.001% *  0.0301% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  19.73 +/- 1.29   0.001% *  0.0553% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.41 +/- 0.82   0.018% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  24.77 +/- 1.69   0.000% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.67 +/- 1.10   0.000% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  19.55 +/- 1.41   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.15 +/- 0.65   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.28, residual support = 315.6:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.22 +/- 0.33  99.912% * 99.6412% (1.00  10.0 10.00   7.28 315.59) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.29 +/- 0.38   0.015% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.78 +/- 0.30   0.039% *  0.0308% (0.31   1.0  1.00   0.02   5.93) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  13.73 +/- 2.21   0.013% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  17.12 +/- 1.45   0.001% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  11.48 +/- 1.34   0.012% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  12.33 +/- 0.87   0.004% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.40 +/- 0.89   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  14.68 +/- 0.74   0.002% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  20.98 +/- 1.88   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.26 +/- 2.08   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  20.24 +/- 1.29   0.000% *  0.0017% (0.02   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 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.69, residual support = 315.6:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.37 +/- 0.17  98.348% * 99.4380% (1.00  10.0 10.00   6.69 315.59) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.13 +/- 0.28   1.206% *  0.0484% (0.49   1.0  1.00   0.02   2.18) =   0.001%
        T QD2   LEU   73 - HA    LYS+ 121  15.70 +/- 1.21   0.011% *  0.3392% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  10.57 +/- 0.81   0.119% *  0.0213% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+ 121  12.89 +/- 0.98   0.038% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  10.05 +/- 1.61   0.222% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  17.24 +/- 1.55   0.007% *  0.0624% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.80 +/- 0.89   0.044% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  21.20 +/- 1.94   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  19.42 +/- 1.01   0.003% *  0.0014% (0.01   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 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.464, support = 7.61, residual support = 295.9:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.67 +/- 0.24  45.538% * 21.3664% (0.31  10.0 10.00   8.15 315.59) =  60.159%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.80 +/- 0.34   6.322% * 69.2258% (1.00   1.0 10.00   7.51 315.59) =  27.058%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.73 +/- 0.54  47.696% *  4.3065% (0.06  10.0 10.00   5.27 162.70) =  12.700%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.05 +/- 0.59   0.378% *  3.4792% (0.05   1.0 10.00   5.46  25.18) =   0.081%
        T QD    LYS+  66 - HA    LYS+ 121  10.72 +/- 1.92   0.023% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  17.19 +/- 1.29   0.001% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.65 +/- 1.43   0.014% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.38 +/- 2.05   0.007% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.04 +/- 1.99   0.001% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.08 +/- 0.96   0.000% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.12 +/- 1.38   0.004% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.21 +/- 0.82   0.002% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.68 +/- 1.56   0.001% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.69 +/- 1.01   0.004% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.53 +/- 1.04   0.000% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  20.93 +/- 1.07   0.000% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.26 +/- 0.96   0.002% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  12.39 +/- 0.99   0.005% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.64 +/- 1.62   0.000% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.46 +/- 1.18   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 = 0.988, support = 6.64, residual support = 296.1:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.78 +/- 0.93  89.342% * 58.7348% (1.00   6.72 315.59) =  92.660%  kept
          HB3   HIS  122 - HA    LYS+ 121   6.01 +/- 0.33  10.138% * 41.0056% (0.84   5.62  50.05) =   7.340%  kept
          HB3   HIS  122 - HA    LYS+  65  11.02 +/- 1.50   0.415% *  0.0092% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  15.43 +/- 1.88   0.080% *  0.0110% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  23.55 +/- 1.57   0.002% *  0.1200% (0.69   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  17.10 +/- 1.13   0.018% *  0.0075% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  26.07 +/- 1.54   0.001% *  0.0783% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  30.00 +/- 1.12   0.001% *  0.0270% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  23.71 +/- 1.01   0.003% *  0.0049% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  24.65 +/- 0.99   0.002% *  0.0017% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.76 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 = 315.6:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.91 +/- 0.08  95.880% * 99.1042% (1.00  10.0 10.00   8.24 315.59) =  99.997%  kept
          QB    SER  117 - HB2   LYS+ 121   5.80 +/- 0.66   1.975% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HB2   LYS+ 121   5.53 +/- 0.14   2.099% *  0.0757% (0.76   1.0  1.00   0.02   1.78) =   0.002%
        T HA    LYS+  65 - HB2   LYS+ 121  15.18 +/- 1.43   0.006% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   LYS+ 121  11.27 +/- 0.90   0.032% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  15.26 +/- 0.80   0.005% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  18.26 +/- 1.29   0.002% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  23.59 +/- 1.29   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  24.04 +/- 1.15   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  22.86 +/- 0.83   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.7, residual support = 315.6:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.97 +/- 0.06  98.510% * 99.7211% (1.00  10.0 10.00   7.70 315.59) =  99.999%  kept
          HG13  ILE  103 - HB2   LYS+ 121  11.65 +/- 1.97   0.577% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LYS+ 121   6.87 +/- 0.44   0.699% *  0.0308% (0.31   1.0  1.00   0.02   5.93) =   0.000%
          QG2   VAL  107 - HB2   LYS+ 121   8.33 +/- 0.39   0.211% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.52 +/- 0.80   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  19.07 +/- 1.55   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.13, residual support = 315.6:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.74 +/- 0.13  99.788% * 99.0974% (1.00  10.0 10.00   7.13 315.59) =  99.999%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.97 +/- 0.20   0.174% *  0.4824% (0.49   1.0 10.00   0.02   2.18) =   0.001%
        T QD2   LEU   73 - HB2   LYS+ 121  13.89 +/- 1.08   0.007% *  0.3380% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB2   LYS+ 121  11.17 +/- 0.98   0.030% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  19.07 +/- 1.71   0.001% *  0.0221% (0.22   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 1547 (1.50, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.679, support = 8.32, residual support = 315.6:
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.11 +/- 0.22  26.269% * 74.7463% (1.00  10.0 10.00   7.96 315.59) =  53.586%  kept
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  73.719% * 23.0703% (0.31  10.0 10.00   8.74 315.59) =  46.414%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.58 +/- 2.32   0.004% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.98 +/- 1.70   0.000% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   9.42 +/- 1.31   0.005% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  18.52 +/- 0.96   0.000% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  11.16 +/- 1.62   0.002% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  17.61 +/- 0.99   0.000% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.53 +/- 1.21   0.001% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  19.64 +/- 0.82   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 = 0.989, support = 7.09, residual support = 297.5:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.57 +/- 0.27  90.635% * 58.4708% (1.00   7.17 315.59) =  93.198%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.58 +/- 0.58   9.362% * 41.3188% (0.84   6.07  50.05) =   6.802%  kept
          HG2   GLN   30 - HB2   LYS+ 121  21.42 +/- 1.36   0.002% *  0.1120% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  23.89 +/- 1.26   0.001% *  0.0731% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  27.31 +/- 1.06   0.000% *  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 = 7.28, residual support = 315.6:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.22 +/- 0.33  99.657% * 99.1042% (1.00  10.0 10.00   7.28 315.59) = 100.000%  kept
          QB    SER  117 - HG2   LYS+ 121   6.75 +/- 1.01   0.172% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   LYS+ 121   6.72 +/- 0.15   0.166% *  0.0757% (0.76   1.0  1.00   0.02   1.78) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  17.12 +/- 1.45   0.001% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  13.94 +/- 0.97   0.002% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  17.49 +/- 0.99   0.001% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  19.88 +/- 1.17   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  25.90 +/- 1.39   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  26.66 +/- 1.20   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  24.34 +/- 0.84   0.000% *  0.0407% (0.41   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 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.7, residual support = 315.6:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.97 +/- 0.06  99.534% * 99.4783% (1.00  10.0 10.00   7.70 315.59) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.44 +/- 0.48   0.432% *  0.0307% (0.31   1.0  1.00   0.02   2.18) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  13.95 +/- 1.77   0.015% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  16.57 +/- 2.01   0.004% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  17.50 +/- 1.36   0.003% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  16.26 +/- 1.75   0.005% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  17.88 +/- 2.07   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  17.04 +/- 1.08   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  19.86 +/- 1.35   0.001% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  24.01 +/- 1.63   0.000% *  0.0975% (0.98   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 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 = 315.6:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.992% * 99.3314% (1.00  10.0 10.00   6.31 315.59) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.65 +/- 0.30   0.007% *  0.0483% (0.49   1.0  1.00   0.02   2.18) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  15.54 +/- 1.24   0.000% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  13.30 +/- 0.92   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  20.36 +/- 1.73   0.000% *  0.2211% (0.22   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 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.798, support = 7.28, residual support = 315.6:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.91 +/- 0.06  42.710% * 75.5250% (1.00  10.0 10.00   7.14 315.59) =  70.758%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.77 +/- 0.08  57.188% * 23.3106% (0.31  10.0 10.00   7.63 315.59) =  29.242%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  11.91 +/- 2.17   0.017% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   LYS+ 121   9.30 +/- 1.20   0.066% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  14.20 +/- 1.27   0.004% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  12.02 +/- 1.64   0.013% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  18.17 +/- 1.71   0.001% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  20.28 +/- 1.10   0.000% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  21.24 +/- 0.95   0.000% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.04 +/- 1.07   0.000% *  0.0577% (0.76   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 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 315.6:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.47 +/- 0.47  99.345% * 99.7880% (1.00  10.0   6.31 315.59) =  99.999%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.85 +/- 0.99   0.654% *  0.0833% (0.84   1.0   0.02  50.05) =   0.001%
          HG2   GLN   30 - HG2   LYS+ 121  23.13 +/- 1.60   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  25.16 +/- 1.37   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  29.80 +/- 1.05   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 315.6:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.37 +/- 0.17  96.111% * 98.4706% (1.00  10.0 10.00   6.69 315.59) =  99.997%  kept
          QB    SER  117 - HG3   LYS+ 121   6.72 +/- 0.88   2.093% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HG3   LYS+ 121   7.65 +/- 0.10   0.730% *  0.0753% (0.76   1.0  1.00   0.02   1.78) =   0.001%
        T HA    LYS+  65 - QD2   LEU   73  10.57 +/- 0.81   0.117% *  0.1145% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD2   LEU   73  10.81 +/- 1.68   0.170% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73   8.92 +/- 0.95   0.422% *  0.0093% (0.09   1.0  1.00   0.02   1.32) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  15.70 +/- 1.21   0.011% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73   9.93 +/- 1.25   0.220% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  17.24 +/- 1.55   0.007% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  16.20 +/- 1.09   0.009% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  13.82 +/- 1.16   0.025% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  13.48 +/- 1.01   0.027% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  15.34 +/- 1.10   0.013% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  13.90 +/- 1.00   0.024% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  15.61 +/- 1.50   0.012% *  0.0257% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  18.08 +/- 1.41   0.005% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  19.88 +/- 1.38   0.003% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  25.01 +/- 1.45   0.001% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  26.04 +/- 1.28   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  22.99 +/- 0.90   0.001% *  0.0405% (0.41   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 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 7.13, residual support = 315.6:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.74 +/- 0.13  98.722% * 98.6953% (1.00  10.0 10.00   7.13 315.59) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.62 +/- 0.53   0.114% *  0.3046% (0.31   1.0 10.00   0.02   2.18) =   0.000%
          HD2   LYS+  74 - QD2   LEU   73   6.42 +/- 0.92   0.967% *  0.0204% (0.21   1.0  1.00   0.02  40.49) =   0.000%
          HB    VAL   83 - QD2   LEU   73   9.82 +/- 1.18   0.070% *  0.0330% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  13.89 +/- 1.08   0.007% *  0.3366% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  11.02 +/- 0.74   0.027% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.82 +/- 1.68   0.014% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  12.71 +/- 0.81   0.012% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  11.01 +/- 1.14   0.031% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  16.12 +/- 1.77   0.003% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.44 +/- 1.54   0.013% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.67 +/- 1.40   0.002% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  15.75 +/- 1.65   0.004% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  17.10 +/- 2.04   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  16.73 +/- 1.02   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  19.01 +/- 1.46   0.001% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.83 +/- 1.41   0.005% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  22.59 +/- 1.74   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.46 +/- 1.74   0.003% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  20.27 +/- 1.25   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 315.6:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.913% * 98.9593% (1.00  10.0 10.00   6.31 315.59) = 100.000%  kept
        T HB3   LEU   31 - QD2   LEU   73   7.70 +/- 0.58   0.016% *  0.0938% (0.09   1.0 10.00   0.02   1.31) =   0.000%
          QB    ALA   20 - QD2   LEU   73   6.41 +/- 0.47   0.047% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  10.95 +/- 1.73   0.010% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG3   LYS+ 121   9.47 +/- 0.62   0.004% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.39 +/- 0.39   0.004% *  0.0305% (0.31   1.0  1.00   0.02   5.93) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  15.54 +/- 1.24   0.000% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  11.19 +/- 1.28   0.002% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.20 +/- 1.53   0.002% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  18.81 +/- 1.59   0.000% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  12.24 +/- 1.65   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  20.89 +/- 0.99   0.000% *  0.0792% (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 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 = 0.648, support = 6.76, residual support = 315.6:
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.33 +/- 0.15  75.373% * 23.1874% (0.31  10.0 10.00   6.96 315.59) =  50.886%  kept
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.86 +/- 0.06  22.453% * 75.1260% (1.00  10.0 10.00   6.55 315.59) =  49.112%  kept
          QG2   THR   26 - QD2   LEU   73   5.04 +/- 0.73   1.501% *  0.0247% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU   73   5.63 +/- 0.37   0.416% *  0.0196% (0.26   1.0  1.00   0.02  40.49) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   7.61 +/- 0.75   0.076% *  0.0507% (0.07   1.0 10.00   0.02  40.49) =   0.000%
        T QD    LYS+  66 - HG3   LYS+ 121  12.48 +/- 2.28   0.006% *  0.6016% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121   8.08 +/- 1.17   0.092% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.58 +/- 0.66   0.003% *  0.2051% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  14.39 +/- 1.60   0.002% *  0.2562% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  10.73 +/- 1.01   0.009% *  0.0254% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.01 +/- 0.49   0.051% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  14.07 +/- 1.29   0.002% *  0.0791% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  11.43 +/- 1.41   0.008% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  13.62 +/- 1.35   0.002% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  19.47 +/- 1.23   0.000% *  0.1487% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.99 +/- 0.82   0.004% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.22 +/- 1.74   0.000% *  0.0745% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  20.36 +/- 0.96   0.000% *  0.0725% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  20.20 +/- 1.22   0.000% *  0.0574% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  17.62 +/- 1.45   0.000% *  0.0057% (0.08   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 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 315.6:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.82 +/- 0.54  85.111% * 99.6820% (1.00  10.0   6.00 315.59) =  99.995%  kept
          HG2   GLN   30 - QD2   LEU   73   4.53 +/- 0.92  14.076% *  0.0233% (0.23   1.0   0.02   4.22) =   0.004%
          HB3   HIS  122 - HG3   LYS+ 121   7.23 +/- 0.88   0.666% *  0.0833% (0.84   1.0   0.02  50.05) =   0.001%
          HB3   ASN   28 - QD2   LEU   73   9.39 +/- 0.49   0.083% *  0.0152% (0.15   1.0   0.02   0.32) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  12.46 +/- 1.79   0.044% *  0.0284% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  13.63 +/- 1.89   0.011% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  22.10 +/- 1.50   0.001% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.19 +/- 0.97   0.008% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  23.84 +/- 1.34   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  28.66 +/- 1.20   0.000% *  0.0154% (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 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.991, support = 7.39, residual support = 304.4:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.80 +/- 0.34  65.314% * 56.2480% (1.00 10.00   7.51 315.59) =  96.420%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.43 +/- 0.54   3.147% * 42.9863% (0.76 10.00   4.28   1.78) =   3.551%  kept
          QB    SER  117 - HD2   LYS+ 121   5.34 +/- 1.70  19.022% *  0.0470% (0.84  1.00   0.02   0.02) =   0.023%
        T HA    LYS+  65 - QD    LYS+  66   6.05 +/- 0.59   6.101% *  0.0239% (0.04 10.00   0.02  25.18) =   0.004%
        T HA    LYS+ 121 - QD    LYS+  66  10.72 +/- 1.92   0.254% *  0.0699% (0.12 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66   7.58 +/- 1.47   2.353% *  0.0053% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  16.04 +/- 1.99   0.027% *  0.1919% (0.34 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   7.54 +/- 1.14   1.828% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74   9.88 +/- 1.25   0.418% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+  74  10.32 +/- 1.24   0.334% *  0.0083% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  11.83 +/- 1.00   0.111% *  0.0156% (0.28  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  13.12 +/- 1.38   0.046% *  0.0299% (0.05 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  15.25 +/- 1.01   0.019% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66   9.76 +/- 1.10   0.324% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  12.95 +/- 1.39   0.106% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.36 +/- 1.08   0.418% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  11.94 +/- 1.56   0.098% *  0.0058% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  20.08 +/- 0.96   0.004% *  0.0877% (0.16 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  19.12 +/- 1.60   0.007% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  16.92 +/- 0.92   0.011% *  0.0073% (0.13  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  15.05 +/- 1.34   0.021% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  23.74 +/- 1.45   0.001% *  0.0532% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  24.11 +/- 1.31   0.001% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  16.36 +/- 1.21   0.016% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.48 +/- 1.78   0.006% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  22.76 +/- 0.89   0.002% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  18.51 +/- 0.93   0.006% *  0.0067% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  21.37 +/- 1.82   0.003% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  21.64 +/- 1.53   0.002% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  25.22 +/- 1.10   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 = 0.81, support = 6.99, residual support = 288.7:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.11 +/- 0.22  26.259% * 87.6744% (1.00  10.0 10.00   7.96 315.59) =  79.046%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  73.579% *  8.2944% (0.09  10.0  1.00   3.34 187.01) =  20.954%  kept
        T QD    LYS+  65 - QD    LYS+  66   6.46 +/- 0.91   0.049% *  0.1088% (0.12   1.0 10.00   0.02  25.18) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66  10.58 +/- 2.32   0.004% *  0.1090% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   7.81 +/- 0.68   0.011% *  0.0271% (0.31   1.0  1.00   0.02   2.18) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   6.64 +/- 1.35   0.057% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  14.29 +/- 1.80   0.000% *  0.4613% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  11.93 +/- 1.25   0.001% *  0.1364% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  16.37 +/- 1.75   0.000% *  0.8748% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   7.50 +/- 1.39   0.032% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  14.45 +/- 2.29   0.000% *  0.2438% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  17.39 +/- 2.11   0.000% *  0.7863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  17.75 +/- 1.39   0.000% *  0.5318% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.51 +/- 1.69   0.004% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  17.61 +/- 0.99   0.000% *  0.1368% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  15.41 +/- 2.15   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  12.93 +/- 1.13   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  17.67 +/- 0.80   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  19.65 +/- 2.85   0.000% *  0.0574% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  11.65 +/- 1.69   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  15.07 +/- 1.12   0.000% *  0.0271% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.04 +/- 1.89   0.000% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  22.56 +/- 0.84   0.000% *  0.1226% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  22.25 +/- 1.63   0.000% *  0.0859% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  14.91 +/- 1.58   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.72 +/- 1.98   0.000% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  20.25 +/- 1.13   0.000% *  0.0380% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  17.32 +/- 2.09   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  20.07 +/- 1.11   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  23.51 +/- 1.20   0.000% *  0.0107% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 7.14, residual support = 315.6:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.91 +/- 0.06  97.131% * 99.3656% (1.00  10.0 10.00   7.14 315.59) =  99.999%  kept
          QG2   VAL  107 - HD2   LYS+ 121   8.24 +/- 0.83   0.230% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   7.35 +/- 0.58   0.409% *  0.0307% (0.31   1.0  1.00   0.02   5.93) =   0.000%
          QB    ALA   20 - HD3   LYS+  74   6.67 +/- 0.60   0.838% *  0.0124% (0.12   1.0  1.00   0.02   8.19) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  11.91 +/- 2.17   0.039% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   8.27 +/- 2.29   1.144% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  11.72 +/- 1.75   0.085% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  10.70 +/- 0.83   0.046% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  12.18 +/- 1.73   0.034% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  20.28 +/- 1.10   0.001% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  17.99 +/- 2.94   0.015% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  20.01 +/- 1.19   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  12.70 +/- 0.93   0.016% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  15.27 +/- 0.76   0.005% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  19.41 +/- 1.79   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  16.93 +/- 1.38   0.003% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  17.34 +/- 0.84   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  20.59 +/- 0.87   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.55, residual support = 315.6:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.86 +/- 0.06  90.822% * 99.1222% (1.00  10.0 10.00   6.55 315.59) =  99.999%  kept
          QD2   LEU  123 - QD    LYS+  66   4.98 +/- 1.18   6.831% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD3   LYS+  74   7.61 +/- 0.75   0.327% *  0.0527% (0.05   1.0 10.00   0.02  40.49) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74   8.93 +/- 1.66   1.740% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD2   LYS+ 121   8.66 +/- 0.53   0.127% *  0.0482% (0.49   1.0  1.00   0.02   2.18) =   0.000%
        T HG3   LYS+ 121 - QD    LYS+  66  12.48 +/- 2.28   0.024% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  14.39 +/- 1.60   0.007% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  11.23 +/- 0.95   0.030% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.58 +/- 0.66   0.014% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  11.01 +/- 1.63   0.069% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  19.47 +/- 1.23   0.001% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  19.42 +/- 2.00   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  16.59 +/- 1.32   0.003% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  15.24 +/- 0.96   0.004% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  20.20 +/- 0.80   0.001% *  0.0027% (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 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 = 6.5, residual support = 315.6:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.28 +/- 0.13  93.236% * 98.9202% (1.00  10.0  1.00   6.50 315.59) =  99.998%  kept
          HB3   HIS  122 - HD2   LYS+ 121   6.60 +/- 1.55   2.087% *  0.0826% (0.84   1.0  1.00   0.02  50.05) =   0.002%
          HB3   HIS  122 - QD    LYS+  66   6.84 +/- 3.05   4.653% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   GLN   30 - HD3   LYS+  74  13.06 +/- 0.75   0.003% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  11.01 +/- 1.86   0.013% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  21.93 +/- 1.96   0.000% *  0.6795% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  19.46 +/- 0.83   0.000% *  0.0845% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  11.91 +/- 1.24   0.006% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  16.79 +/- 1.21   0.001% *  0.0129% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  17.49 +/- 1.47   0.001% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  24.17 +/- 1.53   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  18.02 +/- 0.76   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  27.50 +/- 1.00   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  24.43 +/- 0.68   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  25.41 +/- 1.73   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 67.1:
    * O T HB2   HIS  122 - HA    HIS  122   2.50 +/- 0.22  99.998% * 99.8210% (1.00  10.0 10.00   2.76  67.14) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  16.00 +/- 0.83   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.99 +/- 1.58   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 = 66.9:
    * O T HB3   HIS  122 - HA    HIS  122   2.81 +/- 0.25  91.717% * 87.6599% (1.00  10.0 10.00   3.43  67.14) =  98.753%  kept
          QE    LYS+ 121 - HA    HIS  122   6.13 +/- 1.73   8.282% * 12.2588% (0.84   1.0  1.00   3.35  50.05) =   1.247%  kept
          HG2   GLN   30 - HA    HIS  122  20.94 +/- 2.21   0.001% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  24.21 +/- 2.39   0.000% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  29.50 +/- 1.54   0.000% *  0.0360% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 67.1:
    * O T HA    HIS  122 - HB2   HIS  122   2.50 +/- 0.22  99.977% * 99.8702% (1.00  10.0 10.00   2.76  67.14) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  12.03 +/- 2.76   0.022% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  17.96 +/- 1.38   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  21.74 +/- 0.94   0.000% *  0.0249% (0.25   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 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 = 3.31, residual support = 67.1:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.342% * 99.8240% (1.00  10.0 10.00   3.31  67.14) =  99.999%  kept
          QE    LYS+ 121 - HB2   HIS  122   7.31 +/- 2.01   0.658% *  0.0834% (0.84   1.0  1.00   0.02  50.05) =   0.001%
          HG2   GLN   30 - HB2   HIS  122  19.32 +/- 2.46   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  23.12 +/- 2.73   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  27.85 +/- 1.80   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 = 67.1:
    * O T HA    HIS  122 - HB3   HIS  122   2.81 +/- 0.25  99.966% * 99.8702% (1.00  10.0 10.00   3.43  67.14) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  12.58 +/- 2.68   0.032% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.80 +/- 1.39   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  21.25 +/- 1.19   0.001% *  0.0249% (0.25   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 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 67.1:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00 100.000% * 99.8210% (1.00  10.0 10.00   3.31  67.14) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.76 +/- 1.11   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.98 +/- 1.65   0.000% *  0.0895% (0.90   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 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 = 199.4:
    * O T HB2   LEU  123 - HA    LEU  123   2.90 +/- 0.20  99.670% * 98.5720% (1.00  10.0 10.00   6.00 199.43) = 100.000%  kept
        T QD    LYS+  99 - HA    LEU  123  12.36 +/- 2.54   0.038% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LEU  123   7.90 +/- 0.15   0.262% *  0.0304% (0.31   1.0  1.00   0.02   2.18) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  16.39 +/- 0.85   0.003% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  12.77 +/- 0.95   0.016% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  17.88 +/- 3.06   0.004% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  19.17 +/- 2.40   0.002% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  20.33 +/- 1.19   0.001% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  19.94 +/- 0.65   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  20.17 +/- 2.54   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  23.14 +/- 1.00   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  27.16 +/- 2.25   0.000% *  0.0405% (0.41   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 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 199.4:
    * O T HB3   LEU  123 - HA    LEU  123   2.58 +/- 0.19  99.996% * 99.6484% (1.00  10.0 10.00   5.52 199.43) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  15.89 +/- 0.96   0.002% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  20.52 +/- 3.23   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.64 +/- 0.70   0.000% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  19.67 +/- 1.75   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  24.38 +/- 1.31   0.000% *  0.0197% (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 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 199.4:
    * O T HG    LEU  123 - HA    LEU  123   3.42 +/- 0.68  79.168% * 98.6685% (0.69  10.0 10.00   5.42 199.43) =  99.971%  kept
          HG3   PRO   68 - HA    LEU  123   9.22 +/- 3.85  16.034% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.027%
          QB    LYS+  66 - HA    LEU  123   6.38 +/- 0.91   4.695% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    LEU  123  12.08 +/- 0.77   0.059% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  17.24 +/- 1.53   0.010% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  15.70 +/- 0.84   0.013% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  19.05 +/- 2.43   0.004% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  18.62 +/- 2.87   0.006% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  20.83 +/- 3.06   0.003% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  17.62 +/- 2.37   0.007% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  23.66 +/- 1.31   0.001% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  24.77 +/- 1.66   0.001% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  28.72 +/- 1.09   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  29.45 +/- 1.58   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 199.4:
    *   T QD1   LEU  123 - HA    LEU  123   2.47 +/- 0.72  97.625% * 99.6081% (1.00 10.00   6.05 199.43) =  99.998%  kept
          QG1   VAL   70 - HA    LEU  123   8.39 +/- 3.03   2.202% *  0.0919% (0.92  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    LEU  123   9.34 +/- 1.90   0.144% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.97 +/- 1.39   0.016% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  14.48 +/- 3.26   0.009% *  0.0996% (1.00  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  15.49 +/- 1.46   0.005% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 1 structures by 0.22 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 199.4:
    *   T QD2   LEU  123 - HA    LEU  123   2.91 +/- 0.23  99.887% * 99.9316% (1.00 10.00   4.75 199.43) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.42 +/- 0.26   0.094% *  0.0486% (0.49  1.00   0.02   2.18) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.97 +/- 1.39   0.019% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 199.4:
    * O T HA    LEU  123 - HB2   LEU  123   2.90 +/- 0.20  99.957% * 98.7431% (1.00  10.0 10.00   6.00 199.43) = 100.000%  kept
        T HA    LYS+  99 - HB2   LEU  123  16.73 +/- 2.26   0.004% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LEU  123  12.40 +/- 0.75   0.020% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  15.99 +/- 1.17   0.004% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  16.16 +/- 2.68   0.007% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  15.26 +/- 1.19   0.006% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  23.39 +/- 2.83   0.001% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  20.35 +/- 2.08   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  25.13 +/- 2.88   0.000% *  0.0337% (0.34   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 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 = 199.4:
    * O T HG    LEU  123 - HB2   LEU  123   2.41 +/- 0.27  99.398% * 97.8726% (0.69  10.0 10.00   5.32 199.43) = 100.000%  kept
          HG3   PRO   68 - HB2   LEU  123  11.50 +/- 3.92   0.164% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   LEU  123   7.35 +/- 1.14   0.413% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  14.98 +/- 0.70   0.002% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  11.42 +/- 0.85   0.011% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  18.68 +/- 2.61   0.006% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  18.91 +/- 2.20   0.003% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  18.46 +/- 1.99   0.001% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  16.01 +/- 1.68   0.001% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  22.30 +/- 2.57   0.000% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  22.69 +/- 1.59   0.000% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  23.34 +/- 1.99   0.000% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  27.81 +/- 0.85   0.000% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  29.20 +/- 1.08   0.000% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.94, residual support = 199.4:
    * O T QD1   LEU  123 - HB2   LEU  123   2.77 +/- 0.24  99.478% * 99.6081% (1.00  10.0 10.00   5.94 199.43) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  123   9.89 +/- 2.69   0.347% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123   9.55 +/- 1.73   0.150% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  12.96 +/- 1.38   0.013% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  15.76 +/- 2.82   0.009% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  16.07 +/- 1.14   0.003% *  0.0832% (0.84   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 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 199.4:
    * O T QD2   LEU  123 - HB2   LEU  123   2.86 +/- 0.36  99.789% * 99.4960% (1.00  10.0 10.00   4.75 199.43) =  99.999%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.62 +/- 0.53   0.191% *  0.4843% (0.49   1.0 10.00   0.02   2.18) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  12.96 +/- 1.38   0.020% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 199.4:
    * O T HA    LEU  123 - HG    LEU  123   3.42 +/- 0.68  99.785% * 99.5102% (0.69  10.0 10.00   5.42 199.43) = 100.000%  kept
          HA    ASP- 113 - HG    LEU  123  12.14 +/- 1.03   0.095% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU  123  14.76 +/- 1.70   0.032% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  13.76 +/- 1.63   0.046% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  17.23 +/- 2.21   0.013% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  16.43 +/- 2.59   0.021% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  19.50 +/- 2.09   0.005% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  23.69 +/- 2.73   0.002% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  24.36 +/- 2.86   0.001% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.32, residual support = 199.4:
    * O T HB2   LEU  123 - HG    LEU  123   2.41 +/- 0.27  99.878% * 96.6014% (0.69  10.0 10.00   5.32 199.43) = 100.000%  kept
          HB2   LYS+ 121 - HG    LEU  123   7.59 +/- 0.61   0.105% *  0.0298% (0.21   1.0  1.00   0.02   2.18) =   0.000%
        T QD    LYS+  65 - HG    LEU  123  12.45 +/- 1.37   0.007% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  20.10 +/- 2.41   0.001% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.57 +/- 1.33   0.001% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  18.25 +/- 2.12   0.001% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  14.00 +/- 2.35   0.005% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  15.83 +/- 1.08   0.001% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  19.94 +/- 2.78   0.001% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  20.37 +/- 2.29   0.000% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  21.18 +/- 1.82   0.000% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  26.84 +/- 2.09   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 0.01 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 199.4:
    * O T HB3   LEU  123 - HG    LEU  123   2.73 +/- 0.12  99.991% * 97.8109% (0.69  10.0 10.00   5.12 199.43) = 100.000%  kept
        T HD3   LYS+ 111 - HG    LEU  123  18.39 +/- 1.19   0.001% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  21.79 +/- 2.68   0.001% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG    LEU  123  14.26 +/- 1.02   0.006% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  22.12 +/- 1.77   0.000% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  18.89 +/- 1.86   0.001% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 199.4:
    * O T QD1   LEU  123 - HG    LEU  123   2.13 +/- 0.01  99.642% * 99.6081% (0.69  10.0 10.00   5.61 199.43) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123   9.67 +/- 2.61   0.121% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123   8.64 +/- 2.45   0.233% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  15.47 +/- 2.81   0.002% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  13.81 +/- 1.46   0.002% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  15.17 +/- 1.59   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 = 4.44, residual support = 199.4:
    * O T QD2   LEU  123 - HG    LEU  123   2.12 +/- 0.01  99.986% * 99.9316% (0.69  10.0 10.00   4.44 199.43) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.62 +/- 0.52   0.012% *  0.0486% (0.33   1.0  1.00   0.02   2.18) =   0.000%
          HB3   LEU  104 - HG    LEU  123  13.81 +/- 1.46   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 = 6.05, residual support = 199.4:
    *   T HA    LEU  123 - QD1   LEU  123   2.47 +/- 0.72  99.817% * 99.5102% (1.00 10.00   6.05 199.43) = 100.000%  kept
          HA    ASP- 113 - QD1   LEU  123  10.55 +/- 0.97   0.099% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU  123  12.18 +/- 1.08   0.017% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  13.33 +/- 2.01   0.013% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  11.13 +/- 1.45   0.030% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  12.61 +/- 2.38   0.017% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  18.68 +/- 2.46   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  15.27 +/- 2.12   0.004% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  19.44 +/- 2.47   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 5.94, residual support = 199.4:
    * O T HB2   LEU  123 - QD1   LEU  123   2.77 +/- 0.24  98.319% * 99.3293% (1.00  10.0 10.00   5.94 199.43) =  99.999%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.68 +/- 0.28   1.510% *  0.0307% (0.31   1.0  1.00   0.02   2.18) =   0.000%
          QD    LYS+  99 - QD1   LEU  123  10.78 +/- 2.12   0.063% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD1   LEU  123   9.89 +/- 1.48   0.069% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.72 +/- 0.79   0.013% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  15.04 +/- 1.29   0.005% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.83 +/- 0.89   0.005% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  16.07 +/- 2.04   0.004% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  15.97 +/- 2.22   0.005% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  15.73 +/- 2.24   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  17.43 +/- 1.06   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  21.52 +/- 1.97   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 0.10 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 199.4:
    * O T HB3   LEU  123 - QD1   LEU  123   2.93 +/- 0.36  99.940% * 99.6484% (1.00  10.0 10.00   5.74 199.43) = 100.000%  kept
          QB    ALA   57 - QD1   LEU  123  11.59 +/- 1.08   0.038% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD1   LEU  123  14.98 +/- 1.79   0.010% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD1   LEU  123  15.48 +/- 0.87   0.005% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD1   LEU  123  17.19 +/- 2.24   0.004% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  18.33 +/- 1.35   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 199.4:
    * O T HG    LEU  123 - QD1   LEU  123   2.13 +/- 0.01  94.023% * 98.8924% (0.69  10.0 10.00   5.61 199.43) =  99.994%  kept
          HG3   PRO   68 - QD1   LEU  123   8.38 +/- 3.19   3.930% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - QD1   LEU  123   4.72 +/- 1.44   2.017% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD1   LEU  123   9.28 +/- 0.84   0.016% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  12.09 +/- 0.83   0.003% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  15.48 +/- 1.92   0.002% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  15.09 +/- 2.13   0.003% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  12.27 +/- 1.60   0.004% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  14.43 +/- 1.99   0.001% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  17.44 +/- 2.30   0.000% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  17.74 +/- 1.53   0.000% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  18.60 +/- 1.64   0.000% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  22.33 +/- 1.15   0.000% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  23.29 +/- 1.50   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 = 4.92, residual support = 199.4:
    * O T QD2   LEU  123 - QD1   LEU  123   2.10 +/- 0.06  99.937% * 99.7540% (1.00  10.0 10.00   4.92 199.43) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.42 +/- 0.44   0.055% *  0.0486% (0.49   1.0  1.00   0.02   2.18) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123  10.72 +/- 1.37   0.008% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 199.4:
    *   T HA    LEU  123 - QD2   LEU  123   2.91 +/- 0.23  99.890% * 99.5102% (1.00 10.00   4.75 199.43) = 100.000%  kept
          HA    ASP- 113 - QD2   LEU  123  11.19 +/- 0.71   0.038% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU  123  12.99 +/- 1.30   0.015% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  11.70 +/- 1.49   0.031% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  14.63 +/- 2.38   0.012% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  15.45 +/- 2.00   0.007% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  16.24 +/- 2.20   0.005% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  20.57 +/- 2.58   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  20.06 +/- 2.79   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 199.4:
    * O T HB2   LEU  123 - QD2   LEU  123   2.86 +/- 0.36  99.573% * 99.0560% (1.00  10.0 10.00   4.75 199.43) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.97 +/- 0.20   0.264% *  0.3057% (0.31   1.0 10.00   0.02   2.18) =   0.001%
          QD    LYS+  65 - QD2   LEU  123   9.97 +/- 1.53   0.101% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  12.55 +/- 2.16   0.034% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  16.40 +/- 1.54   0.004% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  15.91 +/- 0.85   0.004% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  14.67 +/- 0.78   0.007% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  18.01 +/- 1.97   0.003% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  17.19 +/- 2.53   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  17.77 +/- 2.21   0.003% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  18.98 +/- 1.23   0.002% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  23.58 +/- 1.80   0.000% *  0.0407% (0.41   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 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 199.4:
    * O T HB3   LEU  123 - QD2   LEU  123   2.30 +/- 0.36  99.991% * 99.6484% (1.00  10.0 10.00   4.43 199.43) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  12.27 +/- 1.15   0.006% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.65 +/- 0.69   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  18.60 +/- 2.50   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  16.50 +/- 1.65   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  19.04 +/- 1.46   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 199.4:
    * O T HG    LEU  123 - QD2   LEU  123   2.12 +/- 0.01  92.296% * 98.6685% (0.69  10.0 10.00   4.44 199.43) =  99.993%  kept
          HG3   PRO   68 - QD2   LEU  123   8.82 +/- 3.49   4.184% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - QD2   LEU  123   5.24 +/- 1.54   3.510% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   56 - QD2   LEU  123  13.32 +/- 1.84   0.002% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  11.58 +/- 0.74   0.004% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  14.07 +/- 0.79   0.001% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  17.78 +/- 1.87   0.001% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  17.40 +/- 2.15   0.001% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  18.45 +/- 1.70   0.000% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  18.97 +/- 2.43   0.000% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  19.69 +/- 1.91   0.000% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  16.62 +/- 1.90   0.000% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  24.18 +/- 1.07   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  25.01 +/- 1.33   0.000% *  0.0813% (0.57   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 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 199.4:
    * O T QD1   LEU  123 - QD2   LEU  123   2.10 +/- 0.06  98.958% * 99.6081% (1.00  10.0 10.00   4.92 199.43) =  99.999%  kept
          QG1   VAL   70 - QD2   LEU  123   8.51 +/- 2.49   0.434% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  123   7.95 +/- 2.30   0.598% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  13.36 +/- 2.64   0.005% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  13.05 +/- 1.45   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  12.96 +/- 1.25   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 = 9.25:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.01  99.801% * 97.4620% (1.00  10.0 10.00   1.00   9.25) = 100.000%  kept
        T HB2   LEU   31 - HA    ALA   34   7.66 +/- 0.25   0.047% *  0.0730% (0.07   1.0 10.00   0.02   4.76) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.68 +/- 0.25   0.108% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.53 +/- 1.46   0.001% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  18.13 +/- 3.81   0.001% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  10.48 +/- 0.93   0.009% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   8.83 +/- 0.78   0.022% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  16.02 +/- 3.20   0.001% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  26.48 +/- 1.42   0.000% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  26.24 +/- 3.19   0.000% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  18.62 +/- 0.54   0.000% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  19.89 +/- 2.38   0.000% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  21.04 +/- 1.33   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  11.41 +/- 0.87   0.005% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  18.79 +/- 0.93   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  22.49 +/- 1.07   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.36 +/- 0.48   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  21.64 +/- 4.18   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.86 +/- 1.09   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  22.25 +/- 1.09   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  21.06 +/- 2.94   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.24 +/- 1.36   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  14.15 +/- 1.62   0.002% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  18.54 +/- 0.49   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.32 +/- 0.69   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  23.61 +/- 2.71   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  31.56 +/- 2.20   0.000% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.99 +/- 0.94   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  28.13 +/- 1.78   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  28.52 +/- 1.52   0.000% *  0.0028% (0.03   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 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 = 9.25:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.01  99.997% * 98.8388% (1.00  10.0 10.00   1.00   9.25) = 100.000%  kept
        T HA    ALA   34 - QB    ALA  124  18.13 +/- 3.81   0.001% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.25 +/- 0.80   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  23.86 +/- 2.91   0.000% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  21.94 +/- 4.25   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  21.86 +/- 0.97   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  18.78 +/- 2.94   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  28.68 +/- 1.78   0.000% *  0.0755% (0.76   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 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 199.4:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 97.4949% (1.00  10.0 10.00   5.39 199.43) = 100.000%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  18.39 +/- 0.84   0.000% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  22.08 +/- 2.83   0.000% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  19.89 +/- 1.48   0.000% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  15.42 +/- 1.32   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  23.37 +/- 1.61   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 = 5.39, residual support = 199.4:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.982% * 96.4170% (0.99  10.0 10.00   5.39 199.43) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   7.93 +/- 0.78   0.016% *  0.0365% (0.38   1.0  1.00   0.02   2.18) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  13.43 +/- 1.29   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  18.56 +/- 0.86   0.000% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  19.72 +/- 3.05   0.000% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  20.14 +/- 2.17   0.000% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  13.82 +/- 2.67   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  16.38 +/- 1.19   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  19.64 +/- 1.25   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  27.93 +/- 2.10   0.000% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  21.47 +/- 2.38   0.000% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  22.60 +/- 1.12   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 = 5.74, residual support = 199.4:
    * O T QD1   LEU  123 - HB3   LEU  123   2.93 +/- 0.36  99.123% * 99.6081% (1.00  10.0 10.00   5.74 199.43) =  99.999%  kept
          QG1   VAL   70 - HB3   LEU  123  10.04 +/- 2.91   0.626% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123   9.89 +/- 2.09   0.221% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  15.97 +/- 3.00   0.014% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  13.84 +/- 1.61   0.012% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  16.27 +/- 1.36   0.004% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 199.4:
    * O T QD2   LEU  123 - HB3   LEU  123   2.30 +/- 0.36  99.938% * 99.9316% (1.00  10.0 10.00   4.43 199.43) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.60 +/- 0.72   0.056% *  0.0486% (0.49   1.0  1.00   0.02   2.18) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  13.84 +/- 1.61   0.006% *  0.0198% (0.20   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 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 199.4:
    * O T HG    LEU  123 - HB3   LEU  123   2.73 +/- 0.12  96.727% * 95.7694% (0.69  10.0 10.00   5.12 199.43) =  99.962%  kept
        T HG3   PRO   68 - HB3   LEU  123  11.18 +/- 4.24   2.729% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.038%
          QB    LYS+  66 - HB3   LEU  123   7.17 +/- 1.21   0.517% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  12.42 +/- 1.20   0.015% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  22.56 +/- 2.89   0.000% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  23.05 +/- 1.59   0.000% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  15.85 +/- 1.05   0.003% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  19.83 +/- 2.31   0.002% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  19.54 +/- 2.78   0.003% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  16.55 +/- 1.62   0.003% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  19.08 +/- 2.29   0.001% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  23.95 +/- 2.01   0.000% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  28.63 +/- 1.23   0.000% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  29.84 +/- 1.37   0.000% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 199.4:
    * O T HA    LEU  123 - HB3   LEU  123   2.58 +/- 0.19  99.981% * 99.5102% (1.00  10.0 10.00   5.52 199.43) = 100.000%  kept
          HA    ASP- 113 - HB3   LEU  123  13.13 +/- 0.79   0.008% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  16.42 +/- 1.10   0.002% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  17.33 +/- 2.50   0.002% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  16.65 +/- 2.91   0.003% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  15.39 +/- 1.13   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  23.83 +/- 3.11   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  20.24 +/- 2.35   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  24.88 +/- 3.15   0.000% *  0.0339% (0.34   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 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 315.6:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  99.109% * 99.2544% (1.00  10.0   5.54 315.59) =  99.997%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.91 +/- 0.22   0.869% *  0.3063% (0.31  10.0   0.02 315.59) =   0.003%
          HG    LEU  104 - HD3   LYS+ 121   9.17 +/- 1.92   0.016% *  0.0306% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  12.42 +/- 2.78   0.002% *  0.0795% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  12.22 +/- 2.35   0.002% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  12.75 +/- 2.22   0.001% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  18.17 +/- 2.39   0.000% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  20.62 +/- 1.40   0.000% *  0.0958% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  20.15 +/- 1.34   0.000% *  0.0759% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  19.23 +/- 1.30   0.000% *  0.0196% (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 = 315.6:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.66 +/- 0.28  99.758% * 99.7211% (1.00  10.0   6.28 315.59) = 100.000%  kept
          QG2   VAL  107 - HD3   LYS+ 121   8.95 +/- 1.09   0.112% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+ 121   8.83 +/- 0.67   0.099% *  0.0308% (0.31   1.0   0.02   5.93) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  11.51 +/- 1.67   0.029% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  20.90 +/- 1.30   0.001% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  19.52 +/- 2.26   0.001% *  0.0277% (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 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 315.6:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.50 +/- 0.31  99.926% * 98.9917% (1.00  10.0 10.00   5.98 315.59) = 100.000%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  12.26 +/- 1.05   0.010% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+ 121   9.54 +/- 0.69   0.059% *  0.0482% (0.49   1.0  1.00   0.02   2.18) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  15.05 +/- 1.86   0.003% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  19.68 +/- 2.40   0.001% *  0.0220% (0.22   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 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.07, residual support = 315.6:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.24 +/- 0.15  99.583% * 99.2313% (1.00  10.0  1.00   7.07 315.59) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.74 +/- 0.91   0.335% *  0.0306% (0.31   1.0  1.00   0.02   2.18) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  14.81 +/- 2.75   0.020% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  13.62 +/- 1.86   0.029% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  17.15 +/- 2.49   0.007% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  17.58 +/- 2.00   0.005% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  16.32 +/- 2.18   0.010% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  16.17 +/- 1.11   0.008% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  18.86 +/- 1.49   0.003% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  22.68 +/- 1.77   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 315.6:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.43 +/- 0.14  99.190% * 99.7880% (1.00  10.0   5.89 315.59) =  99.999%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.54 +/- 1.78   0.810% *  0.0833% (0.84   1.0   0.02  50.05) =   0.001%
          HG2   GLN   30 - HD3   LYS+ 121  22.53 +/- 2.33   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  24.37 +/- 1.95   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  28.36 +/- 0.85   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 315.5:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.24 +/- 0.53  73.822% * 99.1042% (1.00 10.00   6.64 315.59) =  99.971%  kept
          QB    SER  117 - HD3   LYS+ 121   5.88 +/- 1.96  23.471% *  0.0828% (0.84  1.00   0.02   0.02) =   0.027%
          HA    ALA  120 - HD3   LYS+ 121   7.60 +/- 0.68   2.492% *  0.0757% (0.76  1.00   0.02   1.78) =   0.003%
        T HA    LYS+  65 - HD3   LYS+ 121  17.30 +/- 2.27   0.039% *  0.3381% (0.34 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  15.89 +/- 1.02   0.035% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+ 121  13.19 +/- 0.99   0.121% *  0.0276% (0.28  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  20.19 +/- 1.89   0.011% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  24.60 +/- 1.35   0.002% *  0.0937% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  25.23 +/- 1.36   0.002% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  22.93 +/- 1.11   0.004% *  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 = 7.63, residual support = 315.6:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.77 +/- 0.08  97.987% * 99.7211% (0.84  10.0 10.00   7.63 315.59) =  99.999%  kept
          HG13  ILE  103 - HB3   LYS+ 121  11.37 +/- 2.29   1.718% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HB3   LYS+ 121   9.03 +/- 0.52   0.095% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB3   LYS+ 121   8.03 +/- 0.62   0.199% *  0.0308% (0.26   1.0  1.00   0.02   5.93) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  19.95 +/- 1.08   0.001% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  18.81 +/- 1.90   0.001% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 6.96, residual support = 315.6:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.33 +/- 0.15  99.936% * 99.5295% (0.84  10.0 10.00   6.96 315.59) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.37 +/- 0.24   0.054% *  0.0484% (0.41   1.0  1.00   0.02   2.18) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  14.07 +/- 1.29   0.003% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  12.10 +/- 1.07   0.007% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  18.96 +/- 1.88   0.001% *  0.0222% (0.19   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 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.74, residual support = 315.6:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.977% * 97.1314% (0.84  10.0 10.00   8.74 315.59) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   7.29 +/- 0.59   0.022% *  0.0300% (0.26   1.0  1.00   0.02   2.18) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  13.70 +/- 1.93   0.001% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  16.36 +/- 2.05   0.000% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  16.20 +/- 1.30   0.000% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  15.68 +/- 1.06   0.000% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  15.62 +/- 1.16   0.000% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  16.44 +/- 1.80   0.000% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  17.91 +/- 1.56   0.000% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  22.37 +/- 1.87   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 = 0.822, support = 6.83, residual support = 289.4:
    *     QE    LYS+ 121 - HB3   LYS+ 121   4.05 +/- 0.28  84.959% * 61.0064% (0.84  1.00   7.01 315.59) =  90.145%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.80 +/- 0.89  15.033% * 37.6929% (0.70  1.00   5.18  50.05) =   9.855%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  21.51 +/- 1.57   0.004% *  1.1957% (0.57 10.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  23.78 +/- 1.60   0.002% *  0.0780% (0.37  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  27.94 +/- 1.31   0.001% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 8.15, residual support = 315.6:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.67 +/- 0.24  98.442% * 99.1042% (0.84  10.0 10.00   8.15 315.59) =  99.999%  kept
          QB    SER  117 - HB3   LYS+ 121   6.45 +/- 1.13   0.790% *  0.0828% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   LYS+ 121   6.17 +/- 0.23   0.741% *  0.0757% (0.64   1.0  1.00   0.02   1.78) =   0.001%
        T HA    LYS+  65 - HB3   LYS+ 121  15.68 +/- 1.56   0.004% *  0.3381% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.14 +/- 1.27   0.018% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  15.84 +/- 1.06   0.003% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  18.51 +/- 1.84   0.001% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  24.27 +/- 1.44   0.000% *  0.0937% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  25.04 +/- 1.14   0.000% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  23.08 +/- 1.10   0.000% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.795, support = 8.57, residual support = 315.6:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  73.721% * 55.3563% (0.84  10.0 10.00   8.74 315.59) =  78.371%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.11 +/- 0.22  26.270% * 42.8727% (0.65  10.0 10.00   7.96 315.59) =  21.629%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.58 +/- 2.32   0.004% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   9.42 +/- 1.31   0.005% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.98 +/- 1.70   0.000% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  17.61 +/- 0.99   0.000% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.53 +/- 1.21   0.001% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  18.52 +/- 0.96   0.000% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  19.64 +/- 0.82   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 = 0.786, support = 7.98, residual support = 309.5:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.67 +/- 0.24  45.543% * 52.0655% (0.84  10.0 10.00   8.15 315.59) =  86.754%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.80 +/- 0.34   6.323% * 40.3240% (0.65   1.0 10.00   7.51 315.59) =   9.328%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.73 +/- 0.54  47.702% *  2.2150% (0.04  10.0 10.00   5.27 162.70) =   3.866%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.05 +/- 0.59   0.378% *  3.7757% (0.06   1.0 10.00   5.46  25.18) =   0.052%
        T QD    LYS+  66 - HA    LYS+ 121  10.72 +/- 1.92   0.023% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.65 +/- 1.43   0.014% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.19 +/- 1.29   0.001% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.08 +/- 0.96   0.000% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.12 +/- 1.38   0.004% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.21 +/- 0.82   0.002% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.68 +/- 1.56   0.001% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.04 +/- 1.99   0.001% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.53 +/- 1.04   0.000% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.69 +/- 1.01   0.004% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.26 +/- 0.96   0.002% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  20.93 +/- 1.07   0.000% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.64 +/- 1.62   0.000% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.46 +/- 1.18   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 = 0.951, support = 6.57, residual support = 308.0:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.24 +/- 0.53  18.352% * 97.6597% (1.00   1.0 10.00   6.64 315.59) =  95.017%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.04 +/- 0.59  77.477% *  1.2130% (0.01  10.0 10.00   5.27 162.70) =   4.982%  kept
          QB    ALA   61 - HA    LYS+  65   6.01 +/- 0.59   2.090% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.52 +/- 0.82   1.880% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.28 +/- 1.44   0.019% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.41 +/- 1.25   0.003% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  15.15 +/- 1.79   0.008% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  12.49 +/- 1.72   0.021% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.86 +/- 1.59   0.015% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.30 +/- 2.27   0.004% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  14.91 +/- 0.67   0.007% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  22.88 +/- 2.11   0.001% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  11.42 +/- 1.37   0.039% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.65 +/- 0.82   0.013% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.90 +/- 1.12   0.001% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  22.19 +/- 2.09   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.03 +/- 0.86   0.040% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.70 +/- 1.77   0.002% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.55 +/- 1.23   0.009% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  19.97 +/- 1.71   0.002% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.70 +/- 1.34   0.004% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  26.32 +/- 1.13   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.21 +/- 1.83   0.000% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  26.18 +/- 1.50   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   0.010% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  18.16 +/- 1.91   0.003% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  22.66 +/- 1.15   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  22.14 +/- 1.06   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 0.05 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 = 6.14, residual support = 227.3:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.798% * 98.6779% (1.00  10.0 10.00   6.14 227.29) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.44 +/- 0.62   0.154% *  0.0305% (0.31   1.0  1.00   0.02  16.00) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   7.27 +/- 1.47   0.034% *  0.0927% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU  115  10.41 +/- 1.51   0.004% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.64 +/- 1.55   0.000% *  0.7902% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40   9.87 +/- 1.80   0.006% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.80 +/- 0.91   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.08 +/- 1.30   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  17.84 +/- 1.66   0.000% *  0.1158% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  18.54 +/- 2.92   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  11.96 +/- 0.99   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.11 +/- 1.49   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  19.00 +/- 1.36   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  16.71 +/- 0.89   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  20.80 +/- 0.99   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.99 +/- 1.65   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 = 6.21, residual support = 232.0:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.989% * 98.3538% (1.00  10.0 10.00   6.21 232.04) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112   9.40 +/- 1.58   0.010% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  19.38 +/- 1.89   0.000% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  17.92 +/- 2.68   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.94 +/- 0.65   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  14.76 +/- 1.45   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  16.78 +/- 1.38   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  18.57 +/- 1.23   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  21.75 +/- 1.84   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.45 +/- 1.02   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.57 +/- 1.71   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  26.47 +/- 1.99   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  30.02 +/- 1.86   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  29.31 +/- 2.18   0.000% *  0.0517% (0.53   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 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 = 0.932, support = 4.38, residual support = 232.0:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  92.099% * 56.6026% (0.95  10.0   4.30 232.04) =  93.872%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.07 +/- 0.65   7.867% * 43.2573% (0.72  10.0   5.66 232.04) =   6.128%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   7.95 +/- 1.57   0.033% *  0.0212% (0.36   1.0   0.02  27.98) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  13.02 +/- 1.36   0.001% *  0.0453% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  18.33 +/- 2.12   0.000% *  0.0175% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  24.30 +/- 2.88   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 = 6.84, residual support = 315.4:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  84.526% * 99.3620% (1.00  10.0   6.84 315.43) =  99.990%  kept
          QB    GLU- 114 - HB3   LYS+ 111   2.96 +/- 1.34  15.473% *  0.0563% (0.57   1.0   0.02   2.41) =   0.010%
          HB    ILE  119 - HB3   LYS+ 111  11.20 +/- 1.18   0.002% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  24.07 +/- 1.24   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  24.16 +/- 2.00   0.000% *  0.0862% (0.87   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  24.70 +/- 1.33   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  23.42 +/- 2.71   0.000% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  23.69 +/- 1.45   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  26.38 +/- 1.76   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  30.53 +/- 1.75   0.000% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  24.72 +/- 1.77   0.000% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  26.22 +/- 1.71   0.000% *  0.0276% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.48 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 = 4.59, residual support = 60.2:
    * O T QG1   VAL  107 - HA    VAL  107   2.23 +/- 0.27  99.946% * 99.5482% (1.00  10.0 10.00   4.59  60.18) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.67 +/- 1.04   0.009% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.20 +/- 1.23   0.033% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          HG    LEU   63 - HA    VAL  107  11.88 +/- 1.54   0.010% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HA    VAL  107  17.78 +/- 0.92   0.000% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    VAL  107  18.56 +/- 1.30   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.16 +/- 0.84   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.2:
    * O T QG2   VAL  107 - HA    VAL  107   2.66 +/- 0.15  99.855% * 99.7501% (1.00  10.0 10.00   3.63  60.18) = 100.000%  kept
          HG13  ILE  103 - HA    VAL  107  10.19 +/- 0.64   0.036% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    VAL  107  10.97 +/- 0.77   0.026% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.20 +/- 1.23   0.081% *  0.0154% (0.15   1.0  1.00   0.02   0.11) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.42 +/- 0.65   0.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.16 +/- 0.84   0.001% *  0.0135% (0.14   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 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.998, support = 3.21, residual support = 42.3:
    * O T HB3   ASP- 105 - HA    ASP- 105   3.01 +/- 0.05  92.371% * 83.8603% (1.00  10.0 10.00   3.19  42.61) =  98.717%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.69 +/- 0.04   6.488% * 15.5056% (0.87   1.0  1.00   4.26  21.98) =   1.282%  kept
          HB    ILE  103 - HA    ASP- 105   6.83 +/- 0.28   0.709% *  0.0831% (0.99   1.0  1.00   0.02   2.54) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.54 +/- 0.44   0.406% *  0.0129% (0.15   1.0  1.00   0.02   2.54) =   0.000%
          HG    LEU  123 - HA    ASP- 105  14.38 +/- 0.90   0.009% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  18.47 +/- 2.13   0.002% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  15.95 +/- 1.28   0.005% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  18.74 +/- 1.12   0.002% *  0.0793% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  18.93 +/- 0.54   0.002% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.67 +/- 1.03   0.002% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  21.36 +/- 0.84   0.001% *  0.0752% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  22.90 +/- 0.88   0.000% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  20.33 +/- 1.05   0.001% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.44 +/- 0.76   0.002% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.4, residual support = 42.6:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.975% * 99.5527% (0.95  10.0 10.00   3.40  42.61) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   8.80 +/- 0.58   0.007% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105   7.93 +/- 1.01   0.015% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  11.33 +/- 1.48   0.002% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  14.71 +/- 0.91   0.000% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  17.87 +/- 1.14   0.000% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  21.82 +/- 0.87   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.19 +/- 1.15   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.57 +/- 1.07   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 = 4.89, residual support = 141.3:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.999% * 66.9933% (1.00  10.0  1.00   4.72 136.15) =  67.312%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.999% * 32.5339% (0.49  10.0  1.00   5.25 151.95) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  12.15 +/- 2.01   0.001% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.43 +/- 1.30   0.001% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  12.07 +/- 1.61   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  19.13 +/- 1.02   0.000% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  19.80 +/- 1.36   0.000% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  18.67 +/- 2.48   0.000% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  20.82 +/- 0.87   0.000% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  16.92 +/- 1.07   0.000% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  21.13 +/- 1.33   0.000% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  17.60 +/- 1.88   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  21.95 +/- 1.25   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  18.40 +/- 0.98   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  22.31 +/- 2.39   0.000% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  23.43 +/- 1.04   0.000% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  23.73 +/- 1.69   0.000% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.95 +/- 1.71   0.000% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.35 +/- 2.11   0.000% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  28.73 +/- 1.87   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 = 4.31, residual support = 138.1:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.920% * 99.2815% (0.80  10.0 10.00   4.31 138.15) = 100.000%  kept
          HB    VAL   41 - HG13  ILE  103   7.45 +/- 1.83   0.037% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE  103   6.52 +/- 0.38   0.040% *  0.0900% (0.73   1.0  1.00   0.02  22.38) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  15.98 +/- 2.57   0.001% *  0.1237% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  12.77 +/- 1.28   0.001% *  0.0702% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  18.24 +/- 2.56   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.13 +/- 1.27   0.000% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.82 +/- 1.85   0.000% *  0.0752% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  21.46 +/- 1.39   0.000% *  0.0652% (0.53   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 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 = 187.0:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.978% * 99.4757% (0.80  10.0   5.69 187.01) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   7.43 +/- 0.60   0.020% *  0.0654% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  12.52 +/- 1.36   0.001% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  15.68 +/- 0.72   0.000% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  16.27 +/- 1.71   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  15.54 +/- 1.64   0.000% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.28 +/- 1.00   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.87 +/- 1.30   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.00 +/- 1.25   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  19.96 +/- 1.33   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 = 5.16, residual support = 215.7:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.996% * 99.3078% (1.00  10.0 10.00   5.16 215.68) = 100.000%  kept
          HG2   LYS+  74 - HG13  ILE   89  10.73 +/- 1.38   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  14.82 +/- 1.65   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  19.99 +/- 0.94   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  17.40 +/- 2.26   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  17.85 +/- 0.71   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  17.39 +/- 1.21   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  18.38 +/- 1.09   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   2.14 +/- 0.01  99.930% * 99.6237% (1.00  10.0 10.00   2.81  24.31) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   8.42 +/- 1.11   0.041% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   9.45 +/- 1.33   0.022% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  12.69 +/- 1.61   0.003% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.13 +/- 1.36   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  15.75 +/- 1.51   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  19.83 +/- 1.33   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.46 +/- 1.29   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  18.29 +/- 1.71   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  25.35 +/- 2.13   0.000% *  0.0154% (0.15   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 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  10.11) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51  10.34 +/- 0.94   0.003% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  13.42 +/- 0.73   0.001% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  20.77 +/- 1.13   0.000% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  17.86 +/- 1.24   0.000% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.95 +/- 0.67   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.93 +/- 0.82   0.000% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  22.38 +/- 1.52   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  31.04 +/- 1.15   0.000% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  37.82 +/- 3.20   0.000% *  0.0366% (0.38   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 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 63.0:
    * O T QG2   VAL   24 - QG1   VAL   24   2.04 +/- 0.05  99.999% * 99.5951% (1.00  10.0 10.00   2.70  63.02) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  16.03 +/- 1.17   0.001% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  19.19 +/- 2.14   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  23.27 +/- 1.72   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 = 6.3, residual support = 157.0:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.986% * 99.4743% (1.00  10.0 10.00   6.30 157.03) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.38 +/- 0.45   0.009% *  0.0918% (0.92   1.0  1.00   0.02   8.29) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  11.78 +/- 2.65   0.003% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  13.98 +/- 2.91   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  20.37 +/- 2.50   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  19.89 +/- 1.22   0.000% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  19.54 +/- 2.57   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  26.82 +/- 1.16   0.000% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  16.82 +/- 1.24   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.40 +/- 1.48   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.32 +/- 0.74   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  28.55 +/- 1.30   0.000% *  0.0185% (0.19   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 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 = 4.6, residual support = 151.9:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.79 +/- 0.34  96.436% * 99.0807% (1.00  10.0   4.60 151.95) =  99.999%  kept
          HB2   ASP-  78 - QG    LYS+  81   5.31 +/- 0.34   2.404% *  0.0307% (0.31   1.0   0.02   0.80) =   0.001%
          HB2   ASN   35 - HG2   LYS+  33   7.68 +/- 0.63   0.273% *  0.0338% (0.34   1.0   0.02   1.20) =   0.000%
          HB2   ASP-  76 - QG    LYS+  81   6.69 +/- 0.54   0.694% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33  10.11 +/- 0.90   0.064% *  0.0971% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.62 +/- 0.35   0.069% *  0.0326% (0.33   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  12.53 +/- 1.46   0.018% *  0.0413% (0.42   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  14.19 +/- 0.53   0.007% *  0.0465% (0.47   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  12.46 +/- 1.87   0.020% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  17.67 +/- 2.29   0.003% *  0.0889% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  18.07 +/- 0.75   0.002% *  0.0681% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  19.59 +/- 0.86   0.001% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  18.98 +/- 1.16   0.001% *  0.0474% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  19.92 +/- 0.78   0.001% *  0.0601% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  21.02 +/- 1.12   0.001% *  0.0539% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  18.96 +/- 1.14   0.001% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  18.94 +/- 1.19   0.001% *  0.0205% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.18 +/- 1.07   0.000% *  0.0641% (0.65   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  21.22 +/- 1.15   0.001% *  0.0425% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  21.99 +/- 1.35   0.000% *  0.0389% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  19.98 +/- 1.09   0.001% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  20.38 +/- 1.18   0.001% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.32 +/- 0.96   0.000% *  0.0162% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  27.05 +/- 0.74   0.000% *  0.0073% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 5.68, residual support = 152.0:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.27 +/- 0.08  99.997% * 98.2551% (1.00  10.0 10.00   5.68 151.95) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+  33  18.40 +/- 0.86   0.000% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  33  18.88 +/- 0.52   0.000% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  14.82 +/- 0.88   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  16.32 +/- 0.83   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  19.59 +/- 1.65   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  25.98 +/- 1.63   0.000% *  0.0478% (0.49   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 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.83, residual support = 216.8:
    *     QE    LYS+  38 - HA    LYS+  38   4.49 +/- 0.27  64.211% * 93.9971% (1.00  1.00   4.84 218.54) =  99.048%  kept
          QE    LYS+  99 - HA    GLU- 100   6.22 +/- 0.89  12.766% *  4.2516% (0.05  1.00   4.04  39.37) =   0.891%  kept
          QE    LYS+  99 - HA    LYS+  38   6.79 +/- 1.56   9.590% *  0.3485% (0.90  1.00   0.02   0.02) =   0.055%
          QE    LYS+  38 - HA    GLU- 100   6.72 +/- 1.47   9.461% *  0.0235% (0.06  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HA    LYS+  38  11.70 +/- 1.63   0.262% *  0.3587% (0.92  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HA    GLU- 100   8.08 +/- 1.24   3.329% *  0.0217% (0.06  1.00   0.02   0.02) =   0.001%
        T HB3   TRP   27 - HA    LYS+  38  16.50 +/- 0.34   0.027% *  0.8651% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    LYS+  38  14.16 +/- 1.05   0.073% *  0.0769% (0.20  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  15.91 +/- 1.24   0.038% *  0.0523% (0.01 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.53 +/- 0.44   0.244% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.91, support = 4.68, residual support = 158.4:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.54 +/- 0.47  53.923% * 54.8141% (1.00  10.0 10.00   4.29 162.70) =  60.271%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.65 +/- 0.59  45.895% * 42.4513% (0.77  10.0 10.00   5.27 151.95) =  39.729%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.14 +/- 0.48   0.138% *  0.0287% (0.52   1.0  1.00   0.02   1.20) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.38 +/- 1.75   0.028% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  16.84 +/- 2.59   0.002% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.33 +/- 2.14   0.001% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.32 +/- 1.73   0.001% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.77 +/- 1.92   0.005% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.57 +/- 3.26   0.000% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.29 +/- 0.73   0.000% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.28 +/- 0.85   0.003% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.34 +/- 1.06   0.000% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  16.56 +/- 2.23   0.001% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.28 +/- 1.97   0.001% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.53 +/- 1.33   0.000% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.59 +/- 0.79   0.000% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.29 +/- 1.29   0.000% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.31 +/- 1.46   0.000% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  23.95 +/- 1.56   0.000% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  25.19 +/- 0.93   0.000% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.72 +/- 1.30   0.000% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  24.05 +/- 1.37   0.000% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.54 +/- 1.12   0.000% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  28.70 +/- 1.64   0.000% *  0.0167% (0.31   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 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 = 4.34, residual support = 92.0:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.32 +/- 0.10  99.993% * 99.1144% (1.00  10.0 10.00   4.34  91.98) = 100.000%  kept
        T QG    GLN   90 - HG3   GLU-  29  19.85 +/- 1.62   0.000% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG3   GLU-  29  15.70 +/- 2.15   0.002% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  14.87 +/- 2.15   0.002% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  17.03 +/- 0.84   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  16.94 +/- 0.98   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  17.92 +/- 1.22   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  17.44 +/- 0.81   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  25.28 +/- 1.22   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  26.35 +/- 1.41   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  28.23 +/- 1.30   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 92.0:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 99.6674% (1.00  10.0 10.00   4.11  91.98) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  15.28 +/- 0.98   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  18.53 +/- 0.65   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  18.51 +/- 1.04   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  26.75 +/- 1.24   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  28.81 +/- 2.26   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.60 +/- 0.88   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.4:
    * O T QG    GLN   17 - HB3   GLN   17   2.36 +/- 0.10  99.985% * 98.5118% (0.76  10.0 10.00   4.31  84.37) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  11.28 +/- 1.54   0.013% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  17.94 +/- 0.70   0.001% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  17.80 +/- 1.22   0.001% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.89 +/- 0.81   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  20.67 +/- 1.63   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.29 +/- 1.07   0.000% *  0.0440% (0.34   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 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HA    GLN   17 - HB3   GLN   17   2.89 +/- 0.25  92.951% * 99.5390% (1.00  10.0 10.00   4.00  84.37) =  99.996%  kept
          HA    GLU-  15 - HB3   GLN   17   4.76 +/- 0.51   6.961% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   13 - HB3   GLN   17  10.23 +/- 0.69   0.059% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  12.85 +/- 1.05   0.014% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  14.24 +/- 0.59   0.007% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  17.47 +/- 1.24   0.002% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  17.88 +/- 1.84   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  16.19 +/- 1.03   0.003% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.843% * 97.4347% (1.00  10.0 10.00   4.00  84.37) =  99.999%  kept
        T QB    GLU-  15 - HB3   GLN   17   5.97 +/- 0.59   0.106% *  0.9743% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB3   GLN   17  10.18 +/- 3.45   0.015% *  0.7802% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   GLN   17   7.11 +/- 0.80   0.032% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  12.91 +/- 1.24   0.001% *  0.4006% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  11.64 +/- 2.55   0.003% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  13.20 +/- 1.03   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.54 +/- 0.89   0.000% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  17.51 +/- 1.00   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  22.02 +/- 0.92   0.000% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  25.76 +/- 1.27   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  21.95 +/- 1.69   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 = 0.893, support = 3.13, residual support = 47.1:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.82 +/- 0.22  64.356% * 72.0932% (1.00  10.0 10.00   2.96  47.73) =  82.974%  kept
      O T HG3   MET   11 - HA    MET   11   3.21 +/- 0.65  35.572% * 26.7625% (0.37  10.0 10.00   4.00  44.08) =  17.025%  kept
        T HG3   MET   11 - HA    GLU-  14  11.06 +/- 0.86   0.024% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HA    MET   11  10.45 +/- 1.43   0.045% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.13 +/- 1.53   0.002% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.46 +/- 1.68   0.000% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  20.56 +/- 1.10   0.001% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.28 +/- 3.15   0.000% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.63 +/- 2.72   0.000% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  29.62 +/- 2.33   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.95 +/- 1.47   0.000% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  38.37 +/- 2.27   0.000% *  0.0044% (0.06   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 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 62.2:
    * O T HB2   MET   92 - HA    MET   92   2.86 +/- 0.24  99.613% * 99.5277% (1.00  10.0 10.00   3.87  62.17) = 100.000%  kept
          HB    ILE   56 - HA    MET   92   9.10 +/- 1.88   0.194% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    MET   92   8.54 +/- 0.70   0.149% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  11.61 +/- 0.43   0.024% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  15.69 +/- 1.18   0.005% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  13.20 +/- 1.75   0.014% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  21.27 +/- 1.24   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  30.04 +/- 0.83   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  24.06 +/- 1.07   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  28.37 +/- 2.14   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  38.40 +/- 2.22   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.23, residual support = 61.7:
    * O T HB3   MET   92 - HA    MET   92   2.77 +/- 0.20  95.864% * 83.8266% (1.00  10.0 10.00   4.22  62.17) =  99.243%  kept
          HG3   PRO   93 - HA    MET   92   4.91 +/- 0.65   3.943% * 15.5554% (0.76   1.0  1.00   4.86   1.72) =   0.757%  kept
          QG1   ILE   56 - HA    MET   92   8.51 +/- 1.24   0.157% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    MET   92  12.18 +/- 1.87   0.023% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  13.06 +/- 0.54   0.010% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  17.58 +/- 1.36   0.002% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.41 +/- 0.56   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  22.94 +/- 1.45   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  22.12 +/- 1.29   0.000% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  28.04 +/- 0.99   0.000% *  0.1866% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 62.2:
    * O T HG2   MET   92 - HA    MET   92   2.68 +/- 0.42  77.251% * 99.5593% (1.00  10.0 10.00   2.49  62.17) =  99.981%  kept
          HG2   PRO   52 - HA    MET   92   4.58 +/- 2.14  22.710% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.019%
          QG    GLU- 114 - HA    MET   92  10.95 +/- 1.30   0.029% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  14.86 +/- 2.13   0.011% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  25.66 +/- 1.77   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  31.96 +/- 1.44   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  34.09 +/- 1.79   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 62.2:
    * O T HG3   MET   92 - HA    MET   92   3.20 +/- 0.62  99.002% * 99.3565% (1.00  10.0 10.00   3.97  62.17) =  99.999%  kept
          QG    GLN   90 - HA    MET   92   8.29 +/- 0.77   0.758% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  12.22 +/- 1.07   0.081% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   92  12.67 +/- 2.02   0.125% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  14.89 +/- 1.03   0.017% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  16.68 +/- 0.76   0.008% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  18.01 +/- 1.01   0.005% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  24.96 +/- 1.45   0.001% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  28.03 +/- 1.07   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  25.59 +/- 1.88   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  23.61 +/- 1.55   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.02 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 = 1.89, residual support = 6.03:
          HB    VAL  108 - QB    LYS+ 106   4.20 +/- 0.08  97.871% * 85.0314% (0.92  1.00   1.89   6.03) =  99.980%  kept
          HB2   PRO   93 - QB    LYS+ 106   9.17 +/- 1.02   1.140% *  0.5520% (0.57  1.00   0.02   0.02) =   0.008%
        T HB2   GLN   30 - QB    LYS+ 106  14.64 +/- 0.73   0.058% *  9.7504% (1.00 10.00   0.02   0.02) =   0.007%
          HB    ILE  119 - QB    LYS+ 106  11.54 +/- 1.06   0.279% *  0.9750% (1.00  1.00   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - QB    LYS+ 106  10.51 +/- 1.35   0.507% *  0.2171% (0.22  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QB    LYS+ 106  14.84 +/- 0.59   0.052% *  0.9664% (0.99  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QB    LYS+ 106  16.43 +/- 1.23   0.032% *  0.8458% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QB    LYS+ 106  17.67 +/- 1.22   0.020% *  0.8458% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QB    LYS+ 106  18.83 +/- 1.14   0.013% *  0.4746% (0.49  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QB    LYS+ 106  17.91 +/- 0.95   0.017% *  0.1708% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QB    LYS+ 106  18.89 +/- 0.77   0.012% *  0.1708% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 8 structures by 0.87 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 26.9:
      O   HN    ASP-  76 - HA    VAL   75   2.21 +/- 0.03  99.600% * 99.8873% (0.76  10.0   4.64  26.92) = 100.000%  kept
          HN    HIS   22 - HA    VAL   75   5.68 +/- 0.47   0.400% *  0.0636% (0.49   1.0   0.02   0.13) =   0.000%
          HN    VAL  108 - HA    VAL   75  17.04 +/- 0.63   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 = 84.2:
      O   HN    VAL   75 - HA    VAL   75   2.94 +/- 0.00  99.455% * 99.8946% (0.90  10.0   5.27  84.24) =  99.999%  kept
          HN    ASP-  78 - HA    VAL   75   7.00 +/- 0.16   0.545% *  0.1054% (0.95   1.0   0.02   0.10) =   0.001%
    Distance limit 3.64 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 = 17.9:
          HA    PHE   45 - HB    VAL   75   3.72 +/- 1.20  99.700% * 89.9031% (0.45   0.75  17.92) =  99.983%  kept
          HA    VAL   41 - HB    VAL   75  11.69 +/- 0.69   0.292% *  5.1606% (0.97   0.02   0.02) =   0.017%
          HA    HIS  122 - HB    VAL   75  20.48 +/- 1.98   0.008% *  4.9363% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 8 structures by 0.63 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 17.9:
          QD    PHE   45 - HB    VAL   75   3.95 +/- 0.88  99.972% * 98.4855% (0.87   2.00  17.92) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  17.13 +/- 1.80   0.021% *  0.7799% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  22.10 +/- 1.91   0.007% *  0.7345% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 5 structures by 0.52 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.546, support = 0.02, residual support = 0.363:
        T HZ    PHE   72 - HB    VAL   75  14.56 +/- 1.03   3.273% * 97.5882% (0.80 10.00   0.02   0.02) =  57.788%  kept
          HZ2   TRP   27 - HB    VAL   75   7.99 +/- 0.79  96.727% *  2.4118% (0.20  1.00   0.02   0.83) =  42.212%  kept
    Distance limit 4.02 A violated in 20 structures by 3.93 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.5, residual support = 84.2:
      O   HN    VAL   75 - HB    VAL   75   2.99 +/- 0.47  99.652% * 99.9348% (0.99  10.0   4.50  84.24) = 100.000%  kept
          HN    ASP-  78 - HB    VAL   75   8.01 +/- 0.39   0.348% *  0.0652% (0.65   1.0   0.02   0.10) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 17.9:
        T QE    PHE   45 - QG1   VAL   75   2.78 +/- 0.42  99.922% * 99.5846% (0.34 10.00   2.31  17.92) = 100.000%  kept
          QD    PHE   72 - QG1   VAL   75  10.04 +/- 0.47   0.068% *  0.1536% (0.53  1.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - QG1   VAL   75  13.70 +/- 0.79   0.010% *  0.2618% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.9:
          QD    PHE   45 - QG1   VAL   75   2.53 +/- 0.61  99.995% * 99.5615% (1.00   2.96  17.92) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  15.58 +/- 1.24   0.004% *  0.2302% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  19.48 +/- 1.44   0.001% *  0.2083% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.899, support = 5.13, residual support = 80.6:
          HN    VAL   75 - QG1   VAL   75   3.63 +/- 0.22  90.338% * 70.0013% (0.90   5.27  84.24) =  95.617%  kept
          HN    ASP-  78 - QG1   VAL   75   5.30 +/- 0.18   9.662% * 29.9987% (0.95   2.14   0.10) =   4.383%  kept
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 26.9:
          HN    ASP-  76 - QG1   VAL   75   2.79 +/- 0.29  99.362% * 99.1034% (0.41   4.97  26.92) =  99.999%  kept
          HN    HIS   22 - QG1   VAL   75   6.69 +/- 0.70   0.623% *  0.1920% (0.20   0.02   0.13) =   0.001%
          HN    VAL  108 - QG1   VAL   75  12.77 +/- 0.78   0.015% *  0.7046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 0.984, residual support = 2.83:
          HB2   CYS   21 - QG2   VAL   75   5.13 +/- 1.13  92.717% * 99.0182% (0.76   0.98   2.84) =  99.963%  kept
          QE    LYS+  81 - QG2   VAL   75   9.04 +/- 0.73   7.077% *  0.4610% (0.18   0.02   0.02) =   0.036%
          QE    LYS+ 111 - QG2   VAL   75  15.82 +/- 0.87   0.206% *  0.5209% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 13 structures by 1.58 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.717, support = 0.75, residual support = 15.4:
          HZ    PHE   45 - QG2   VAL   75   3.52 +/- 0.40  76.860% * 63.0260% (0.76   0.75  17.92) =  84.989%  kept
          HZ3   TRP   27 - QG2   VAL   75   5.09 +/- 1.54  23.140% * 36.9740% (0.45   0.75   0.83) =  15.011%  kept
    Distance limit 3.29 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 17.9:
          QE    PHE   45 - QG2   VAL   75   3.03 +/- 0.46  99.476% * 98.7242% (0.97   2.00  17.92) =  99.995%  kept
          QD    PHE   72 - QG2   VAL   75   8.00 +/- 0.60   0.473% *  1.0207% (1.00   0.02   0.02) =   0.005%
          HZ    PHE   72 - QG2   VAL   75  11.48 +/- 0.78   0.050% *  0.2551% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.727, support = 0.448, residual support = 0.678:
          HE3   TRP   27 - QG2   VAL   75   4.55 +/- 1.18  55.999% * 51.4094% (0.80   0.41   0.83) =  79.048%  kept
          HD2   HIS   22 - QG2   VAL   75   5.73 +/- 0.96  19.866% * 25.7804% (0.20   0.83   0.13) =  14.062%  kept
          HN    THR   23 - QG2   VAL   75   5.89 +/- 0.92  16.229% * 14.0513% (0.97   0.09   0.02) =   6.262%  kept
          QE    PHE   95 - QG2   VAL   75   7.37 +/- 1.03   7.106% *  3.0628% (0.98   0.02   0.02) =   0.598%  kept
          HD1   TRP   49 - QG2   VAL   75  11.52 +/- 1.68   0.565% *  0.9644% (0.31   0.02   0.02) =   0.015%
          QD    PHE   55 - QG2   VAL   75  13.52 +/- 1.02   0.133% *  2.7104% (0.87   0.02   0.02) =   0.010%
          HN    LEU   67 - QG2   VAL   75  13.79 +/- 0.59   0.101% *  2.0214% (0.65   0.02   0.02) =   0.006%
    Distance limit 3.48 A violated in 9 structures by 0.69 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.08, residual support = 84.2:
          HN    VAL   75 - QG2   VAL   75   2.47 +/- 0.52  99.668% * 99.5863% (0.90   5.08  84.24) =  99.999%  kept
          HN    ASP-  78 - QG2   VAL   75   7.22 +/- 0.50   0.332% *  0.4137% (0.95   0.02   0.10) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   5.99 +/- 0.53  98.378% * 48.3894% (0.61   0.02   0.02) =  98.271%  kept
          HN    VAL  108 - QG2   VAL   75  12.13 +/- 0.81   1.622% * 51.6106% (0.65   0.02   0.02) =   1.729%  kept
    Distance limit 3.91 A violated in 20 structures by 2.06 A, eliminated.
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.73, residual support = 36.0:
      O   HN    ASP-  76 - HB3   ASP-  76   3.08 +/- 0.44  99.998% * 99.4520% (0.15  10.0   3.73  36.04) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  19.13 +/- 0.98   0.002% *  0.5480% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.7, residual support = 36.0:
      O   HN    ASP-  76 - HB2   ASP-  76   2.34 +/- 0.28  99.710% * 99.6604% (0.41  10.0   3.70  36.04) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   6.46 +/- 0.90   0.282% *  0.0480% (0.20   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  19.26 +/- 0.90   0.000% *  0.1760% (0.73   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  12.91 +/- 1.55   0.005% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  17.30 +/- 1.89   0.001% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.02 +/- 1.26   0.001% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.40 +/- 0.78   0.000% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.04 +/- 0.86   0.000% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  22.29 +/- 0.60   0.000% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.519, residual support = 0.519:
          HN    LEU   80 - HA    THR   77   4.85 +/- 1.19  98.557% * 86.4262% (0.38   0.52   0.52) =  99.908%  kept
          HN    CYS   53 - HA    THR   77  12.18 +/- 0.82   0.973% *  5.3758% (0.61   0.02   0.02) =   0.061%
          HN    THR   26 - HA    THR   77  13.10 +/- 0.76   0.433% *  5.7337% (0.65   0.02   0.02) =   0.029%
          HN    ALA   34 - HA    THR   77  20.10 +/- 0.53   0.037% *  2.4643% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 11 structures by 1.38 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 = 4.63, residual support = 28.5:
      O   HN    ASP-  78 - HA    THR   77   3.49 +/- 0.04  98.750% * 99.8470% (0.65  10.0   4.63  28.48) =  99.998%  kept
          HN    VAL   75 - HA    THR   77   7.26 +/- 0.22   1.250% *  0.1530% (0.99   1.0   0.02   0.34) =   0.002%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.02, residual support = 37.8:
      O   HN    THR   77 - HA    THR   77   2.77 +/- 0.03 100.000% *100.0000% (0.53  10.0   4.02  37.76) = 100.000%  kept
    Distance limit 3.45 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 = 8.43:
        T QD    PHE   45 - QG2   THR   77   3.13 +/- 0.40 100.000% *100.0000% (0.80 10.00   2.25   8.43) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.6, residual support = 12.0:
          HN    THR   46 - QG2   THR   77   3.27 +/- 0.31  93.736% * 98.1631% (0.87   3.60  11.96) =  99.970%  kept
          HN    MET   92 - QG2   THR   77   5.73 +/- 0.92   6.064% *  0.4322% (0.69   0.02   0.02) =   0.028%
          HN    LYS+  74 - QG2   THR   77   9.40 +/- 0.47   0.185% *  0.6167% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   77  14.35 +/- 1.06   0.015% *  0.3310% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  28.73 +/- 2.04   0.000% *  0.4569% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.02, residual support = 37.8:
          HN    THR   77 - QG2   THR   77   2.10 +/- 0.27 100.000% *100.0000% (0.87   4.02  37.76) = 100.000%  kept
    Distance limit 3.03 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 = 8.19:
          HA    ALA   20 - HB2   LYS+  74   3.66 +/- 0.28  99.809% * 98.6222% (0.61   1.50   8.19) =  99.997%  kept
          HA    LEU   71 - HB2   LYS+  74  10.68 +/- 0.76   0.191% *  1.3778% (0.64   0.02   0.02) =   0.003%
    Distance limit 3.68 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.96, residual support = 8.19:
          HA    ALA   20 - HB3   LYS+  74   2.95 +/- 0.42  99.961% * 99.2963% (0.76   2.96   8.19) = 100.000%  kept
          HA    LEU   71 - HB3   LYS+  74  11.36 +/- 0.46   0.039% *  0.7037% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 187.0:
      O   HA    LYS+  74 - HB3   LYS+  74   2.96 +/- 0.08  99.978% * 99.8966% (0.80  10.0   6.20 187.01) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  13.32 +/- 0.58   0.013% *  0.0757% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  14.63 +/- 1.46   0.010% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 132.4:
      O T HA    PRO   93 - HB2   PRO   93   2.54 +/- 0.21  99.999% * 99.9221% (0.49  10.0 10.00   5.98 132.44) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.54 +/- 1.49   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 = 0.438, support = 1.71, residual support = 1.62:
          HB3   MET   92 - HB3   PRO   93   5.07 +/- 0.58  28.373% * 75.1143% (0.41  1.00   1.82   1.72) =  94.198%  kept
          QG1   ILE   56 - HB3   PRO   93   4.29 +/- 1.38  70.741% *  1.8019% (0.90  1.00   0.02   0.02) =   5.634%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.11 +/- 1.33   0.501% *  6.2013% (0.31 10.00   0.02   0.02) =   0.137%
        T HB2   LEU   73 - HB3   PRO   93  15.36 +/- 1.39   0.025% * 11.3752% (0.57 10.00   0.02   0.02) =   0.012%
          QD    LYS+ 106 - HB3   PRO   93  10.99 +/- 0.63   0.171% *  1.5355% (0.76  1.00   0.02   0.02) =   0.012%
          HB    ILE   89 - HB3   PRO   93  10.83 +/- 0.58   0.178% *  0.7541% (0.38  1.00   0.02   0.02) =   0.006%
          QD    LYS+  99 - HB3   PRO   93  18.90 +/- 0.89   0.006% *  1.6088% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PRO   93  19.68 +/- 0.86   0.005% *  1.6088% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 132.4:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.939% * 99.4465% (0.80  10.0   6.01 132.44) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   8.23 +/- 1.99   0.037% *  0.0853% (0.69   1.0   0.02   0.53) =   0.000%
          HB    VAL  108 - HB3   PRO   93   8.31 +/- 1.34   0.014% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93  10.04 +/- 1.22   0.004% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93   9.76 +/- 1.05   0.004% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  11.72 +/- 0.93   0.001% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  19.51 +/- 1.17   0.000% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  25.51 +/- 1.71   0.000% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.90 +/- 0.95   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  35.21 +/- 2.23   0.000% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.12, residual support = 132.4:
      O   HA    PRO   93 - HB3   PRO   93   2.50 +/- 0.21 100.000% *100.0000% (0.92  10.0   5.12 132.44) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB3   PRO   93   7.78 +/- 0.73 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.00 A violated in 20 structures by 3.77 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.872, support = 0.02, residual support = 1.3:
          QD1   ILE   19 - HG2   GLN   30   5.85 +/- 1.19  65.090% * 19.6388% (0.95   0.02   1.77) =  72.897%  kept
          QG1   VAL   43 - HG2   GLN   30   7.48 +/- 0.90  21.353% * 14.2607% (0.69   0.02   0.02) =  17.365%  kept
          QG1   VAL   41 - HG2   GLN   30   8.42 +/- 1.16   9.701% * 10.1053% (0.49   0.02   0.02) =   5.590%  kept
          QG2   VAL   18 - HG2   GLN   30  10.32 +/- 0.55   2.788% * 18.6188% (0.90   0.02   0.02) =   2.961%  kept
          QG2   THR   46 - HG2   GLN   30  12.48 +/- 0.63   0.852% * 20.0355% (0.97   0.02   0.02) =   0.973%  kept
          QD2   LEU  104 - HG2   GLN   30  15.58 +/- 0.98   0.217% * 17.3408% (0.84   0.02   0.02) =   0.214%
    Distance limit 3.72 A violated in 17 structures by 1.61 A, eliminated.
    Peak unassigned.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 4.91:
        T QG2   THR   26 - HG2   GLN   30   2.66 +/- 0.60  99.915% * 87.3618% (0.61 10.00   0.75   4.91) =  99.999%  kept
        T HD3   LYS+  74 - HG2   GLN   30  13.06 +/- 0.75   0.016% *  2.1746% (0.57 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   GLN   30  10.25 +/- 0.57   0.058% *  0.1310% (0.34  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  19.46 +/- 0.83   0.001% *  3.8324% (1.00 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  21.51 +/- 1.57   0.001% *  2.7891% (0.73 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  21.93 +/- 1.96   0.001% *  2.9354% (0.76 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  17.30 +/- 1.16   0.004% *  0.2789% (0.73  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  17.41 +/- 1.50   0.003% *  0.2638% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  25.82 +/- 1.46   0.000% *  0.2330% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 6.98, residual support = 232.0:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.54 +/- 0.24  99.990% * 99.8036% (0.95  10.0 10.00   6.98 232.04) = 100.000%  kept
          QB    ALA   47 - HB3   LYS+ 112  13.41 +/- 1.60   0.006% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   LYS+ 112  14.39 +/- 1.51   0.004% *  0.1018% (0.97   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 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.21, residual support = 232.0:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.60 +/- 0.25  99.994% * 99.8561% (0.73  10.0 10.00   6.21 232.04) = 100.000%  kept
          HB    THR   46 - HB3   LYS+ 112  15.57 +/- 1.87   0.004% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB3   LYS+ 112  17.01 +/- 1.36   0.002% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  25.59 +/- 1.94   0.000% *  0.0516% (0.38   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 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.67, residual support = 232.0:
      O   HN    LYS+ 112 - HB3   LYS+ 112   3.13 +/- 0.60  99.958% * 99.7523% (0.97  10.0   5.67 232.04) = 100.000%  kept
          HN    MET   92 - HB3   LYS+ 112  14.34 +/- 2.28   0.033% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  17.08 +/- 1.49   0.008% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  20.98 +/- 1.75   0.002% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  38.98 +/- 3.73   0.000% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.71, residual support = 232.0:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.54 +/- 0.51  99.898% * 99.6310% (0.84  10.0   5.71 232.04) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.61 +/- 0.73   0.098% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  19.48 +/- 1.47   0.001% *  0.0840% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  17.91 +/- 0.75   0.001% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  23.53 +/- 2.33   0.000% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  21.43 +/- 1.54   0.001% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  21.94 +/- 1.74   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  39.67 +/- 3.55   0.000% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.26, residual support = 5.48:
          HA    PHE   72 - HB    VAL   42   2.85 +/- 0.63  99.733% * 99.0439% (0.85   2.26   5.48) =  99.999%  kept
          HA    MET   96 - HB    VAL   42   8.70 +/- 0.54   0.261% *  0.1987% (0.19   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   LYS+ 112  19.89 +/- 1.70   0.002% *  0.6172% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  16.78 +/- 0.62   0.004% *  0.1402% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.79, residual support = 88.0:
      O   HN    VAL   42 - HB    VAL   42   2.37 +/- 0.10  94.852% * 85.2827% (0.80  10.0   5.81  88.74) =  99.107%  kept
          HN    LEU   73 - HB    VAL   42   4.28 +/- 0.72   5.044% * 14.4512% (0.80   1.0   3.39   1.40) =   0.893%  kept
          HN    ILE   19 - HB    VAL   42   7.60 +/- 0.53   0.096% *  0.0257% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  12.24 +/- 0.71   0.006% *  0.0598% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.70 +/- 0.54   0.002% *  0.0422% (0.40   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  19.85 +/- 1.48   0.000% *  0.0602% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  21.51 +/- 1.42   0.000% *  0.0602% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  22.03 +/- 1.77   0.000% *  0.0181% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.549, support = 1.77, residual support = 5.32:
          QD    PHE   60 - HB    VAL   42   7.33 +/- 1.51  23.494% * 83.0481% (0.66   2.00   6.23) =  78.534%  kept
          QD    PHE   55 - HB2   LYS+ 112   5.84 +/- 1.93  63.571% *  7.4662% (0.12   0.98   2.26) =  19.104%  kept
          HE3   TRP   27 - HB    VAL   42   8.47 +/- 1.29   9.339% *  6.1408% (0.22   0.45   0.02) =   2.308%  kept
          HN    LYS+  66 - HB    VAL   42  10.22 +/- 0.71   2.503% *  0.3021% (0.24   0.02   0.02) =   0.030%
          QD    PHE   60 - HB2   LYS+ 112  12.15 +/- 2.03   0.840% *  0.5861% (0.47   0.02   0.02) =   0.020%
          HN    LYS+  81 - HB    VAL   42  19.21 +/- 0.59   0.044% *  1.0771% (0.86   0.02   0.02) =   0.002%
          HN    LYS+  66 - HB2   LYS+ 112  17.18 +/- 1.89   0.103% *  0.2132% (0.17   0.02   0.02) =   0.001%
          QD    PHE   55 - HB    VAL   42  17.56 +/- 1.07   0.088% *  0.2151% (0.17   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   LYS+ 112  26.53 +/- 1.57   0.007% *  0.7601% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LYS+ 112  24.25 +/- 1.11   0.010% *  0.1912% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 13 structures by 1.21 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.463, support = 0.956, residual support = 5.48:
        T QD    PHE   72 - HB    VAL   42   3.84 +/- 0.62  90.157% * 81.1266% (0.46 10.00   0.95   5.48) =  97.973%  kept
          HZ    PHE   72 - HB    VAL   42   5.85 +/- 0.75   8.752% * 17.2763% (0.78  1.00   1.19   5.48) =   2.025%  kept
          QE    PHE   45 - HB    VAL   42   8.54 +/- 0.32   1.028% *  0.1106% (0.30  1.00   0.02   0.02) =   0.002%
        T QD    PHE   72 - HB2   LYS+ 112  16.54 +/- 1.65   0.029% *  1.2034% (0.32 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB2   LYS+ 112  17.95 +/- 2.01   0.018% *  0.2051% (0.55  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  17.21 +/- 0.71   0.016% *  0.0780% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 1 structures by 0.24 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   2.56 +/- 0.18  99.979% * 99.2681% (0.14  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA1   GLY  101  10.74 +/- 1.23   0.021% *  0.7319% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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   2.89 +/- 0.14  99.951% * 99.7871% (0.38  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA2   GLY  101  10.67 +/- 0.89   0.049% *  0.2129% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.72, residual support = 5.19:
      O   HN    SER   13 - HA    ALA   12   2.49 +/- 0.23  99.999% * 99.9814% (0.84  10.0   1.72   5.19) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  16.16 +/- 1.01   0.001% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.4:
      O   HN    ALA   12 - HA    ALA   12   2.66 +/- 0.26  99.999% * 99.8617% (0.85  10.0   2.38  12.45) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  20.06 +/- 2.74   0.001% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  28.03 +/- 1.99   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  33.55 +/- 1.69   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.29, residual support = 12.4:
      O   HN    ALA   12 - QB    ALA   12   2.83 +/- 0.09  99.993% * 99.7294% (0.46  10.0   2.29  12.45) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  16.36 +/- 2.59   0.005% *  0.1891% (0.87   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  20.02 +/- 1.74   0.001% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  22.05 +/- 2.21   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 = 12.0:
      O   HN    ALA   12 - HA    MET   11   2.52 +/- 0.18  99.863% * 99.5700% (0.65  10.0   3.51  12.01) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.20 +/- 0.65   0.134% *  0.0391% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  20.27 +/- 3.57   0.001% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  17.54 +/- 1.72   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  22.86 +/- 1.48   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  29.67 +/- 2.59   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  27.75 +/- 0.99   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  35.91 +/- 2.54   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 12.0:
          HN    ALA   12 - HG3   MET   11   3.90 +/- 0.30  97.305% * 98.7267% (0.97   3.57  12.01) =  99.995%  kept
          HN    ALA   12 - HB3   GLU-  14   8.51 +/- 1.43   2.661% *  0.1962% (0.34   0.02   0.02) =   0.005%
          HN    ASN   35 - HB3   GLU-  14  16.52 +/- 1.72   0.023% *  0.1151% (0.20   0.02   0.02) =   0.000%
          HN    ASN   35 - HG3   MET   11  21.81 +/- 3.32   0.005% *  0.3241% (0.57   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  22.42 +/- 2.01   0.004% *  0.0836% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  31.11 +/- 2.33   0.000% *  0.2354% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  27.86 +/- 1.45   0.001% *  0.0836% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  37.13 +/- 1.93   0.000% *  0.2354% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.02 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   2.42 +/- 0.12  99.978% * 99.1146% (0.92  10.0   2.10   6.66) = 100.000%  kept
          HN    GLU-  14 - HA    SER   37  14.05 +/- 2.30   0.004% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  13.17 +/- 0.28   0.004% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  13.71 +/- 0.50   0.003% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  14.01 +/- 0.52   0.003% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  17.39 +/- 2.55   0.001% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.59 +/- 2.21   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  17.64 +/- 1.87   0.001% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  20.35 +/- 2.30   0.000% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  18.10 +/- 0.54   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.11 +/- 0.34   0.002% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  19.44 +/- 2.56   0.001% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.29 +/- 0.57   0.000% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.28 +/- 2.22   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  19.17 +/- 0.54   0.000% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  24.06 +/- 1.33   0.000% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  25.73 +/- 0.53   0.000% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  30.50 +/- 1.88   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.594, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  13.39 +/- 1.45  13.889% * 21.8157% (0.99   0.02   0.02) =  28.462%  kept
          HN    LEU   73 - HA    THR   46  11.23 +/- 0.57  33.907% *  7.5418% (0.34   0.02   0.02) =  24.022%  kept
          HN    ILE   19 - HA    THR   46  12.98 +/- 0.78  14.764% * 13.2032% (0.60   0.02   0.02) =  18.311%  kept
          HN    VAL   42 - HA    SER   37  12.64 +/- 0.42  16.921% *  6.6588% (0.30   0.02   0.02) =  10.584%  kept
          HN    VAL   42 - HA    THR   46  14.87 +/- 0.33   6.336% *  7.5418% (0.34   0.02   0.02) =   4.489%  kept
          HN    LEU   73 - HA    SER   13  16.48 +/- 1.44   3.620% * 12.4613% (0.57   0.02   0.02) =   4.238%  kept
          HN    VAL   42 - HA    SER   13  17.05 +/- 1.88   3.150% * 12.4613% (0.57   0.02   0.02) =   3.688%  kept
          HN    ILE   19 - HA    SER   37  16.65 +/- 0.92   3.346% * 11.6574% (0.53   0.02   0.02) =   3.664%  kept
          HN    LEU   73 - HA    SER   37  16.13 +/- 0.67   4.066% *  6.6588% (0.30   0.02   0.02) =   2.543%  kept
    Distance limit 3.31 A violated in 20 structures by 6.03 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 = 26.9:
      O   HN    SER   37 - HB3   SER   37   2.58 +/- 0.32  99.988% * 99.5355% (0.83  10.0   3.42  26.90) = 100.000%  kept
          HN    SER   37 - QB    SER   13  14.50 +/- 2.98   0.008% *  0.0762% (0.63   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  16.80 +/- 0.61   0.002% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  16.28 +/- 1.08   0.002% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  22.54 +/- 1.69   0.000% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  23.12 +/- 1.46   0.000% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  24.62 +/- 0.68   0.000% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  28.08 +/- 1.30   0.000% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.675, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  20.57 +/- 1.72  56.620% * 22.8936% (0.69   0.02   0.02) =  67.730%  kept
          HA    TRP   87 - HB3   GLU-  14  27.92 +/- 1.57   9.070% * 33.2545% (1.00   0.02   0.02) =  15.759%  kept
          HA    LEU  104 - HB3   GLU-  14  25.55 +/- 1.80  15.690% * 12.5086% (0.38   0.02   0.02) =  10.255%  kept
          HA    PHE   59 - HG3   MET   11  29.92 +/- 1.63   6.368% *  8.1279% (0.24   0.02   0.02) =   2.704%  kept
          HA    ASP- 113 - HB3   GLU-  14  30.45 +/- 1.55   5.394% *  5.1424% (0.15   0.02   0.02) =   1.449%  kept
          HA    TRP   87 - HG3   MET   11  36.75 +/- 2.40   1.786% * 11.8063% (0.35   0.02   0.02) =   1.102%  kept
          HA    LEU  104 - HG3   MET   11  33.04 +/- 2.79   3.782% *  4.4409% (0.13   0.02   0.02) =   0.878%  kept
          HA    ASP- 113 - HG3   MET   11  39.32 +/- 2.29   1.291% *  1.8257% (0.05   0.02   0.02) =   0.123%
    Distance limit 3.51 A violated in 20 structures by 15.17 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 = 47.7:
      O   HN    GLU-  14 - HB3   GLU-  14   3.26 +/- 0.30  99.798% * 99.5831% (0.92  10.0   3.88  47.73) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.75 +/- 0.82   0.178% *  0.0354% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  15.10 +/- 1.52   0.016% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  18.85 +/- 2.36   0.004% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  21.93 +/- 1.80   0.001% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  22.45 +/- 3.12   0.002% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  26.92 +/- 2.61   0.000% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  28.95 +/- 3.00   0.000% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  27.50 +/- 1.53   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  36.27 +/- 2.62   0.000% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 3.84, residual support = 47.7:
      O   HN    GLU-  14 - HB2   GLU-  14   3.15 +/- 0.54  99.786% * 99.3938% (0.49  10.0   3.84  47.73) = 100.000%  kept
          HN    GLU-  14 - HG2   MET   11   9.77 +/- 1.00   0.195% *  0.0372% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   GLU-  14  16.56 +/- 1.89   0.010% *  0.0839% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  19.25 +/- 2.06   0.003% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  22.15 +/- 1.94   0.001% *  0.1483% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  21.91 +/- 3.16   0.001% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  21.66 +/- 2.47   0.002% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  26.65 +/- 2.80   0.000% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.86 +/- 3.08   0.000% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.43 +/- 1.55   0.000% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  28.09 +/- 2.20   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  30.83 +/- 2.00   0.000% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.07, residual support = 6.05:
      O   HN    GLY   16 - HA    GLU-  15   2.68 +/- 0.12  99.983% * 99.5949% (0.97  10.0   2.07   6.05) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  12.55 +/- 1.40   0.012% *  0.0805% (0.78   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  18.63 +/- 1.39   0.001% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  16.13 +/- 1.96   0.003% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  23.78 +/- 1.07   0.000% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  22.65 +/- 0.71   0.000% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  24.75 +/- 0.90   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  23.11 +/- 0.77   0.000% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  25.77 +/- 1.26   0.000% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.7, residual support = 93.2:
      O   HN    ASN   28 - HA    ASN   28   2.79 +/- 0.03  99.999% * 99.8927% (0.84  10.0   5.70  93.25) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.24 +/- 0.62   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 = 2.56, residual support = 17.5:
        T HB2   LEU   31 - HA    ASN   28   3.38 +/- 0.25  98.753% * 93.5437% (0.38 10.00   2.56  17.46) =  99.997%  kept
        T QB    ALA   84 - HA    ASN   28  11.89 +/- 0.43   0.059% *  2.4869% (1.00 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    ASN   28  10.30 +/- 1.74   0.201% *  0.2405% (0.97  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    ASN   28   8.88 +/- 0.54   0.319% *  0.0935% (0.38  1.00   0.02   0.32) =   0.000%
          HB3   LEU   80 - HA    ASN   28   9.79 +/- 0.63   0.206% *  0.1311% (0.53  1.00   0.02   0.86) =   0.000%
          HG3   LYS+  33 - HA    ASN   28   9.42 +/- 1.48   0.345% *  0.0621% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ASN   28  11.82 +/- 0.76   0.068% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  14.55 +/- 0.61   0.018% *  0.1905% (0.76  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  23.86 +/- 2.91   0.001% *  2.2353% (0.90 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  15.84 +/- 1.84   0.014% *  0.1025% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  16.69 +/- 0.75   0.008% *  0.1512% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  20.52 +/- 0.76   0.002% *  0.2492% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  19.33 +/- 1.14   0.003% *  0.1612% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  22.28 +/- 1.43   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  28.37 +/- 1.01   0.000% *  0.1213% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  26.71 +/- 1.73   0.000% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 3.63, residual support = 17.5:
          HG    LEU   31 - HA    ASN   28   3.01 +/- 1.07  98.399% * 97.6492% (0.61   3.63  17.46) =  99.989%  kept
          QD2   LEU   73 - HA    ASN   28   7.48 +/- 0.52   1.591% *  0.6785% (0.76   0.02   0.32) =   0.011%
          QD1   ILE   56 - HA    ASN   28  19.37 +/- 1.53   0.005% *  0.8568% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  21.81 +/- 1.28   0.003% *  0.6785% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  22.87 +/- 2.08   0.003% *  0.1370% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.24 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   2.87 +/- 0.13  99.999% * 99.8461% (0.97  10.0   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  21.52 +/- 1.20   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  27.25 +/- 0.68   0.000% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA2   GLY   16   3.47 +/- 0.02  99.023% * 99.5709% (0.65  10.0   3.26  16.50) =  99.999%  kept
          HD21  ASN   69 - HA2   GLY   16   9.34 +/- 2.37   0.916% *  0.0690% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HA2   GLY   16  12.31 +/- 0.89   0.055% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  24.16 +/- 1.30   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  18.93 +/- 1.05   0.004% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  25.94 +/- 0.83   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  26.97 +/- 1.04   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   3.22 +/- 0.03  98.997% * 99.5709% (0.65  10.0   3.26  16.50) =  99.999%  kept
          HD21  ASN   69 - HA1   GLY   16   8.44 +/- 2.08   0.947% *  0.0690% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HA1   GLY   16  11.62 +/- 0.88   0.051% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  22.77 +/- 1.54   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  18.09 +/- 1.29   0.003% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  24.67 +/- 1.13   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  25.84 +/- 0.94   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.33 +/- 0.14  99.999% * 99.6694% (0.57  10.0   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  20.40 +/- 1.29   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  21.41 +/- 2.70   0.000% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  26.28 +/- 1.03   0.000% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  24.44 +/- 0.97   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.584, support = 4.31, residual support = 84.4:
      O T HB3   GLN   17 - QG    GLN   17   2.36 +/- 0.10  98.847% * 99.0943% (0.58  10.0 10.00   4.31  84.37) =  99.999%  kept
          QB    LYS+  65 - QG    GLN   17   6.06 +/- 0.90   0.582% *  0.1251% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB    VAL   70   6.58 +/- 0.30   0.233% *  0.0260% (0.15   1.0  1.00   0.02  32.79) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  11.28 +/- 1.54   0.013% *  0.2030% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    GLN   17  10.64 +/- 1.47   0.021% *  0.1271% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB    VAL   70   7.33 +/- 1.16   0.174% *  0.0109% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17   9.23 +/- 0.49   0.030% *  0.0533% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   9.53 +/- 1.24   0.031% *  0.0256% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  13.53 +/- 2.25   0.014% *  0.0238% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   9.49 +/- 0.49   0.025% *  0.0066% (0.04   1.0  1.00   0.02   2.75) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  10.30 +/- 1.39   0.023% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  15.57 +/- 1.23   0.001% *  0.0323% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  20.19 +/- 2.16   0.000% *  0.1163% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  19.33 +/- 1.46   0.000% *  0.0891% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  13.81 +/- 1.26   0.003% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  18.83 +/- 1.35   0.000% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  20.07 +/- 1.54   0.000% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  19.71 +/- 1.54   0.000% *  0.0182% (0.11   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 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.487, support = 5.48, residual support = 83.4:
          HN    GLN   17 - QG    GLN   17   3.05 +/- 0.51  85.436% * 88.7294% (0.49   5.50  84.37) =  98.265%  kept
          HD21  ASN   69 - HB    VAL   70   5.01 +/- 1.17  13.968% *  9.5761% (0.07   4.18  27.63) =   1.734%  kept
          HN    ALA   61 - QG    GLN   17   9.13 +/- 1.08   0.313% *  0.2426% (0.37   0.02   0.02) =   0.001%
          HN    GLN   17 - HB    VAL   70   8.89 +/- 1.37   0.200% *  0.0660% (0.10   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  11.63 +/- 1.48   0.043% *  0.2235% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  12.42 +/- 1.14   0.025% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  15.71 +/- 1.40   0.005% *  0.0769% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  21.38 +/- 1.01   0.001% *  0.3991% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  17.87 +/- 0.75   0.003% *  0.0818% (0.13   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  22.23 +/- 0.78   0.001% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  22.41 +/- 1.16   0.001% *  0.2049% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  20.90 +/- 0.62   0.001% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  17.29 +/- 0.82   0.003% *  0.0158% (0.02   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  23.04 +/- 1.06   0.001% *  0.0420% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.69 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   3.61 +/- 0.29  99.390% * 99.7451% (0.76   5.81  50.08) = 100.000%  kept
          HN    SER   13 - QG    GLN   17   9.81 +/- 1.08   0.352% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    VAL   18 - HB    VAL   70  10.64 +/- 1.42   0.223% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  17.27 +/- 1.58   0.010% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  16.62 +/- 1.73   0.015% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  17.66 +/- 0.77   0.009% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 84.4:
      O   HN    GLN   17 - HB3   GLN   17   2.89 +/- 0.27  99.909% * 99.5709% (0.65  10.0   5.17  84.37) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  10.69 +/- 0.80   0.056% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  12.74 +/- 1.82   0.030% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.48 +/- 0.77   0.003% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  23.30 +/- 0.59   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  24.22 +/- 0.62   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  24.76 +/- 1.10   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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   3.67 +/- 0.14  99.800% * 99.8372% (1.00   5.47  50.08) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17  10.76 +/- 0.81   0.193% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  18.20 +/- 1.01   0.007% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 84.4:
      O T HB3   GLN   17 - HA    GLN   17   2.89 +/- 0.25  97.421% * 99.4149% (0.76  10.0 10.00   4.00  84.37) =  99.997%  kept
          QB    LYS+  65 - HA    GLN   17   5.72 +/- 0.86   2.361% *  0.1255% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    GLN   17   8.55 +/- 0.62   0.152% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    GLN   17  10.34 +/- 1.13   0.056% *  0.1275% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  20.79 +/- 2.31   0.001% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  15.54 +/- 1.08   0.005% *  0.0324% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  19.70 +/- 1.40   0.001% *  0.0894% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  19.01 +/- 1.47   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.35 +/- 1.51   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.0, residual support = 84.4:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.580% * 94.0226% (0.18  10.0 10.00   4.00  84.37) =  99.998%  kept
        T HB3   GLN   17 - QB    GLU-  15   5.97 +/- 0.59   0.106% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - HB3   PRO   68  10.18 +/- 3.45   0.015% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   PRO   68   6.64 +/- 1.34   0.181% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   PRO   68   7.12 +/- 1.42   0.043% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   7.29 +/- 1.22   0.044% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   8.14 +/- 1.49   0.017% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15   9.31 +/- 1.06   0.006% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  11.87 +/- 1.04   0.001% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  11.47 +/- 0.99   0.001% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  10.50 +/- 1.13   0.003% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  10.62 +/- 0.89   0.002% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  19.44 +/- 2.37   0.000% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  17.91 +/- 2.62   0.000% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  13.43 +/- 1.50   0.001% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  16.48 +/- 0.61   0.000% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  16.67 +/- 1.34   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  16.77 +/- 1.02   0.000% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  16.09 +/- 1.65   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  22.25 +/- 2.10   0.000% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  23.60 +/- 1.48   0.000% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  20.49 +/- 1.45   0.000% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.69 +/- 1.66   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  22.50 +/- 1.22   0.000% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  18.72 +/- 1.54   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  20.84 +/- 1.28   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  21.76 +/- 1.33   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 35.8:
      O   HA    PRO   68 - HB3   PRO   68   2.30 +/- 0.00  98.869% * 99.9155% (0.19  10.0   2.96  35.80) =  99.999%  kept
          HA    PRO   68 - QB    GLU-  15   6.57 +/- 1.92   1.080% *  0.0447% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   68 - HB2   GLN   17   9.82 +/- 2.72   0.051% *  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   2.33 +/- 0.11  99.752% * 97.9600% (0.24   5.47  50.08) =  99.999%  kept
          HN    VAL   18 - QB    GLU-  15   8.03 +/- 0.37   0.065% *  0.4018% (0.27   0.02   0.02) =   0.000%
          HN    VAL   18 - HB3   PRO   68  11.11 +/- 2.63   0.023% *  0.8982% (0.61   0.02   0.02) =   0.000%
          HN    SER   13 - QB    GLU-  15   7.11 +/- 0.59   0.148% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  14.30 +/- 3.07   0.004% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    SER   13 - HB2   GLN   17  12.17 +/- 0.85   0.006% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  15.24 +/- 1.48   0.001% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  18.30 +/- 0.80   0.000% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  22.85 +/- 1.37   0.000% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.1:
      O   HN    VAL   18 - HA    GLN   17   2.58 +/- 0.05  99.999% * 99.9233% (0.84  10.0   5.47  50.08) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  18.65 +/- 0.87   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  24.33 +/- 0.44   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 2.45:
        T QB    ALA   64 - HA    GLN   17   3.19 +/- 0.35  99.457% * 97.4199% (0.69 10.00   1.22   2.45) =  99.994%  kept
        T QG1   VAL   42 - HA    GLN   17   8.12 +/- 0.74   0.536% *  1.1283% (0.49 10.00   0.02   0.02) =   0.006%
        T QB    ALA   47 - HA    GLN   17  16.89 +/- 0.94   0.006% *  1.4060% (0.61 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    GLN   17  20.55 +/- 2.45   0.002% *  0.0459% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 77.1:
      O   HN    VAL   18 - HB    VAL   18   2.40 +/- 0.39  99.998% * 99.9233% (0.84  10.0   4.99  77.12) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  16.97 +/- 0.81   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  20.81 +/- 0.78   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 3.37:
        T HB2   PHE   72 - HA    VAL   18   2.85 +/- 0.58  97.858% * 98.2736% (0.49 10.00   0.75   3.37) =  99.988%  kept
          HA    ALA   64 - HA    VAL   18   5.84 +/- 0.57   2.139% *  0.5277% (0.98  1.00   0.02   8.67) =   0.012%
        T HB3   ASN   35 - HA    VAL   18  18.50 +/- 0.93   0.002% *  1.1986% (0.22 10.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.56, residual support = 21.2:
      O   HN    ILE   19 - HA    VAL   18   2.23 +/- 0.04  99.058% * 99.7159% (0.73  10.0   4.56  21.17) =  99.999%  kept
          HN    LEU   73 - HA    VAL   18   5.00 +/- 0.45   0.912% *  0.1268% (0.92   1.0   0.02   0.02) =   0.001%
          HN    VAL   42 - HA    VAL   18   8.73 +/- 0.58   0.030% *  0.1268% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  17.94 +/- 0.58   0.000% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 0.42, support = 0.0198, residual support = 1.48:
          HG    LEU   73 - QG1   VAL   18   6.18 +/- 0.96  20.764% *  8.7275% (0.61   0.02   0.02) =  47.206%  kept
          QB    ALA   61 - QG1   VAL   18   4.62 +/- 0.61  75.143% *  2.2202% (0.15   0.02   3.38) =  43.460%  kept
          HG    LEU   67 - QG1   VAL   18  10.24 +/- 1.28   1.026% * 14.3572% (1.00   0.02   0.02) =   3.839%  kept
          HG    LEU   40 - QG1   VAL   18  11.79 +/- 1.22   0.318% * 14.2618% (0.99   0.02   0.02) =   1.182%  kept
          HB3   LEU   67 - QG1   VAL   18   9.61 +/- 1.15   1.177% *  3.5880% (0.25   0.02   0.02) =   1.101%  kept
          QG    LYS+  66 - QG1   VAL   18  10.30 +/- 0.84   0.684% *  5.9156% (0.41   0.02   0.02) =   1.053%  kept
          HB3   LEU  115 - QG1   VAL   18  12.69 +/- 1.16   0.189% * 14.2618% (0.99   0.02   0.02) =   0.703%  kept
          HB3   LEU   40 - QG1   VAL   18  11.33 +/- 1.01   0.384% *  6.4511% (0.45   0.02   0.02) =   0.646%  kept
          HG    LEU  115 - QG1   VAL   18  12.80 +/- 1.38   0.189% *  9.8840% (0.69   0.02   0.02) =   0.486%
          QB    ALA  120 - QG1   VAL   18  13.67 +/- 0.86   0.106% *  9.8840% (0.69   0.02   0.02) =   0.272%
          HG2   LYS+ 102 - QG1   VAL   18  19.03 +/- 1.74   0.019% * 10.4487% (0.73   0.02   0.02) =   0.052%
    Distance limit 2.86 A violated in 18 structures by 1.45 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 = 9.4:
        T QB    ALA   34 - QG1   VAL   41   2.17 +/- 0.30  99.739% * 97.8928% (0.49 10.00   2.96   9.40) = 100.000%  kept
        T QB    ALA   34 - QG2   VAL   18  10.43 +/- 0.69   0.013% *  0.7481% (0.37 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.37 +/- 0.85   0.090% *  0.0352% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   VAL   18   8.49 +/- 1.27   0.066% *  0.0474% (0.24  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  14.50 +/- 1.65   0.002% *  0.6207% (0.31 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18  10.23 +/- 0.81   0.013% *  0.0932% (0.46  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  11.20 +/- 0.87   0.008% *  0.1284% (0.64  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  12.74 +/- 0.87   0.003% *  0.1680% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  13.14 +/- 0.43   0.003% *  0.1220% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.26 +/- 0.51   0.040% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  13.25 +/- 0.62   0.003% *  0.0501% (0.25  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  15.44 +/- 1.07   0.001% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  10.25 +/- 1.36   0.013% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  17.85 +/- 0.91   0.000% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  15.34 +/- 0.91   0.001% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  13.44 +/- 0.97   0.002% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.46 +/- 1.27   0.002% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  18.13 +/- 1.02   0.000% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 73.9:
      O T HB    VAL   41 - QG1   VAL   41   2.13 +/- 0.02  91.423% * 97.9411% (0.84  10.0 10.00   3.89  73.90) =  99.998%  kept
          HB2   LEU   71 - QG1   VAL   41   5.28 +/- 1.00   0.941% *  0.0805% (0.69   1.0  1.00   0.02   4.34) =   0.001%
          QB    LYS+ 102 - QD2   LEU  104   3.99 +/- 0.93   6.063% *  0.0053% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG2   VAL   18   5.98 +/- 0.97   0.329% *  0.0651% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG1   VAL   41   6.86 +/- 1.10   0.133% *  0.0979% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG1   VAL   41   6.71 +/- 1.48   0.153% *  0.0805% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   18   5.36 +/- 0.62   0.471% *  0.0177% (0.15   1.0  1.00   0.02  50.08) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   7.39 +/- 1.27   0.122% *  0.0526% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   7.76 +/- 0.66   0.045% *  0.0865% (0.74   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  11.78 +/- 0.92   0.004% *  0.7485% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   8.51 +/- 0.70   0.026% *  0.0616% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.99 +/- 0.90   0.265% *  0.0043% (0.04   1.0  1.00   0.02  36.49) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  12.49 +/- 0.78   0.002% *  0.1132% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  12.88 +/- 1.30   0.002% *  0.0878% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  14.19 +/- 0.59   0.001% *  0.0851% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  13.34 +/- 1.61   0.002% *  0.0368% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  15.13 +/- 1.24   0.001% *  0.0616% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.42 +/- 1.48   0.001% *  0.0748% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  17.57 +/- 0.62   0.000% *  0.1149% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  16.18 +/- 1.97   0.001% *  0.0482% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  15.01 +/- 1.16   0.001% *  0.0368% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  10.92 +/- 1.25   0.007% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.21 +/- 1.20   0.001% *  0.0232% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  12.48 +/- 1.54   0.003% *  0.0061% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  13.53 +/- 1.56   0.002% *  0.0026% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  21.67 +/- 0.83   0.000% *  0.0482% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  15.62 +/- 1.21   0.001% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.04 +/- 1.00   0.000% *  0.0062% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.71 +/- 1.30   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  21.73 +/- 0.91   0.000% *  0.0026% (0.02   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 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.623, support = 2.09, residual support = 10.4:
          HB3   LEU   40 - QG1   VAL   41   5.25 +/- 0.17   4.739% * 83.6034% (0.46   3.80  19.83) =  52.270%  kept
          HG2   LYS+  65 - QG2   VAL   18   5.20 +/- 1.77  35.876% *  8.5701% (0.76   0.24   0.02) =  40.563%  kept
          HB2   LYS+  74 - QG2   VAL   18   4.27 +/- 1.60  57.143% *  0.9399% (0.99   0.02   0.99) =   7.086%  kept
          QG2   THR   26 - QG2   VAL   18   8.81 +/- 0.41   0.206% *  0.7921% (0.84   0.02   0.02) =   0.022%
          QG2   THR   26 - QG1   VAL   41   9.17 +/- 0.80   0.253% *  0.6053% (0.64   0.02   0.02) =   0.020%
          HB3   LEU   40 - QD2   LEU  104   7.65 +/- 0.93   0.674% *  0.0884% (0.09   0.02   0.02) =   0.008%
          QD    LYS+  66 - QG2   VAL   18   9.19 +/- 0.90   0.197% *  0.2927% (0.31   0.02   0.02) =   0.008%
          HD2   LYS+ 121 - QD2   LEU  104   8.29 +/- 1.37   0.520% *  0.1001% (0.11   0.02   0.02) =   0.007%
          HB3   LEU   40 - QG2   VAL   18  10.69 +/- 0.75   0.071% *  0.5752% (0.61   0.02   0.02) =   0.005%
          HB2   LYS+  74 - QG1   VAL   41  12.69 +/- 0.92   0.028% *  0.7183% (0.76   0.02   0.02) =   0.003%
          HG    LEU  115 - QG2   VAL   18  11.78 +/- 1.23   0.047% *  0.3559% (0.38   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QG1   VAL   41  12.64 +/- 1.55   0.031% *  0.4978% (0.52   0.02   0.02) =   0.002%
          QB    ALA  120 - QG2   VAL   18  12.33 +/- 0.75   0.030% *  0.3559% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG2   VAL   18  14.02 +/- 1.20   0.015% *  0.6514% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QG1   VAL   41  15.42 +/- 0.96   0.008% *  0.5539% (0.58   0.02   0.02) =   0.001%
          QB    ALA  120 - QD2   LEU  104  10.53 +/- 1.07   0.083% *  0.0547% (0.06   0.02   0.02) =   0.001%
          QB    ALA  120 - QG1   VAL   41  13.76 +/- 1.27   0.016% *  0.2720% (0.29   0.02   0.02) =   0.001%
          QD    LYS+  66 - QG1   VAL   41  14.24 +/- 0.57   0.012% *  0.2237% (0.24   0.02   0.02) =   0.000%
          HG    LEU  115 - QG1   VAL   41  16.77 +/- 1.63   0.005% *  0.2720% (0.29   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  14.94 +/- 0.64   0.009% *  0.1217% (0.13   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.94 +/- 1.69   0.020% *  0.0450% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  17.13 +/- 1.04   0.004% *  0.1444% (0.15   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  15.23 +/- 1.34   0.009% *  0.0547% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.76 +/- 1.51   0.004% *  0.1114% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 0.986, residual support = 3.38:
        T HA    ALA   61 - QG2   VAL   18   2.76 +/- 0.31  99.751% * 97.7260% (0.87 10.00   0.99   3.38) = 100.000%  kept
          HD2   PRO   68 - QG2   VAL   18   9.71 +/- 0.95   0.066% *  0.2239% (0.98  1.00   0.02   0.02) =   0.000%
        T HA    ALA   61 - QG1   VAL   41  14.10 +/- 0.74   0.007% *  1.5142% (0.66 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG2   VAL   18   8.99 +/- 0.78   0.100% *  0.0452% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   41  12.00 +/- 1.21   0.020% *  0.1711% (0.75  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QG1   VAL   41  11.40 +/- 0.65   0.025% *  0.0850% (0.37  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QG2   VAL   18  13.20 +/- 0.77   0.011% *  0.1112% (0.49  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QD2   LEU  104  13.02 +/- 1.34   0.013% *  0.0344% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QD2   LEU  104  16.48 +/- 1.14   0.003% *  0.0304% (0.13  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   41  18.47 +/- 1.04   0.001% *  0.0345% (0.15  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD2   LEU  104  17.32 +/- 0.87   0.002% *  0.0171% (0.07  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QD2   LEU  104  18.82 +/- 1.06   0.001% *  0.0069% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.07, residual support = 73.9:
      O T HA    VAL   41 - QG1   VAL   41   2.61 +/- 0.23  99.503% * 98.8372% (0.65  10.0 10.00   4.07  73.90) =  99.999%  kept
        T HA    VAL   41 - QG2   VAL   18  10.21 +/- 0.87   0.038% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG2   VAL   18   8.41 +/- 1.19   0.141% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.67 +/- 0.83   0.087% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  11.81 +/- 2.12   0.038% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG1   VAL   41  12.61 +/- 0.32   0.009% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104   8.77 +/- 1.63   0.172% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  13.27 +/- 1.04   0.009% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.71 +/- 0.97   0.002% *  0.0082% (0.05   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 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 0.75, residual support = 3.06:
          QD    PHE   60 - QG1   VAL   18   4.33 +/- 0.89  96.830% * 95.5540% (1.00   0.75   3.06) =  99.958%  kept
          HN    LYS+  66 - QG1   VAL   18   8.95 +/- 0.84   1.570% *  1.7503% (0.69   0.02   0.02) =   0.030%
          QE    PHE   59 - QG1   VAL   18   9.66 +/- 1.93   1.470% *  0.5673% (0.22   0.02   0.02) =   0.009%
          HN    LYS+  81 - QG1   VAL   18  14.30 +/- 0.56   0.131% *  2.1284% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.02 A violated in 14 structures by 1.36 A, kept.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 77.1:
          HN    VAL   18 - QG1   VAL   18   3.48 +/- 0.21  99.968% * 99.8233% (0.92   5.49  77.12) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  13.88 +/- 1.00   0.032% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.308, support = 0.986, residual support = 0.986:
          HN    LYS+  74 - QG1   VAL   18   3.60 +/- 0.47  98.870% * 88.9042% (0.31   0.99   0.99) =  99.946%  kept
          HN    THR   46 - QG1   VAL   18   8.02 +/- 0.73   1.088% *  4.2384% (0.73   0.02   0.02) =   0.052%
          HN    MET   92 - QG1   VAL   18  14.51 +/- 0.92   0.030% *  5.2346% (0.90   0.02   0.02) =   0.002%
          HN    ASP- 113 - QG1   VAL   18  17.31 +/- 1.10   0.012% *  1.6228% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 2 structures by 0.25 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.56, residual support = 21.2:
          HN    ILE   19 - QG1   VAL   18   2.65 +/- 0.33  92.570% * 99.7925% (0.84   4.56  21.17) =  99.992%  kept
          HN    LEU   73 - QG1   VAL   18   4.47 +/- 1.06   7.326% *  0.1037% (0.20   0.02   0.02) =   0.008%
          HN    VAL   42 - QG1   VAL   18   8.45 +/- 1.00   0.104% *  0.1037% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.8, support = 2.33, residual support = 3.06:
          QD    PHE   60 - QG2   VAL   18   3.84 +/- 0.63  91.173% * 94.9198% (0.80   2.33   3.06) =  99.925%  kept
          HN    LYS+  66 - QG2   VAL   18   6.88 +/- 0.76   5.119% *  0.9984% (0.98   0.02   0.02) =   0.059%
          QE    PHE   59 - QG2   VAL   18   8.66 +/- 1.45   1.258% *  0.5767% (0.57   0.02   0.02) =   0.008%
          HN    PHE   59 - QG2   VAL   18   7.99 +/- 0.63   1.598% *  0.2268% (0.22   0.02   0.02) =   0.004%
          QD    PHE   60 - QG1   VAL   41  11.25 +/- 1.19   0.263% *  0.6233% (0.61   0.02   0.02) =   0.002%
          QE    PHE   59 - QG1   VAL   41  12.88 +/- 1.84   0.117% *  0.4407% (0.43   0.02   0.02) =   0.001%
          HN    LYS+  66 - QG1   VAL   41  13.75 +/- 0.60   0.060% *  0.7630% (0.75   0.02   0.02) =   0.001%
          QD    PHE   60 - QD2   LEU  104  13.07 +/- 1.61   0.125% *  0.1253% (0.12   0.02   0.02) =   0.000%
          QE    PHE   59 - QD2   LEU  104  11.89 +/- 1.47   0.166% *  0.0886% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG2   VAL   18  15.92 +/- 0.94   0.024% *  0.4567% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD2   LEU  104  14.81 +/- 1.49   0.042% *  0.1534% (0.15   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG1   VAL   41  16.88 +/- 0.63   0.018% *  0.3490% (0.34   0.02   0.02) =   0.000%
          HN    PHE   59 - QG1   VAL   41  16.97 +/- 0.88   0.017% *  0.1733% (0.17   0.02   0.02) =   0.000%
          HN    PHE   59 - QD2   LEU  104  17.23 +/- 0.96   0.016% *  0.0348% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU  104  21.26 +/- 0.99   0.004% *  0.0702% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 9 structures by 0.78 A, kept.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.28, residual support = 77.1:
          HN    VAL   18 - QG2   VAL   18   2.52 +/- 0.65  99.554% * 98.1481% (0.61   5.28  77.12) =  99.999%  kept
          HN    GLN   30 - QG1   VAL   41   7.74 +/- 0.80   0.307% *  0.1169% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG1   VAL   41   9.50 +/- 0.65   0.078% *  0.3404% (0.55   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  14.26 +/- 0.69   0.008% *  0.4454% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  12.43 +/- 0.68   0.019% *  0.1529% (0.25   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  13.40 +/- 0.96   0.008% *  0.2843% (0.46   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  13.80 +/- 0.68   0.009% *  0.1447% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  17.00 +/- 1.09   0.003% *  0.1893% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  16.68 +/- 0.84   0.003% *  0.0684% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  15.09 +/- 0.90   0.006% *  0.0235% (0.04   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  17.47 +/- 1.28   0.002% *  0.0572% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  16.60 +/- 1.25   0.003% *  0.0291% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.48, residual support = 73.9:
          HN    VAL   41 - QG1   VAL   41   2.10 +/- 0.34  99.575% * 98.4719% (0.14   4.48  73.90) = 100.000%  kept
          HN    VAL   41 - QD2   LEU  104   6.44 +/- 0.78   0.336% *  0.0236% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  11.31 +/- 0.89   0.005% *  0.6428% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.55 +/- 0.28   0.078% *  0.0345% (0.01   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  11.85 +/- 0.79   0.005% *  0.3359% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  14.59 +/- 0.78   0.001% *  0.4912% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.34, residual support = 87.5:
          HN    VAL   83 - QG1   VAL   83   2.59 +/- 0.42  99.806% * 98.5349% (0.36   5.34  87.47) = 100.000%  kept
          HE22  GLN   30 - QG1   VAL   83   8.74 +/- 1.31   0.184% *  0.1777% (0.17   0.02   0.02) =   0.000%
          HN    CYS   50 - QG1   VAL   83  14.66 +/- 0.81   0.005% *  0.7790% (0.75   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  14.23 +/- 0.83   0.005% *  0.5084% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 0.518, residual support = 0.776:
        T QG2   VAL   24 - QG1   VAL   83   2.49 +/- 0.63  66.915% * 66.6223% (0.46 10.00   0.37   0.78) =  84.610%  kept
          QG1   VAL   24 - QG1   VAL   83   3.18 +/- 0.93  33.073% * 24.5158% (0.46  1.00   1.35   0.78) =  15.389%  kept
        T QG1   VAL  107 - QG1   VAL   83  13.12 +/- 0.83   0.009% *  5.9875% (0.75 10.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QG1   VAL   83  16.66 +/- 2.00   0.002% *  2.5906% (0.33 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG1   VAL   83  21.31 +/- 1.74   0.001% *  0.2838% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 1 structures by 0.06 A, kept.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.542, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  16.97 +/- 0.59  10.204% * 27.9530% (0.14 10.00   0.02   0.02) =  28.125%  kept
          HB2   PRO   58 - HA    ILE   19  16.21 +/- 1.12  14.326% * 19.0666% (0.92  1.00   0.02   0.02) =  26.935%  kept
          HB3   PHE   97 - HA    ILE   19  17.11 +/- 1.24  10.162% * 19.0666% (0.92  1.00   0.02   0.02) =  19.107%  kept
          QG    GLU-  79 - HA    ILE   19  12.52 +/- 0.99  60.797% *  3.1869% (0.15  1.00   0.02   0.02) =  19.106%  kept
          HB2   GLU- 100 - HA    ILE   19  21.30 +/- 1.24   2.712% * 14.1878% (0.69  1.00   0.02   0.02) =   3.794%  kept
          HB2   GLN  116 - HA    ILE   19  22.74 +/- 1.33   1.799% * 16.5389% (0.80  1.00   0.02   0.02) =   2.933%  kept
    Distance limit 3.71 A violated in 20 structures by 7.76 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 = 20.1:
      O   HN    ALA   20 - HA    ILE   19   2.28 +/- 0.05  99.997% * 99.9363% (0.73  10.0   5.10  20.07) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  13.03 +/- 0.52   0.003% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  22.32 +/- 2.18   0.000% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.58 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 = 5.67, residual support = 123.9:
      O   HN    ILE   19 - HA    ILE   19   2.91 +/- 0.03  99.484% * 99.8764% (0.98  10.0   5.67 123.86) = 100.000%  kept
          HN    LEU   73 - HA    ILE   19   7.12 +/- 0.29   0.477% *  0.0618% (0.61   1.0   0.02   4.10) =   0.000%
          HN    VAL   42 - HA    ILE   19  10.89 +/- 0.71   0.039% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.0, residual support = 4.1:
          HA    LEU   73 - HB    ILE   19   3.23 +/- 0.83 100.000% *100.0000% (0.95   2.00   4.10) = 100.000%  kept
    Distance limit 3.76 A violated in 1 structures by 0.17 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.88, residual support = 123.9:
      O   HN    ILE   19 - HB    ILE   19   2.37 +/- 0.29  98.924% * 99.6598% (0.65  10.0   4.88 123.86) =  99.998%  kept
          HN    LEU   73 - HB    ILE   19   5.39 +/- 0.88   1.011% *  0.1487% (0.97   1.0   0.02   4.10) =   0.002%
          HN    VAL   42 - HB    ILE   19   8.47 +/- 1.14   0.065% *  0.1487% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  19.55 +/- 1.19   0.000% *  0.0428% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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 = 0.345, support = 0.0198, residual support = 0.603:
          QD1   LEU   40 - HG    LEU   71   6.91 +/- 1.18  72.866% *  3.3680% (0.06   0.02   1.66) =  35.639%  kept
          QD2   LEU   67 - HG13  ILE   19  11.61 +/- 2.53   6.183% * 39.2581% (0.69   0.02   0.02) =  35.252%  kept
          QD1   LEU   40 - HG13  ILE   19  11.15 +/- 1.14   4.710% * 23.4959% (0.41   0.02   0.02) =  16.071%  kept
          QD2   LEU   67 - HG    LEU   71   9.86 +/- 1.63  11.359% *  5.6275% (0.10   0.02   0.02) =   9.283%  kept
          QG2   ILE  119 - HG13  ILE   19  14.54 +/- 1.65   1.029% * 15.8904% (0.28   0.02   0.02) =   2.376%  kept
          QG2   ILE  119 - HG    LEU   71  13.40 +/- 2.53   1.706% *  2.2778% (0.04   0.02   0.02) =   0.564%  kept
          QD1   ILE  103 - HG13  ILE   19  17.15 +/- 1.24   0.383% *  8.8183% (0.15   0.02   0.02) =   0.491%
          QD1   ILE  103 - HG    LEU   71  13.32 +/- 1.34   1.763% *  1.2641% (0.02   0.02   0.02) =   0.324%
    Distance limit 2.96 A violated in 19 structures by 3.55 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.644, support = 4.86, residual support = 123.1:
          HN    ILE   19 - HG13  ILE   19   3.62 +/- 0.51  85.317% * 92.0579% (0.65   4.88 123.86) =  99.339%  kept
          HN    VAL   42 - HG    LEU   71   5.62 +/- 0.69   7.851% *  6.4958% (0.14   1.61   5.43) =   0.645%  kept
          HN    LEU   73 - HG13  ILE   19   7.29 +/- 0.80   1.457% *  0.5630% (0.97   0.02   4.10) =   0.010%
          HN    LEU   73 - HG    LEU   71   7.12 +/- 0.70   2.559% *  0.0807% (0.14   0.02   0.02) =   0.003%
          HN    ILE   19 - HG    LEU   71   7.67 +/- 1.21   2.569% *  0.0541% (0.09   0.02   0.02) =   0.002%
          HN    VAL   42 - HG13  ILE   19  10.10 +/- 1.46   0.238% *  0.5630% (0.97   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG13  ILE   19  21.28 +/- 1.15   0.002% *  0.1622% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  17.67 +/- 1.66   0.007% *  0.0233% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.13 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 = 0.257, support = 0.02, residual support = 1.74:
          HE22  GLN   30 - QD1   ILE   19   5.91 +/- 1.08  98.998% * 12.2345% (0.25   0.02   1.77) =  97.898%  kept
          HN    CYS   50 - QD1   ILE   19  17.60 +/- 1.19   0.261% * 39.2884% (0.80   0.02   0.02) =   0.828%  kept
          HN    VAL   83 - QD1   ILE   19  15.00 +/- 1.00   0.517% * 16.7366% (0.34   0.02   0.02) =   0.700%  kept
          HN    TRP   49 - QD1   ILE   19  17.98 +/- 0.96   0.224% * 31.7406% (0.65   0.02   0.02) =   0.575%  kept
    Distance limit 4.07 A violated in 17 structures by 1.86 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  18.63 +/- 1.09 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 3.88 A violated in 20 structures by 14.76 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.57, residual support = 20.1:
          HA    ILE   19 - QB    ALA   20   3.87 +/- 0.03  99.809% * 98.6260% (0.92   3.57  20.07) =  99.999%  kept
          HA    GLU-  25 - QB    ALA   20  12.07 +/- 0.40   0.111% *  0.5991% (1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    ALA   20  13.91 +/- 1.21   0.057% *  0.4115% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  15.72 +/- 0.49   0.023% *  0.3634% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.851, support = 0.0199, residual support = 6.75:
          QE    LYS+  74 - QB    ALA   20   6.34 +/- 0.64  75.020% * 25.4326% (0.90   0.02   8.19) =  82.382%  kept
          HB2   PHE   72 - QB    ALA   20   8.30 +/- 0.52  17.286% * 16.0552% (0.57   0.02   0.02) =  11.983%  kept
          QB    CYS   50 - QB    ALA   20  11.02 +/- 1.87   4.095% * 26.1780% (0.92   0.02   0.02) =   4.628%  kept
          HB3   ASP-  78 - QB    ALA   20  10.80 +/- 0.68   3.358% *  4.9664% (0.18   0.02   0.02) =   0.720%  kept
          HB3   ASN   69 - QB    ALA   20  16.84 +/- 0.77   0.242% * 27.3678% (0.97   0.02   0.02) =   0.286%
    Distance limit 3.55 A violated in 20 structures by 2.48 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.918, support = 2.11, residual support = 5.18:
          HD2   HIS   22 - QB    ALA   20   3.53 +/- 0.53  96.469% * 71.5295% (0.92   2.11   5.25) =  98.820%  kept
          HN    THR   23 - QB    ALA   20   6.46 +/- 0.31   3.137% * 26.2312% (0.53   1.36   0.02) =   1.178%  kept
          QE    PHE   95 - QB    ALA   20  11.29 +/- 0.97   0.118% *  0.3568% (0.49   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   20  13.65 +/- 0.61   0.038% *  0.6574% (0.90   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  15.73 +/- 2.31   0.205% *  0.1131% (0.15   0.02   0.02) =   0.000%
          HD1   TRP   49 - QB    ALA   20  14.39 +/- 1.57   0.027% *  0.7265% (0.99   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   20  18.37 +/- 0.74   0.006% *  0.3856% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.76, residual support = 14.6:
          HN    CYS   21 - QB    ALA   20   3.54 +/- 0.02  99.937% * 99.1002% (0.95   3.76  14.63) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  13.42 +/- 0.60   0.035% *  0.3376% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  15.90 +/- 0.65   0.013% *  0.1718% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  18.10 +/- 0.80   0.006% *  0.2929% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  16.72 +/- 0.72   0.009% *  0.0975% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 3.61, residual support = 14.9:
      O   HN    ALA   20 - QB    ALA   20   2.18 +/- 0.11  99.992% * 99.6086% (0.31  10.0   3.61  14.87) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.73 +/- 0.57   0.008% *  0.2343% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  18.46 +/- 1.96   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 = 0.476, support = 0.02, residual support = 0.02:
          QB    LYS+  33 - HB2   CYS   21   9.73 +/- 0.81  55.411% *  4.7734% (0.34   0.02   0.02) =  45.813%  kept
          HB    VAL   41 - HB2   CYS   21  11.79 +/- 1.32  20.229% *  9.0526% (0.65   0.02   0.02) =  31.718%  kept
          HG12  ILE  103 - HB2   CYS   21  16.52 +/- 1.72   2.541% * 11.2053% (0.80   0.02   0.02) =   4.932%  kept
          QB    LYS+  81 - HB2   CYS   21  13.53 +/- 0.73   7.585% *  3.1155% (0.22   0.02   0.02) =   4.093%  kept
          QB    LYS+  66 - HB2   CYS   21  16.62 +/- 0.81   2.304% *  6.2738% (0.45   0.02   0.02) =   2.504%  kept
          QB    LYS+ 106 - HB2   CYS   21  15.19 +/- 0.96   3.953% *  2.7693% (0.20   0.02   0.02) =   1.896%  kept
          HG2   ARG+  54 - HB2   CYS   21  19.67 +/- 2.52   1.182% *  6.8115% (0.49   0.02   0.02) =   1.395%  kept
          HB    ILE  103 - HB2   CYS   21  18.74 +/- 1.02   1.070% *  7.3624% (0.53   0.02   0.02) =   1.364%  kept
          HB3   ASP- 105 - HB2   CYS   21  18.68 +/- 1.22   1.198% *  6.2738% (0.45   0.02   0.02) =   1.302%  kept
          HB3   PRO   52 - HB2   CYS   21  21.40 +/- 1.21   0.527% * 13.7167% (0.98   0.02   0.02) =   1.253%  kept
          HG3   PRO   68 - HB2   CYS   21  19.42 +/- 1.13   0.901% *  7.9226% (0.57   0.02   0.02) =   1.236%  kept
          HB3   GLN   90 - HB2   CYS   21  17.78 +/- 1.94   1.728% *  3.8908% (0.28   0.02   0.02) =   1.165%  kept
          HG    LEU  123 - HB2   CYS   21  23.42 +/- 2.05   0.321% * 13.7167% (0.98   0.02   0.02) =   0.762%  kept
          HG2   PRO   93 - HB2   CYS   21  18.91 +/- 1.21   1.050% *  3.1155% (0.22   0.02   0.02) =   0.567%  kept
    Distance limit 3.64 A violated in 20 structures by 5.05 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 1.5, residual support = 7.0:
          QD1   LEU   73 - HB2   CYS   21   3.46 +/- 0.89  80.905% * 94.3053% (0.80   1.50   7.01) =  99.859%  kept
          QD2   LEU   80 - HB2   CYS   21   5.79 +/- 1.20  13.182% *  0.6456% (0.41   0.02   0.02) =   0.111%
          QD1   LEU   80 - HB2   CYS   21   6.20 +/- 0.88   5.092% *  0.3496% (0.22   0.02   0.02) =   0.023%
          QG2   VAL   41 - HB2   CYS   21   8.62 +/- 0.74   0.535% *  0.5894% (0.38   0.02   0.02) =   0.004%
          QD2   LEU   98 - HB2   CYS   21  10.51 +/- 1.06   0.185% *  0.3496% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   CYS   21  12.56 +/- 1.97   0.045% *  1.2574% (0.80   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   CYS   21  13.44 +/- 1.78   0.030% *  1.4496% (0.92   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   CYS   21  15.99 +/- 1.53   0.014% *  0.7040% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   CYS   21  16.05 +/- 1.22   0.011% *  0.3496% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 3 structures by 0.30 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.75, residual support = 28.9:
      O T HA    CYS   21 - HB2   CYS   21   2.81 +/- 0.31  99.995% * 99.6850% (0.92  10.0 10.00   2.75  28.93) = 100.000%  kept
          HA    CYS   50 - HB2   CYS   21  17.49 +/- 1.60   0.002% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   CYS   21  19.04 +/- 1.10   0.001% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  19.19 +/- 0.83   0.001% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  22.49 +/- 1.03   0.000% *  0.0655% (0.61   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 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.781, support = 3.04, residual support = 5.7:
          HD2   HIS   22 - HB2   CYS   21   4.94 +/- 0.54  37.764% * 73.6367% (0.92   3.56   6.68) =  64.210%  kept
          HN    THR   23 - HB2   CYS   21   4.47 +/- 0.22  62.014% * 24.9934% (0.53   2.12   3.94) =  35.789%  kept
          QE    PHE   95 - HB2   CYS   21  12.59 +/- 1.24   0.138% *  0.2183% (0.49   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   CYS   21  16.07 +/- 0.69   0.028% *  0.4021% (0.90   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   CYS   21  18.21 +/- 1.66   0.015% *  0.4444% (0.99   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   CYS   21  16.26 +/- 0.87   0.028% *  0.2359% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  19.86 +/- 2.09   0.013% *  0.0692% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.41, residual support = 28.9:
      O   HN    CYS   21 - HB2   CYS   21   2.78 +/- 0.34  99.945% * 99.8294% (0.95  10.0   3.41  28.93) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  10.91 +/- 0.64   0.046% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  15.32 +/- 1.06   0.004% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  15.53 +/- 0.59   0.005% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  20.26 +/- 1.00   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.315, support = 0.0199, residual support = 0.0199:
          QB    LYS+  33 - HB3   CYS   21   9.67 +/- 0.50  57.620% *  4.7734% (0.23   0.02   0.02) =  49.343%  kept
          HB    VAL   41 - HB3   CYS   21  12.16 +/- 1.38  17.516% *  9.0526% (0.44   0.02   0.02) =  28.448%  kept
          QB    LYS+  81 - HB3   CYS   21  12.98 +/- 0.87  10.559% *  3.1155% (0.15   0.02   0.02) =   5.902%  kept
          HG12  ILE  103 - HB3   CYS   21  16.77 +/- 1.68   2.395% * 11.2053% (0.55   0.02   0.02) =   4.814%  kept
          QB    LYS+  66 - HB3   CYS   21  17.71 +/- 0.88   1.630% *  6.2738% (0.31   0.02   0.02) =   1.834%  kept
          QB    LYS+ 106 - HB3   CYS   21  15.67 +/- 0.80   3.303% *  2.7693% (0.14   0.02   0.02) =   1.641%  kept
          HB    ILE  103 - HB3   CYS   21  18.99 +/- 1.12   1.042% *  7.3624% (0.36   0.02   0.02) =   1.377%  kept
          HB3   GLN   90 - HB3   CYS   21  17.79 +/- 1.98   1.785% *  3.8908% (0.19   0.02   0.02) =   1.246%  kept
          HG2   ARG+  54 - HB3   CYS   21  20.54 +/- 2.66   0.957% *  6.8115% (0.33   0.02   0.02) =   1.170%  kept
          HB3   PRO   52 - HB3   CYS   21  22.06 +/- 1.22   0.457% * 13.7167% (0.67   0.02   0.02) =   1.124%  kept
          HB3   ASP- 105 - HB3   CYS   21  19.47 +/- 0.98   0.915% *  6.2738% (0.31   0.02   0.02) =   1.030%  kept
          HG3   PRO   68 - HB3   CYS   21  20.50 +/- 1.31   0.687% *  7.9226% (0.39   0.02   0.02) =   0.977%  kept
          HG    LEU  123 - HB3   CYS   21  24.60 +/- 1.89   0.243% * 13.7167% (0.67   0.02   0.02) =   0.598%  kept
          HG2   PRO   93 - HB3   CYS   21  19.70 +/- 1.29   0.892% *  3.1155% (0.15   0.02   0.02) =   0.499%
    Distance limit 3.73 A violated in 20 structures by 5.06 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.596, support = 2.0, residual support = 2.73:
          QG2   THR   26 - HB3   CYS   21   2.08 +/- 0.38  99.482% * 95.4718% (0.60   2.00   2.73) =  99.994%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.41 +/- 0.78   0.514% *  1.0982% (0.69   0.02  10.10) =   0.006%
          HG2   LYS+  65 - HB3   CYS   21  16.87 +/- 1.73   0.001% *  0.8813% (0.55   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   CYS   21  15.22 +/- 0.68   0.001% *  0.6231% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  19.72 +/- 0.81   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  22.36 +/- 1.31   0.000% *  0.7992% (0.50   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  21.14 +/- 1.53   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  21.27 +/- 0.82   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.548, support = 1.49, residual support = 6.98:
          QD1   LEU   73 - HB3   CYS   21   3.87 +/- 0.95  61.544% * 94.3053% (0.55   1.50   7.01) =  99.623%  kept
          QD2   LEU   80 - HB3   CYS   21   5.12 +/- 1.42  28.349% *  0.6456% (0.28   0.02   0.02) =   0.314%
          QD1   LEU   80 - HB3   CYS   21   5.68 +/- 0.91   9.501% *  0.3496% (0.15   0.02   0.02) =   0.057%
          QG2   VAL   41 - HB3   CYS   21   8.86 +/- 0.76   0.390% *  0.5894% (0.26   0.02   0.02) =   0.004%
          QD2   LEU   98 - HB3   CYS   21  10.74 +/- 0.96   0.143% *  0.3496% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   CYS   21  13.52 +/- 2.09   0.033% *  1.2574% (0.55   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   CYS   21  14.40 +/- 1.94   0.021% *  1.4496% (0.63   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   CYS   21  16.89 +/- 1.34   0.009% *  0.7040% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   CYS   21  16.58 +/- 0.96   0.009% *  0.3496% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 4 structures by 0.43 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.33, residual support = 28.9:
      O   HN    CYS   21 - HB3   CYS   21   3.57 +/- 0.33  99.805% * 99.8294% (0.65  10.0   3.33  28.93) = 100.000%  kept
          HN    LYS+  33 - HB3   CYS   21  10.68 +/- 0.33   0.158% *  0.0640% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  15.31 +/- 0.99   0.019% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.66 +/- 0.44   0.016% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  21.33 +/- 0.73   0.002% *  0.0555% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.525, support = 0.749, residual support = 1.5:
          HN    TRP   27 - HB3   CYS   21   3.88 +/- 0.63  99.639% * 88.5618% (0.52   0.75   1.50) =  99.992%  kept
          HD1   TRP   87 - HB3   CYS   21  12.00 +/- 0.87   0.150% *  2.8552% (0.63   0.02   0.02) =   0.005%
          HN    THR   39 - HB3   CYS   21  15.41 +/- 0.57   0.040% *  2.9258% (0.65   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   CYS   21  14.95 +/- 0.39   0.046% *  1.7511% (0.39   0.02   0.02) =   0.001%
          HN    ALA   61 - HB3   CYS   21  15.39 +/- 0.82   0.055% *  1.0550% (0.23   0.02   0.02) =   0.001%
          HN    ALA   91 - HB3   CYS   21  17.77 +/- 1.06   0.015% *  1.2716% (0.28   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   CYS   21  14.87 +/- 0.78   0.043% *  0.4186% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  19.19 +/- 1.71   0.011% *  1.1608% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 1 structures by 0.19 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.45, support = 2.64, residual support = 4.84:
          HN    THR   23 - HB3   CYS   21   3.49 +/- 0.52  88.844% * 20.2371% (0.36   1.89   3.94) =  67.400%  kept
          HD2   HIS   22 - HB3   CYS   21   5.20 +/- 0.39  11.075% * 78.5202% (0.63   4.18   6.68) =  32.599%  kept
          QE    PHE   95 - HB3   CYS   21  13.52 +/- 0.99   0.046% *  0.1980% (0.33   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  17.28 +/- 0.79   0.010% *  0.3648% (0.62   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   CYS   21  16.02 +/- 0.89   0.012% *  0.2140% (0.36   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  18.57 +/- 1.40   0.006% *  0.4032% (0.68   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  20.69 +/- 2.02   0.008% *  0.0628% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.52, residual support = 28.9:
      O T HA    CYS   21 - HB3   CYS   21   2.55 +/- 0.14  99.997% * 99.6850% (0.63  10.0 10.00   2.52  28.93) = 100.000%  kept
          HA    CYS   50 - HB3   CYS   21  18.09 +/- 1.89   0.001% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   CYS   21  19.18 +/- 1.22   0.001% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  19.59 +/- 1.02   0.001% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  23.10 +/- 1.08   0.000% *  0.0655% (0.42   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 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 2.62, residual support = 34.1:
      O   HD2   HIS   22 - HB2   HIS   22   3.71 +/- 0.14  76.980% * 87.0950% (0.74  10.0   2.51  34.64) =  95.859%  kept
          HN    THR   23 - HB2   HIS   22   4.54 +/- 0.06  22.954% * 12.6168% (0.42   1.0   5.08  21.23) =   4.141%  kept
          HD1   TRP   49 - HB2   HIS   22  14.30 +/- 1.66   0.031% *  0.0935% (0.79   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  14.61 +/- 1.23   0.023% *  0.0459% (0.39   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  21.50 +/- 0.77   0.002% *  0.0846% (0.72   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  19.72 +/- 2.40   0.008% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  22.24 +/- 0.86   0.002% *  0.0496% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.925, support = 3.2, residual support = 34.3:
      O   HD2   HIS   22 - HB3   HIS   22   3.72 +/- 0.22  65.580% * 94.7794% (0.95  10.0   3.13  34.64) =  97.319%  kept
          HN    THR   23 - HB3   HIS   22   4.17 +/- 0.22  34.388% *  4.9802% (0.18   1.0   5.68  21.23) =   2.681%  kept
          HD1   TRP   49 - HB3   HIS   22  15.82 +/- 1.68   0.014% *  0.0837% (0.84   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  15.45 +/- 1.01   0.015% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  21.93 +/- 0.77   0.002% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  21.45 +/- 0.59   0.002% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 3.34, residual support = 21.2:
          QG2   THR   23 - HB3   HIS   22   3.51 +/- 0.28  99.690% * 96.0039% (0.34   3.34  21.23) =  99.995%  kept
          QG2   THR   77 - HB3   HIS   22   9.85 +/- 0.86   0.298% *  1.6707% (0.99   0.02   0.02) =   0.005%
          QB    ALA   88 - HB3   HIS   22  16.94 +/- 0.80   0.010% *  1.2240% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  25.72 +/- 0.49   0.001% *  0.6326% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  24.99 +/- 0.75   0.001% *  0.4687% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.01 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   3.19 +/- 0.74  98.265% * 98.4523% (0.38   3.21  12.67) =  99.972%  kept
          QD    PHE   95 - HB    THR   46   7.97 +/- 1.23   1.735% *  1.5477% (0.95   0.02   0.02) =   0.028%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 34.5:
      O   HN    THR   46 - HB    THR   46   3.30 +/- 0.42  99.123% * 99.6646% (0.87  10.0   3.25  34.51) =  99.999%  kept
          HN    MET   92 - HB    THR   46   9.17 +/- 1.11   0.565% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB    THR   46   8.83 +/- 1.19   0.297% *  0.1126% (0.98   1.0   0.02   0.14) =   0.000%
          HN    LYS+ 112 - HB    THR   46  15.31 +/- 1.41   0.015% *  0.0604% (0.53   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  31.19 +/- 2.62   0.000% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.466, support = 0.02, residual support = 0.02:
          QG2   THR   77 - HB2   HIS   22   8.53 +/- 1.00  31.425% * 12.9434% (0.64  1.00   0.02   0.02) =  58.003%  kept
          HB3   LEU   80 - HB2   HIS   22   7.46 +/- 0.93  66.682% *  4.0306% (0.20  1.00   0.02   0.02) =  38.327%  kept
          QB    ALA   88 - HB2   HIS   22  15.81 +/- 0.97   0.757% * 16.1643% (0.80  1.00   0.02   0.02) =   1.744%  kept
        T HB2   LEU   63 - HB2   HIS   22  19.13 +/- 1.41   0.268% * 28.3087% (0.14 10.00   0.02   0.02) =   1.080%  kept
          HB2   LEU   31 - HB2   HIS   22  16.19 +/- 0.55   0.735% *  6.0667% (0.30  1.00   0.02   0.02) =   0.636%  kept
          HG2   LYS+  99 - HB2   HIS   22  24.96 +/- 1.05   0.052% * 11.7377% (0.58  1.00   0.02   0.02) =   0.087%
          HG2   LYS+  38 - HB2   HIS   22  26.14 +/- 0.54   0.042% * 13.5016% (0.67  1.00   0.02   0.02) =   0.081%
          HG2   LYS+ 111 - HB2   HIS   22  26.27 +/- 1.64   0.041% *  7.2470% (0.36  1.00   0.02   0.02) =   0.042%
    Distance limit 3.89 A violated in 20 structures by 3.05 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 14.6:
      O   HN    CYS   21 - HA    ALA   20   2.22 +/- 0.01  99.998% * 99.8294% (0.95  10.0   2.96  14.63) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  14.76 +/- 0.57   0.001% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  17.08 +/- 0.72   0.000% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  19.77 +/- 0.87   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  18.70 +/- 0.64   0.000% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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   8.47 +/- 0.49 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.16 A violated in 20 structures by 5.31 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.572, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   4.13 +/- 0.90  98.617% * 18.5628% (0.57   0.02   0.02) =  98.917%  kept
          HB3   PHE   45 - HA    HIS   22   9.46 +/- 0.88   1.290% * 13.7211% (0.42   0.02   0.02) =   0.957%  kept
          QG    GLN   32 - HA    HIS   22  15.83 +/- 1.11   0.056% * 27.4474% (0.85   0.02   0.02) =   0.082%
          HB    VAL  107 - HA    HIS   22  18.42 +/- 0.95   0.024% * 26.5475% (0.82   0.02   0.02) =   0.035%
          QE    LYS+ 112 - HA    HIS   22  21.00 +/- 2.24   0.013% * 13.7211% (0.42   0.02   0.02) =   0.009%
    Distance limit 3.27 A violated in 10 structures by 0.96 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.352, support = 0.0199, residual support = 0.0199:
        T HB2   LEU   73 - HA    HIS   22   7.97 +/- 1.11  37.977% * 28.4146% (0.26 10.00   0.02   0.02) =  76.752%  kept
          HB    VAL   83 - HA    HIS   22   8.20 +/- 0.83  32.756% *  8.1833% (0.76  1.00   0.02   0.02) =  19.065%  kept
          HD2   LYS+  74 - HA    HIS   22   8.47 +/- 1.10  27.818% *  1.7898% (0.17  1.00   0.02   0.02) =   3.541%  kept
          HG3   PRO   93 - HA    HIS   22  18.00 +/- 0.93   0.309% *  8.5362% (0.79  1.00   0.02   0.02) =   0.187%
          QD    LYS+  65 - HA    HIS   22  17.96 +/- 1.23   0.297% *  7.4210% (0.69  1.00   0.02   0.02) =   0.157%
          HB3   MET   92 - HA    HIS   22  17.40 +/- 1.34   0.359% *  4.2014% (0.39  1.00   0.02   0.02) =   0.107%
          QD    LYS+ 102 - HA    HIS   22  21.48 +/- 1.52   0.106% *  9.8627% (0.91  1.00   0.02   0.02) =   0.074%
          QD    LYS+  38 - HA    HIS   22  22.87 +/- 0.66   0.063% *  9.4340% (0.87  1.00   0.02   0.02) =   0.043%
          HB2   LYS+ 121 - HA    HIS   22  23.74 +/- 1.19   0.049% *  7.0200% (0.65  1.00   0.02   0.02) =   0.024%
          QD    LYS+ 106 - HA    HIS   22  18.78 +/- 0.83   0.213% *  1.5768% (0.15  1.00   0.02   0.02) =   0.024%
          HB2   LEU  123 - HA    HIS   22  27.26 +/- 1.54   0.022% *  8.1833% (0.76  1.00   0.02   0.02) =   0.013%
          HD2   LYS+ 111 - HA    HIS   22  25.87 +/- 1.09   0.031% *  5.3768% (0.50  1.00   0.02   0.02) =   0.012%
    Distance limit 3.42 A violated in 20 structures by 3.19 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  10.16 +/- 0.35  98.061% * 67.5049% (0.39   0.02   0.02) =  99.057%  kept
          HN    LEU   40 - HA    HIS   22  19.60 +/- 0.79   1.939% * 32.4951% (0.19   0.02   0.02) =   0.943%  kept
    Distance limit 3.55 A violated in 20 structures by 6.57 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 = 4.43, residual support = 17.3:
      O   HN    VAL   24 - HA    THR   23   2.20 +/- 0.05 100.000% *100.0000% (0.64  10.0   4.43  17.30) = 100.000%  kept
    Distance limit 3.13 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 = 4.72, residual support = 18.7:
          HN    THR   23 - QG2   THR   23   3.03 +/- 0.60  94.403% * 62.4806% (0.73   4.75  18.71) =  98.513%  kept
          HD2   HIS   22 - QG2   THR   23   5.72 +/- 0.48   2.490% * 35.7000% (0.76   2.58  21.23) =   1.485%  kept
          HD1   TRP   49 - QB    ALA   91   7.08 +/- 1.74   1.825% *  0.0341% (0.09   0.02   0.02) =   0.001%
          HE3   TRP   27 - QG2   THR   23   8.33 +/- 0.99   0.293% *  0.0806% (0.22   0.02   1.88) =   0.000%
          HN    LEU   67 - QG2   THR   39   9.03 +/- 0.83   0.237% *  0.0799% (0.22   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    ALA   91   9.19 +/- 1.52   0.379% *  0.0261% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39  10.03 +/- 0.61   0.097% *  0.0275% (0.08   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  15.96 +/- 1.39   0.007% *  0.3247% (0.90   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  14.82 +/- 0.95   0.009% *  0.2487% (0.69   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  10.49 +/- 1.26   0.090% *  0.0179% (0.05   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  13.22 +/- 1.55   0.020% *  0.0554% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  10.36 +/- 1.19   0.090% *  0.0106% (0.03   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  15.02 +/- 0.75   0.010% *  0.0616% (0.17   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  14.76 +/- 0.53   0.011% *  0.0585% (0.16   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  19.38 +/- 1.03   0.002% *  0.3589% (0.99   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  16.46 +/- 1.05   0.005% *  0.1235% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  19.87 +/- 1.90   0.003% *  0.1007% (0.28   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  15.02 +/- 0.75   0.010% *  0.0291% (0.08   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  16.01 +/- 0.41   0.006% *  0.0276% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  15.44 +/- 0.88   0.009% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  20.73 +/- 1.33   0.002% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  23.88 +/- 1.47   0.001% *  0.0723% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  19.98 +/- 1.17   0.002% *  0.0224% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  23.53 +/- 1.55   0.001% *  0.0130% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.18 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   2.90 +/- 0.80  99.884% * 91.4930% (0.34   1.84  10.83) =  99.997%  kept
          HG3   MET   96 - HA    VAL   83  10.80 +/- 0.56   0.094% *  2.9234% (1.00   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HA    VAL   83  14.20 +/- 0.90   0.020% *  0.6508% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  21.59 +/- 1.00   0.001% *  2.6986% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  23.96 +/- 1.01   0.001% *  2.2341% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.8:
        T HB2   ASP-  86 - HA    VAL   83   2.54 +/- 0.56  99.938% * 99.6258% (0.98 10.00   2.25  10.83) = 100.000%  kept
          HB2   ASN   28 - HA    VAL   83  10.22 +/- 0.56   0.045% *  0.0912% (0.90  1.00   0.02   0.49) =   0.000%
          HB2   ASP-  78 - HA    VAL   83  12.89 +/- 0.32   0.012% *  0.0283% (0.28  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  17.00 +/- 1.12   0.002% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  17.63 +/- 1.11   0.002% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  23.26 +/- 1.14   0.000% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.02 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 +/- 0.01  99.996% * 99.7575% (0.57  10.0   4.70  87.47) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  17.64 +/- 0.73   0.002% *  0.1700% (0.97   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  17.03 +/- 0.87   0.002% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 +/- 0.16  99.942% * 97.0740% (0.95   2.25  10.83) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  12.15 +/- 0.66   0.023% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  11.50 +/- 0.61   0.031% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  16.88 +/- 1.08   0.003% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  21.83 +/- 2.14   0.001% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  26.27 +/- 1.59   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 4.31, residual support = 15.5:
          HD1   TRP   87 - HA    VAL   83   4.25 +/- 0.58  94.955% * 97.6674% (0.73   4.31  15.47) =  99.985%  kept
          HE3   TRP   87 - HA    VAL   83   7.53 +/- 0.35   3.659% *  0.1734% (0.28   0.02  15.47) =   0.007%
          HN    TRP   27 - HA    VAL   83   9.55 +/- 0.61   1.055% *  0.5899% (0.95   0.02   3.93) =   0.007%
          HN    ALA   91 - HA    VAL   83  11.69 +/- 0.49   0.270% *  0.4034% (0.65   0.02   0.02) =   0.001%
          HN    THR   39 - HA    VAL   83  20.41 +/- 0.59   0.010% *  0.4766% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   83  17.78 +/- 1.80   0.028% *  0.1234% (0.20   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   83  20.76 +/- 0.66   0.009% *  0.3531% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    VAL   83  19.43 +/- 0.71   0.014% *  0.2127% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 6 structures by 0.54 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.387, support = 1.87, residual support = 9.65:
          QD2   LEU   80 - HA    VAL   24   2.75 +/- 0.65  71.642% * 68.2617% (0.41   1.95   9.65) =  87.487%  kept
          QD1   LEU   80 - HA    VAL   24   3.76 +/- 0.91  27.647% * 25.2670% (0.22   1.33   9.65) =  12.497%  kept
          QD1   LEU   73 - HA    VAL   24   6.49 +/- 0.76   0.613% *  1.3660% (0.80   0.02   0.02) =   0.015%
          QG2   VAL   41 - HA    VAL   24   9.38 +/- 0.59   0.056% *  0.6402% (0.38   0.02   0.02) =   0.001%
          QD2   LEU   98 - HA    VAL   24  10.43 +/- 1.25   0.034% *  0.3798% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   24  15.95 +/- 1.99   0.003% *  1.3660% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    VAL   24  17.04 +/- 1.85   0.002% *  1.5747% (0.92   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  18.59 +/- 1.59   0.001% *  0.7648% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   24  17.25 +/- 1.25   0.001% *  0.3798% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 63.0:
      O T HB    VAL   24 - HA    VAL   24   2.62 +/- 0.31  99.965% * 98.9275% (1.00  10.0 10.00   3.97  63.02) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.36 +/- 0.36   0.034% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  24.17 +/- 1.20   0.000% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  19.39 +/- 0.95   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  21.63 +/- 1.69   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  24.35 +/- 1.06   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 25.7:
        T HB3   TRP   27 - HA    VAL   24   3.53 +/- 0.11  99.970% * 99.7179% (1.00 10.00   3.00  25.75) = 100.000%  kept
          HB2   PHE   97 - HA    VAL   24  17.56 +/- 0.74   0.007% *  0.0991% (0.99  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    VAL   24  17.84 +/- 1.05   0.007% *  0.0647% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  16.95 +/- 0.88   0.009% *  0.0448% (0.45  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  18.37 +/- 0.51   0.005% *  0.0486% (0.49  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  20.60 +/- 0.51   0.003% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.04, residual support = 63.0:
      O   HN    VAL   24 - HA    VAL   24   2.77 +/- 0.04 100.000% *100.0000% (0.97  10.0   4.04  63.02) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2390 (8.79, 3.77, 66.14 ppm):
    3 chemical-shift based assignments, quality = 0.889, support = 5.6, residual support = 31.9:
      O   HN    GLU-  25 - HA    VAL   24   3.60 +/- 0.02  59.606% * 87.5771% (0.92  10.0   5.66  33.87) =  91.311%  kept
          HN    ASN   28 - HA    VAL   24   3.86 +/- 0.17  40.278% * 12.3332% (0.53   1.0   4.94  11.41) =   8.689%  kept
          HN    ASP-  44 - HA    VAL   24  10.35 +/- 0.63   0.115% *  0.0897% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.12, residual support = 25.7:
          HN    TRP   27 - HA    VAL   24   3.23 +/- 0.10  99.702% * 94.7999% (0.45   3.12  25.75) =  99.996%  kept
          HD1   TRP   87 - HA    VAL   24   8.87 +/- 0.69   0.274% *  1.3436% (0.99   0.02   0.02) =   0.004%
          HN    GLU-  36 - HA    VAL   24  16.10 +/- 0.34   0.007% *  1.1758% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  17.60 +/- 0.33   0.004% *  1.3287% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  18.75 +/- 1.65   0.003% *  0.9311% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  15.92 +/- 0.73   0.007% *  0.2374% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  19.35 +/- 0.66   0.002% *  0.1835% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 63.0:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.02  99.990% * 98.9402% (0.98  10.0 10.00   3.24  63.02) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  12.20 +/- 0.37   0.003% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.48 +/- 0.38   0.004% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.64 +/- 2.14   0.002% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  22.65 +/- 1.12   0.000% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.14 +/- 1.74   0.001% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.72 +/- 1.18   0.000% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.08 +/- 0.98   0.000% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  16.08 +/- 1.52   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  24.15 +/- 3.53   0.000% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  23.97 +/- 1.93   0.000% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  28.55 +/- 2.55   0.000% *  0.1009% (1.00   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 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 63.0:
      O   QG2   VAL   24 - HB    VAL   24   2.13 +/- 0.01  99.994% * 99.6470% (1.00  10.0   3.23  63.02) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  11.82 +/- 1.24   0.004% *  0.0579% (0.58   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.14 +/- 1.74   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  22.43 +/- 2.34   0.000% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  21.87 +/- 1.03   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.72 +/- 1.18   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  23.93 +/- 2.85   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  27.40 +/- 2.65   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.823, support = 1.69, residual support = 6.71:
          QD2   LEU   80 - HB    VAL   24   3.20 +/- 0.96  56.833% * 57.9087% (0.80   1.95   9.65) =  66.940%  kept
          QG1   VAL   83 - HB    VAL   24   3.43 +/- 1.06  42.719% * 38.0461% (0.87   1.18   0.78) =  33.057%  kept
          QD1   LEU   73 - HB    VAL   24   8.57 +/- 0.85   0.242% *  0.3055% (0.41   0.02   0.02) =   0.002%
          QG2   ILE   89 - HB    VAL   24   9.93 +/- 1.06   0.071% *  0.1853% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   PRO   68  13.02 +/- 1.79   0.030% *  0.4242% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   PRO   68  11.16 +/- 1.18   0.060% *  0.1807% (0.24   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  15.26 +/- 1.84   0.013% *  0.3359% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   PRO   68  13.67 +/- 0.65   0.020% *  0.1807% (0.24   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  18.83 +/- 1.46   0.002% *  0.7170% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   24  17.67 +/- 2.08   0.004% *  0.3055% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   24  19.97 +/- 2.00   0.001% *  0.5678% (0.76   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  20.65 +/- 0.98   0.002% *  0.3519% (0.47   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  21.05 +/- 0.64   0.001% *  0.3812% (0.51   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  21.09 +/- 0.98   0.001% *  0.1096% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.887, support = 3.99, residual support = 62.7:
      O T HA    VAL   24 - HB    VAL   24   2.62 +/- 0.31  90.507% * 89.0301% (0.90  10.0 10.00   3.97  63.02) =  98.803%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.12   9.489% * 10.2842% (0.10  10.0  1.00   5.47  35.80) =   1.197%  kept
          HA    LYS+  38 - HB2   PRO   68  15.11 +/- 1.24   0.003% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  24.17 +/- 1.20   0.000% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.79 +/- 0.53   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  25.70 +/- 1.29   0.000% *  0.0174% (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 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.24, residual support = 63.0:
      O T HB    VAL   24 - QG1   VAL   24   2.11 +/- 0.02  99.990% * 98.6521% (0.92  10.0 10.00   3.24  63.02) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24   9.97 +/- 0.44   0.009% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  22.65 +/- 1.12   0.000% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  18.17 +/- 0.93   0.000% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  18.70 +/- 1.73   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  18.54 +/- 1.08   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  22.12 +/- 1.19   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  25.55 +/- 2.53   0.000% *  0.0238% (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 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.345, support = 5.81, residual support = 32.2:
      O   HN    ASN   69 - HB2   PRO   68   3.48 +/- 0.65  50.053% * 46.5675% (0.20  10.0   5.85  31.47) =  57.471%  kept
          HN    GLU-  25 - HB    VAL   24   3.51 +/- 0.64  46.775% * 35.7260% (0.53   1.0   5.88  33.87) =  41.204%  kept
          HN    ASN   28 - HB    VAL   24   5.70 +/- 0.25   3.120% * 17.2220% (0.92   1.0   1.62  11.41) =   1.325%  kept
          HN    ASP-  44 - HB    VAL   24  12.38 +/- 1.11   0.044% *  0.1307% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.86 +/- 0.85   0.005% *  0.0773% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.45 +/- 1.12   0.001% *  0.1260% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  24.51 +/- 1.03   0.001% *  0.0787% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  26.05 +/- 1.33   0.000% *  0.0718% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.38, residual support = 63.0:
      O   HN    VAL   24 - HB    VAL   24   2.45 +/- 0.22 100.000% * 99.9409% (0.38  10.0   4.38  63.02) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  26.04 +/- 1.26   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 = 63.0:
          HN    VAL   24 - QG1   VAL   24   2.14 +/- 0.33 100.000% *100.0000% (0.73   3.79  63.02) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.06, residual support = 125.9:
      O   HN    GLU-  25 - HB2   GLU-  25   2.83 +/- 0.44  97.475% * 99.5455% (0.41  10.0   6.06 125.88) =  99.994%  kept
          HN    ASN   28 - HB2   GLU-  25   5.51 +/- 0.13   2.519% *  0.2373% (0.98   1.0   0.02   2.77) =   0.006%
          HN    ASP-  44 - HB2   GLU-  25  15.03 +/- 0.54   0.006% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  24.09 +/- 0.89   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 = 125.9:
      O   HN    GLU-  25 - HB3   GLU-  25   2.62 +/- 0.72  97.282% * 99.5455% (0.41  10.0   5.87 125.88) =  99.993%  kept
          HN    ASN   28 - HB3   GLU-  25   5.65 +/- 0.17   2.712% *  0.2373% (0.98   1.0   0.02   2.77) =   0.007%
          HN    ASP-  44 - HB3   GLU-  25  15.33 +/- 0.60   0.005% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.61 +/- 0.89   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.26, residual support = 28.7:
          HN    THR   26 - HB3   GLU-  25   3.22 +/- 0.15  99.997% * 98.7462% (0.34   5.26  28.65) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  18.69 +/- 0.83   0.003% *  0.8408% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  31.71 +/- 0.88   0.000% *  0.4129% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.96, residual support = 2.96:
          HN    SER   85 - HA    SER   82   3.45 +/- 0.14  98.630% * 92.1173% (0.26   2.96   2.96) =  99.985%  kept
          HN    GLN   32 - HA    GLU-  25   8.61 +/- 0.31   0.422% *  2.4019% (1.00   0.02   0.02) =   0.011%
          HN    LEU   80 - HA    SER   82   7.91 +/- 0.24   0.710% *  0.2401% (0.10   0.02   0.15) =   0.002%
          HN    LEU   80 - HA    GLU-  25  10.44 +/- 0.81   0.147% *  0.7413% (0.31   0.02   0.02) =   0.001%
          HN    SER   85 - HA    GLU-  25  13.59 +/- 0.73   0.029% *  1.9233% (0.80   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    GLU-  25  12.23 +/- 0.35   0.051% *  0.9874% (0.41   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    SER   82  17.74 +/- 0.87   0.006% *  0.7781% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  20.64 +/- 0.78   0.002% *  0.3199% (0.13   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  19.74 +/- 0.79   0.003% *  0.1201% (0.05   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  24.91 +/- 0.67   0.001% *  0.3706% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.443, support = 5.64, residual support = 119.0:
      O   HN    GLU-  25 - HA    GLU-  25   2.71 +/- 0.02  85.364% * 74.0502% (0.41  10.0   5.81 125.88) =  94.409%  kept
          HN    ASN   28 - HA    GLU-  25   3.65 +/- 0.11  14.592% * 25.6548% (0.98   1.0   2.91   2.77) =   5.591%  kept
          HN    ASN   28 - HA    SER   82  12.24 +/- 0.82   0.011% *  0.0572% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    SER   82  10.71 +/- 0.84   0.026% *  0.0240% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    GLU-  25  14.23 +/- 0.55   0.004% *  0.0808% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.21 +/- 0.45   0.003% *  0.0262% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  23.59 +/- 0.71   0.000% *  0.0808% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  29.02 +/- 0.48   0.000% *  0.0262% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2405 (7.59, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 0.32, support = 4.12, residual support = 8.46:
          HN    ALA   84 - HA    SER   82   4.16 +/- 0.11  62.091% * 54.7191% (0.20   5.35  10.91) =  69.957%  kept
          HD21  ASN   28 - HA    GLU-  25   4.55 +/- 0.11  36.410% * 40.0630% (0.61   1.27   2.77) =  30.035%  kept
          HZ2   TRP   87 - HA    GLU-  25  10.17 +/- 0.98   0.361% *  0.4282% (0.41   0.02   0.02) =   0.003%
          HD21  ASN   28 - HA    SER   82   9.96 +/- 1.11   0.418% *  0.2046% (0.20   0.02   0.02) =   0.002%
          HN    ALA   84 - HA    GLU-  25  11.99 +/- 0.66   0.114% *  0.6317% (0.61   0.02   0.02) =   0.001%
          HE21  GLN   32 - HA    GLU-  25  10.90 +/- 1.37   0.285% *  0.2319% (0.22   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    SER   82  10.12 +/- 0.35   0.308% *  0.1387% (0.13   0.02   0.02) =   0.001%
          HN    LEU   63 - HA    GLU-  25  24.27 +/- 0.86   0.002% *  1.0323% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  26.32 +/- 1.35   0.001% *  0.9853% (0.95   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  22.86 +/- 1.18   0.002% *  0.3192% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  22.54 +/- 1.57   0.003% *  0.2046% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  27.69 +/- 1.30   0.001% *  0.6317% (0.61   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  25.45 +/- 0.87   0.001% *  0.3344% (0.32   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  20.95 +/- 1.85   0.005% *  0.0751% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.987, support = 0.75, residual support = 2.76:
          HB2   ASN   28 - HA    GLU-  25   3.37 +/- 0.19  97.426% * 72.2523% (0.99   0.75   2.77) =  99.451%  kept
          HB2   ASP-  86 - HA    SER   82   6.45 +/- 0.46   2.214% * 17.3837% (0.24   0.76   0.02) =   0.544%  kept
          QE    LYS+  33 - HA    GLU-  25  11.54 +/- 1.81   0.096% *  1.9396% (1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HA    GLU-  25  11.77 +/- 0.86   0.064% *  1.4116% (0.73   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    SER   82  11.88 +/- 0.34   0.054% *  0.3819% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    SER   82  13.27 +/- 0.80   0.030% *  0.6241% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    GLU-  25  13.95 +/- 0.88   0.021% *  0.7296% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    GLU-  25  13.45 +/- 0.73   0.027% *  0.3847% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  16.39 +/- 0.69   0.008% *  1.1791% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  11.92 +/- 0.49   0.055% *  0.1246% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  23.07 +/- 1.78   0.001% *  1.7945% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  20.37 +/- 1.31   0.002% *  0.6283% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  21.90 +/- 1.20   0.001% *  0.2363% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  26.08 +/- 1.21   0.000% *  0.5813% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  23.50 +/- 0.91   0.001% *  0.2631% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  29.76 +/- 0.93   0.000% *  0.0852% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.321, support = 2.85, residual support = 10.9:
          QB    ALA   84 - HA    SER   82   4.44 +/- 0.09  84.369% * 79.3773% (0.32   2.85  10.91) =  99.902%  kept
          HB3   LEU   80 - HA    SER   82   6.37 +/- 0.49  10.995% *  0.2732% (0.16   0.02   0.15) =   0.045%
          HB3   LEU   80 - HA    GLU-  25   8.81 +/- 1.21   2.013% *  0.8433% (0.49   0.02   0.02) =   0.025%
          HB2   LEU   31 - HA    GLU-  25   8.71 +/- 0.26   1.511% *  0.5910% (0.34   0.02   0.02) =   0.013%
          QB    ALA   84 - HA    GLU-  25  12.02 +/- 0.54   0.225% *  1.7171% (0.99   0.02   0.02) =   0.006%
          HB3   LEU   73 - HA    GLU-  25  11.45 +/- 0.55   0.298% *  0.7122% (0.41   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HA    GLU-  25  12.76 +/- 1.83   0.242% *  0.4817% (0.28   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    GLU-  25  15.72 +/- 1.74   0.053% *  1.6388% (0.95   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    GLU-  25  17.41 +/- 0.75   0.024% *  1.2580% (0.73   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  25  16.40 +/- 0.84   0.035% *  0.5910% (0.34   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    SER   82  17.39 +/- 1.96   0.029% *  0.5309% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    SER   82  16.98 +/- 0.45   0.028% *  0.4075% (0.24   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    SER   82  15.70 +/- 0.75   0.046% *  0.2307% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    SER   82  18.88 +/- 0.78   0.015% *  0.5600% (0.32   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    SER   82  16.02 +/- 0.80   0.041% *  0.1914% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    GLU-  25  21.56 +/- 0.78   0.007% *  1.1207% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  25  23.22 +/- 0.74   0.004% *  1.7286% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    GLU-  25  21.21 +/- 1.91   0.009% *  0.7767% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    SER   82  19.25 +/- 0.83   0.013% *  0.3631% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU-  25  23.15 +/- 1.28   0.004% *  1.0508% (0.61   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU-  25  28.05 +/- 2.77   0.002% *  1.5028% (0.87   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    SER   82  20.08 +/- 0.59   0.010% *  0.1914% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    GLU-  25  25.12 +/- 1.51   0.003% *  0.5910% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    SER   82  22.72 +/- 2.26   0.006% *  0.2516% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    SER   82  24.22 +/- 1.24   0.003% *  0.3404% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    SER   82  22.23 +/- 1.79   0.006% *  0.1560% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  25  31.70 +/- 1.16   0.001% *  0.9115% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    SER   82  24.58 +/- 1.86   0.003% *  0.1560% (0.09   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    SER   82  30.02 +/- 1.89   0.001% *  0.4868% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    SER   82  27.60 +/- 1.33   0.002% *  0.2953% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU-  25  30.29 +/- 1.73   0.001% *  0.4817% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    SER   82  28.48 +/- 1.03   0.001% *  0.1914% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 12 structures by 0.94 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.527, support = 0.0199, residual support = 0.0199:
          QG2   VAL  108 - HA    SER   82  14.08 +/- 0.91  60.906% *  7.4304% (0.30   0.02   0.02) =  46.970%  kept
          QG2   VAL  108 - HA    GLU-  25  18.65 +/- 1.38  11.631% * 22.9376% (0.92   0.02   0.02) =  27.689%  kept
          HB2   LEU  104 - HA    GLU-  25  21.84 +/- 0.98   4.539% * 19.8967% (0.80   0.02   0.02) =   9.373%  kept
          QD1   ILE  119 - HA    GLU-  25  21.42 +/- 1.35   5.607% * 12.0948% (0.49   0.02   0.02) =   7.039%  kept
          QD1   ILE  119 - HA    SER   82  21.07 +/- 1.25   6.114% *  3.9180% (0.16   0.02   0.02) =   2.486%  kept
          HB2   LEU  104 - HA    SER   82  22.74 +/- 0.88   3.690% *  6.4453% (0.26   0.02   0.02) =   2.469%  kept
          HG    LEU   63 - HA    GLU-  25  23.60 +/- 2.30   3.119% *  5.5320% (0.22   0.02   0.02) =   1.791%  kept
          HG3   LYS+ 112 - HA    GLU-  25  30.55 +/- 1.90   0.631% * 15.0711% (0.61   0.02   0.02) =   0.986%  kept
          HG3   LYS+ 112 - HA    SER   82  26.42 +/- 2.16   1.549% *  4.8821% (0.20   0.02   0.02) =   0.785%  kept
          HG    LEU   63 - HA    SER   82  24.89 +/- 2.09   2.213% *  1.7920% (0.07   0.02   0.02) =   0.412%
    Distance limit 3.87 A violated in 20 structures by 9.11 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.25, support = 1.98, residual support = 10.2:
          HB2   GLU-  29 - HA    THR   26   2.37 +/- 0.53  92.363% * 13.9057% (0.22   0.98   1.36) =  67.746%  kept
          HB2   GLU-  25 - HA    THR   26   4.17 +/- 0.38   7.626% * 80.1858% (0.31   4.07  28.65) =  32.253%  kept
          HB3   ASP-  76 - HA    THR   26  14.07 +/- 0.81   0.004% *  1.1437% (0.90   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  14.89 +/- 0.72   0.003% *  1.1437% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  15.72 +/- 1.66   0.003% *  0.5243% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  18.03 +/- 1.10   0.001% *  1.2064% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  17.86 +/- 0.95   0.001% *  0.6208% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  23.55 +/- 0.98   0.000% *  0.8760% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  25.64 +/- 1.42   0.000% *  0.3936% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.35, residual support = 35.0:
      O   HN    THR   26 - HA    THR   26   2.83 +/- 0.02  99.994% * 99.6670% (0.34  10.0   4.35  35.04) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  14.39 +/- 0.79   0.006% *  0.2233% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  29.58 +/- 0.65   0.000% *  0.1097% (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 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.507, support = 1.3, residual support = 3.54:
          HN    GLN   30 - HA    THR   26   4.02 +/- 0.36  25.027% * 78.4585% (0.69   1.51   4.91) =  61.333%  kept
          HN    GLU-  29 - HA    THR   26   3.27 +/- 0.14  74.957% * 16.5149% (0.22   0.98   1.36) =  38.667%  kept
          HN    GLU-  14 - HA    THR   26  16.54 +/- 2.07   0.007% *  1.4846% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  15.66 +/- 0.58   0.006% *  0.9186% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  18.25 +/- 0.58   0.003% *  1.2651% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  21.82 +/- 1.54   0.001% *  1.3583% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.379, support = 2.24, residual support = 14.0:
          HN    THR   23 - HB    THR   26   3.72 +/- 0.09  98.464% * 68.5393% (0.38   2.25  14.11) =  99.403%  kept
          HD2   HIS   22 - HB    THR   26   7.52 +/- 0.38   1.502% * 26.9425% (0.99   0.33   0.02) =   0.596%  kept
          HD21  ASN   35 - HB    THR   26  16.08 +/- 0.59   0.016% *  1.1150% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  17.03 +/- 0.93   0.011% *  0.5537% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  21.00 +/- 1.66   0.003% *  1.6089% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  20.79 +/- 0.92   0.003% *  1.2406% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.42, residual support = 22.1:
          HN    TRP   27 - HB    THR   26   3.16 +/- 0.20  99.962% * 98.0693% (0.84   4.42  22.09) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  13.93 +/- 0.64   0.014% *  0.4610% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  15.10 +/- 0.28   0.009% *  0.2587% (0.49   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  16.80 +/- 0.46   0.005% *  0.4766% (0.90   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  19.32 +/- 0.82   0.002% *  0.2185% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  16.78 +/- 0.67   0.005% *  0.0931% (0.18   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  20.26 +/- 0.69   0.002% *  0.2587% (0.49   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  21.10 +/- 1.70   0.001% *  0.1640% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 35.0:
      O   HN    THR   26 - HB    THR   26   2.01 +/- 0.08  99.999% * 99.9615% (0.80  10.0   4.16  35.04) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.32 +/- 0.91   0.001% *  0.0385% (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 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.194, support = 0.742, residual support = 2.65:
          HA    CYS   21 - QG2   THR   26   2.63 +/- 0.48  99.010% * 23.8013% (0.18   0.75   2.73) =  97.259%  kept
          HA    ALA   20 - QG2   THR   26   5.97 +/- 0.39   0.897% * 74.0147% (0.87   0.47   0.02) =   2.739%  kept
          HA    LEU   71 - QG2   THR   26   9.56 +/- 0.73   0.091% *  0.5592% (0.15   0.02   0.02) =   0.002%
          HA    LYS+ 102 - QG2   THR   26  16.54 +/- 1.09   0.003% *  1.6248% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.875, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  11.30 +/- 1.10  67.247% * 18.7520% (0.92   0.02   0.02) =  78.184%  kept
          HG2   MET   11 - QG2   THR   26  18.55 +/- 2.60   4.967% * 19.2160% (0.95   0.02   0.02) =   5.918%  kept
          HB2   PRO   93 - QG2   THR   26  16.62 +/- 1.01   7.647% * 12.3210% (0.61   0.02   0.02) =   5.841%  kept
          HG2   PRO   58 - QG2   THR   26  19.35 +/- 0.79   2.850% * 17.6208% (0.87   0.02   0.02) =   3.114%  kept
          HG3   PRO   52 - QG2   THR   26  19.71 +/- 1.12   2.672% * 17.6208% (0.87   0.02   0.02) =   2.919%  kept
          HB    VAL  108 - QG2   THR   26  18.10 +/- 1.16   4.438% *  5.0653% (0.25   0.02   0.02) =   1.394%  kept
          HB2   PRO   68 - QG2   THR   26  16.79 +/- 1.41   6.823% *  3.1343% (0.15   0.02   0.02) =   1.326%  kept
          HB2   ARG+  54 - QG2   THR   26  19.30 +/- 1.99   3.356% *  6.2698% (0.31   0.02   0.02) =   1.305%  kept
    Distance limit 3.38 A violated in 20 structures by 7.15 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.75, residual support = 4.91:
        T HG2   GLN   30 - QG2   THR   26   2.66 +/- 0.60  99.531% * 99.5048% (0.99 10.00   0.75   4.91) =  99.999%  kept
          HB3   ASN   28 - QG2   THR   26   7.36 +/- 0.12   0.465% *  0.2584% (0.97  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QG2   THR   26  18.64 +/- 1.64   0.002% *  0.1624% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  18.31 +/- 1.75   0.002% *  0.0744% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.908, support = 2.75, residual support = 10.9:
          QD1   LEU   73 - HB3   TRP   27   3.60 +/- 0.83  47.914% * 51.6322% (1.00   2.74  14.30) =  57.539%  kept
          QD2   LEU   80 - HB3   TRP   27   3.93 +/- 1.17  41.968% * 42.3159% (0.80   2.80   6.41) =  41.305%  kept
          QG1   VAL   83 - HB3   TRP   27   4.58 +/- 0.64  10.081% *  4.9326% (0.18   1.49   3.93) =   1.157%  kept
          QD1   LEU   63 - HB3   TRP   27  13.33 +/- 2.02   0.017% *  0.3772% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  14.31 +/- 1.89   0.010% *  0.2135% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  15.13 +/- 1.24   0.006% *  0.2135% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  16.39 +/- 1.51   0.004% *  0.3150% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 25.7:
        T HA    VAL   24 - HB3   TRP   27   3.53 +/- 0.11  99.265% * 98.5200% (0.76 10.00   3.00  25.75) = 100.000%  kept
          HA    VAL   83 - HB3   TRP   27   8.24 +/- 0.68   0.712% *  0.0174% (0.14  1.00   0.02   3.93) =   0.000%
        T HA    LYS+  38 - HB3   TRP   27  16.50 +/- 0.34   0.010% *  1.2636% (0.98 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  15.91 +/- 1.24   0.013% *  0.1989% (0.15 10.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 25.7:
          HA    VAL   24 - HB2   TRP   27   2.06 +/- 0.12  99.999% * 99.1878% (0.97   3.00  25.75) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  17.02 +/- 0.34   0.000% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  17.24 +/- 0.62   0.000% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  21.33 +/- 1.13   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 = 0.913, support = 2.76, residual support = 7.93:
          QD2   LEU   80 - HB2   TRP   27   3.58 +/- 0.94  55.485% * 43.9922% (0.98   2.78   6.41) =  70.025%  kept
          QD1   LEU   73 - HB2   TRP   27   4.84 +/- 0.76  17.027% * 44.6706% (0.90   3.08  14.30) =  21.820%  kept
          QG1   VAL   83 - HB2   TRP   27   4.04 +/- 0.60  27.447% * 10.3574% (0.38   1.71   3.93) =   8.155%  kept
          QD1   LEU   63 - HB2   TRP   27  14.71 +/- 2.03   0.017% *  0.2898% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  15.97 +/- 1.23   0.008% *  0.2699% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  17.68 +/- 1.53   0.004% *  0.3203% (0.99   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  15.67 +/- 1.91   0.011% *  0.0997% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.0, residual support = 17.5:
          QD1   LEU   31 - HA    ASN   28   3.27 +/- 0.36 100.000% *100.0000% (0.76   3.00  17.46) = 100.000%  kept
    Distance limit 3.62 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 = 4.9, residual support = 92.0:
      O T HA    GLU-  29 - HG3   GLU-  29   3.47 +/- 0.14  99.650% * 97.0747% (0.22  10.0 10.00   4.90  91.98) =  99.995%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.57 +/- 0.77   0.288% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          HB2   SER   37 - HG3   GLU-  29  15.13 +/- 0.91   0.017% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  18.00 +/- 0.93   0.006% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  14.26 +/- 1.17   0.025% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  20.23 +/- 1.81   0.003% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  16.72 +/- 1.02   0.010% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  29.60 +/- 1.29   0.000% *  0.2821% (0.65   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 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 98.0:
      O   HD1   TRP   27 - HB2   TRP   27   2.71 +/- 0.25  99.552% * 99.7286% (0.98  10.0   3.66  97.98) = 100.000%  kept
          HE21  GLN   30 - HB2   TRP   27   7.51 +/- 1.37   0.446% *  0.0939% (0.92   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HB2   TRP   27  17.83 +/- 1.52   0.002% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  22.35 +/- 2.17   0.000% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.25, residual support = 98.0:
      O   HN    TRP   27 - HB2   TRP   27   2.09 +/- 0.05  99.978% * 99.5184% (0.76  10.0   5.25  97.98) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27   9.09 +/- 0.57   0.016% *  0.1202% (0.92   1.0   0.02   6.22) =   0.000%
          HN    THR   39 - HB2   TRP   27  15.72 +/- 0.32   0.001% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.50 +/- 0.26   0.001% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  11.74 +/- 0.61   0.003% *  0.0176% (0.14   1.0   0.02   6.22) =   0.000%
          HN    ALA   91 - HB2   TRP   27  16.29 +/- 0.64   0.000% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.43 +/- 1.70   0.000% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  18.04 +/- 0.66   0.000% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 5.3, residual support = 46.6:
          HN    ASN   28 - HB2   TRP   27   2.94 +/- 0.15  94.314% * 99.5399% (0.92   5.30  46.61) =  99.996%  kept
          HN    GLU-  25 - HB2   TRP   27   4.75 +/- 0.12   5.551% *  0.0628% (0.15   0.02   0.27) =   0.004%
          HN    ASP-  44 - HB2   TRP   27   9.00 +/- 0.60   0.134% *  0.0713% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  20.06 +/- 0.81   0.001% *  0.3260% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.767, support = 4.37, residual support = 96.6:
      O   HE3   TRP   27 - HB3   TRP   27   2.91 +/- 0.22  91.397% * 85.9453% (0.76  10.0   4.40  97.98) =  98.599%  kept
          HN    THR   23 - HB3   TRP   27   4.53 +/- 0.46   8.142% * 13.7086% (0.98   1.0   2.49   1.88) =   1.401%  kept
          HD2   HIS   22 - HB3   TRP   27   7.24 +/- 0.54   0.443% *  0.0250% (0.22   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  12.95 +/- 0.76   0.013% *  0.1115% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  18.16 +/- 0.80   0.002% *  0.0772% (0.69   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  20.54 +/- 1.59   0.001% *  0.0939% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  18.13 +/- 1.50   0.002% *  0.0384% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.09, residual support = 98.0:
      O   HD1   TRP   27 - HB3   TRP   27   3.63 +/- 0.12  89.202% * 99.7286% (0.98  10.0   4.09  97.98) =  99.989%  kept
          HE21  GLN   30 - HB3   TRP   27   6.37 +/- 1.53  10.781% *  0.0939% (0.92   1.0   0.02   0.02) =   0.011%
          QD    PHE   59 - HB3   TRP   27  16.35 +/- 1.53   0.014% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  21.47 +/- 2.18   0.003% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 5.54, residual support = 98.0:
      O   HN    TRP   27 - HB3   TRP   27   2.94 +/- 0.12  99.800% * 99.5184% (0.76  10.0   5.54  97.98) = 100.000%  kept
          HD1   TRP   87 - HB3   TRP   27   8.86 +/- 0.47   0.146% *  0.1202% (0.92   1.0   0.02   6.22) =   0.000%
          HN    THR   39 - HB3   TRP   27  15.03 +/- 0.32   0.006% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  14.36 +/- 0.23   0.008% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  11.50 +/- 0.48   0.030% *  0.0176% (0.14   1.0   0.02   6.22) =   0.000%
          HN    ALA   91 - HB3   TRP   27  15.71 +/- 0.60   0.005% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  16.90 +/- 1.62   0.003% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  16.34 +/- 0.64   0.004% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 5.77, residual support = 46.6:
          HN    ASN   28 - HB3   TRP   27   4.15 +/- 0.07  99.987% * 99.4715% (0.65   5.77  46.61) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  18.63 +/- 0.85   0.013% *  0.5285% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.47 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.74, residual support = 17.5:
          HN    LEU   31 - HA    ASN   28   3.20 +/- 0.08  99.940% * 95.3309% (0.22   3.74  17.46) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.77 +/- 0.29   0.025% *  2.2435% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  12.16 +/- 0.27   0.033% *  0.4009% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  24.60 +/- 1.16   0.001% *  1.3883% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  21.73 +/- 0.60   0.001% *  0.6364% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 4.53, residual support = 8.29:
          HN    GLN   30 - HA    ASN   28   3.71 +/- 0.08  99.399% * 93.5472% (0.18   4.54   8.29) =  99.996%  kept
          HN    ASN   35 - HA    ASN   28   8.88 +/- 0.30   0.538% *  0.5244% (0.22   0.02   0.02) =   0.003%
          HN    LYS+  99 - HA    ASN   28  13.21 +/- 0.71   0.051% *  2.1745% (0.92   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASN   28  19.21 +/- 1.79   0.006% *  2.0433% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASN   28  19.36 +/- 1.93   0.006% *  1.7105% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.29, residual support = 93.2:
      O   HN    ASN   28 - HB2   ASN   28   2.71 +/- 0.11  99.981% * 99.7686% (0.65  10.0   6.29  93.25) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  11.75 +/- 0.87   0.017% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  16.87 +/- 0.79   0.002% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  21.55 +/- 0.58   0.000% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.59, residual support = 93.2:
      O   HD22  ASN   28 - HB3   ASN   28   3.21 +/- 0.38  99.993% * 99.9746% (0.98  10.0   3.59  93.25) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  16.64 +/- 0.50   0.007% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.24, residual support = 93.2:
      O   HD21  ASN   28 - HB3   ASN   28   3.82 +/- 0.15  97.648% * 99.7595% (0.87  10.0   3.24  93.25) =  99.997%  kept
          HZ2   TRP   87 - HB3   ASN   28   7.67 +/- 0.95   2.330% *  0.1127% (0.98   1.0   0.02   0.02) =   0.003%
          QE    PHE   60 - HB3   ASN   28  16.24 +/- 1.20   0.019% *  0.0790% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  23.10 +/- 0.81   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.25 +/- 1.28   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.507, support = 5.41, residual support = 29.9:
          HN    GLU-  29 - HB3   ASN   28   3.62 +/- 0.11  88.259% * 47.7133% (0.45   5.75  33.00) =  87.589%  kept
          HN    GLN   30 - HB3   ASN   28   5.08 +/- 0.05  11.650% * 51.2195% (0.92   3.00   8.29) =  12.411%  kept
          HN    ASP-  86 - HB3   ASN   28  12.27 +/- 0.75   0.065% *  0.3213% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASN   28  14.77 +/- 0.78   0.021% *  0.2097% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  20.94 +/- 1.96   0.003% *  0.2966% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  21.47 +/- 1.81   0.002% *  0.2396% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 6.06, residual support = 93.2:
      O   HN    ASN   28 - HB3   ASN   28   3.54 +/- 0.02  98.249% * 99.8777% (0.92  10.0   6.06  93.25) = 100.000%  kept
          HN    GLU-  25 - HB3   ASN   28   6.96 +/- 0.13   1.713% *  0.0167% (0.15   1.0   0.02   2.77) =   0.000%
          HN    ASP-  44 - HB3   ASN   28  13.31 +/- 0.55   0.036% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  21.37 +/- 0.59   0.002% *  0.0866% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 8.18:
          HN    GLN   30 - HB2   ASN   28   4.45 +/- 0.05  97.768% *  7.8959% (0.38   0.02   8.29) =  98.688%  kept
          HN    LYS+  99 - HB2   ASN   35  10.54 +/- 0.82   0.648% *  6.5298% (0.31   0.02   0.02) =   0.541%  kept
          HN    GLN   30 - HB2   ASN   35   9.38 +/- 0.82   1.282% *  2.4562% (0.12   0.02   0.02) =   0.403%
          HN    ASP-  86 - HB2   ASN   28  12.93 +/- 0.63   0.172% *  6.4934% (0.31   0.02   0.02) =   0.143%
          HN    LYS+  99 - HB2   ASN   28  16.02 +/- 0.72   0.048% * 20.9915% (1.00   0.02   0.02) =   0.128%
          HN    GLU-  14 - HB2   ASN   28  20.21 +/- 1.95   0.014% * 19.9013% (0.95   0.02   0.02) =   0.036%
          HE1   HIS  122 - HB2   ASN   28  22.05 +/- 1.73   0.008% * 20.9915% (1.00   0.02   0.02) =   0.020%
          HE1   HIS  122 - HB2   ASN   35  18.49 +/- 1.79   0.024% *  6.5298% (0.31   0.02   0.02) =   0.020%
          HN    GLU-  14 - HB2   ASN   35  18.65 +/- 2.10   0.024% *  6.1907% (0.29   0.02   0.02) =   0.019%
          HN    ASP-  86 - HB2   ASN   35  19.64 +/- 1.07   0.014% *  2.0199% (0.10   0.02   0.02) =   0.004%
    Distance limit 3.15 A violated in 20 structures by 1.30 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.51, residual support = 93.2:
      O   HD21  ASN   28 - HB2   ASN   28   3.93 +/- 0.38  98.523% * 99.5979% (0.61  10.0   3.51  93.25) =  99.998%  kept
          HZ2   TRP   87 - HB2   ASN   28   8.70 +/- 0.84   1.250% *  0.1315% (0.80   1.0   0.02   0.02) =   0.002%
          QE    PHE   60 - HB2   ASN   28  16.22 +/- 1.22   0.025% *  0.1516% (0.92   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  13.10 +/- 1.13   0.092% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASN   35  12.73 +/- 1.04   0.096% *  0.0310% (0.19   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  18.03 +/- 1.74   0.014% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 5.39, residual support = 19.5:
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.01  96.948% * 98.9280% (0.49  10.0   5.39  19.50) =  99.999%  kept
          HN    GLN   30 - HA    GLN   32   6.73 +/- 0.16   1.904% *  0.0222% (0.11   1.0   0.02   1.52) =   0.000%
          HN    GLN   30 - HA    LYS+  33   7.54 +/- 0.32   0.983% *  0.0271% (0.13   1.0   0.02   0.17) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.26 +/- 0.69   0.055% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  15.85 +/- 0.65   0.011% *  0.1961% (0.96   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.16 +/- 2.07   0.032% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.57 +/- 1.98   0.008% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.93 +/- 0.50   0.025% *  0.0538% (0.26   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.37 +/- 0.63   0.009% *  0.0836% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  21.53 +/- 1.54   0.002% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.19 +/- 2.08   0.006% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  18.96 +/- 1.60   0.004% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  19.60 +/- 1.75   0.004% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  18.00 +/- 0.63   0.005% *  0.0187% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.26 +/- 0.64   0.002% *  0.0229% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.455, support = 5.27, residual support = 85.4:
      O   HN    GLU-  29 - HB2   GLU-  29   2.42 +/- 0.45  86.621% * 60.3888% (0.41  10.0   5.20  91.98) =  90.895%  kept
          HN    GLN   30 - HB2   GLU-  29   3.38 +/- 0.22  13.375% * 39.1758% (0.90   1.0   5.95  19.50) =   9.105%  kept
          HN    GLU-  14 - HB2   GLU-  29  16.54 +/- 2.00   0.002% *  0.1227% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  16.44 +/- 0.96   0.001% *  0.1227% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  17.52 +/- 0.71   0.001% *  0.0891% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  21.90 +/- 1.47   0.000% *  0.1009% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.501, support = 4.86, residual support = 78.6:
      O   HN    GLU-  29 - HB3   GLU-  29   3.29 +/- 0.46  68.663% * 66.1991% (0.41  10.0   4.92  91.98) =  81.582%  kept
          HN    GLN   30 - HB3   GLU-  29   3.79 +/- 0.25  30.992% * 33.1105% (0.90   1.0   4.59  19.50) =  18.418%  kept
          HN    GLN   30 - QB    GLU-  36   9.10 +/- 0.37   0.187% *  0.0447% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.20 +/- 0.47   0.097% *  0.0205% (0.13   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  16.02 +/- 2.06   0.010% *  0.1345% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  13.92 +/- 2.01   0.020% *  0.0417% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  13.26 +/- 0.56   0.019% *  0.0303% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  17.49 +/- 0.60   0.003% *  0.1345% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  17.50 +/- 0.70   0.004% *  0.0977% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  21.93 +/- 1.47   0.001% *  0.1106% (0.69   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  18.31 +/- 1.53   0.003% *  0.0343% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  20.91 +/- 0.61   0.001% *  0.0417% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.905, support = 4.4, residual support = 91.5:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.87 +/- 0.17  29.739% * 95.1378% (0.99  10.0 10.00   4.41  91.98) =  90.919%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.47 +/- 0.06  70.214% *  4.0244% (0.04  10.0 10.00   4.29  86.74) =   9.080%  kept
        T HG2   GLU-  29 - QB    GLU-  36   9.18 +/- 0.67   0.030% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  10.55 +/- 1.08   0.014% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  15.86 +/- 0.66   0.001% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  18.28 +/- 0.75   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  17.78 +/- 0.93   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  18.83 +/- 0.75   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.55 +/- 0.90   0.001% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  25.13 +/- 0.96   0.000% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.49 +/- 0.54   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  27.91 +/- 2.26   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  23.77 +/- 0.82   0.000% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.56 +/- 0.72   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  27.08 +/- 2.15   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.72 +/- 0.58   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 0.172, residual support = 0.172:
          QD    LYS+  33 - HA    GLN   30   4.14 +/- 1.17  99.822% * 72.5504% (0.95   0.17   0.17) =  99.990%  kept
          HD2   LYS+  74 - HA    GLN   30  14.23 +/- 0.80   0.138% *  3.3498% (0.38   0.02   0.02) =   0.006%
          QB    ALA   57 - HA    GLN   30  18.81 +/- 1.62   0.029% *  6.1310% (0.69   0.02   0.02) =   0.002%
          HB3   LEU  123 - HA    GLN   30  25.31 +/- 2.79   0.006% *  8.4431% (0.95   0.02   0.02) =   0.001%
          HG3   ARG+  54 - HA    GLN   30  26.90 +/- 2.65   0.003% *  3.0445% (0.34   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    GLN   30  30.26 +/- 0.99   0.001% *  6.4812% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 9 structures by 0.76 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 = 0.165, support = 0.0199, residual support = 0.0199:
          QD1   LEU   71 - HA    GLN   30   5.72 +/- 1.69  98.835% *  8.2693% (0.15   0.02   0.02) =  97.102%  kept
          QD2   LEU  123 - HA    GLN   30  21.24 +/- 2.49   0.220% * 48.0646% (0.90   0.02   0.02) =   1.258%  kept
          HB3   LEU  104 - HA    GLN   30  18.63 +/- 0.84   0.386% * 22.0331% (0.41   0.02   0.02) =   1.011%  kept
          QD1   LEU  123 - HA    GLN   30  19.42 +/- 2.48   0.426% *  8.2693% (0.15   0.02   0.02) =   0.418%
          HG3   LYS+ 121 - HA    GLN   30  22.05 +/- 1.40   0.132% * 13.3638% (0.25   0.02   0.02) =   0.210%
    Distance limit 3.91 A violated in 13 structures by 1.80 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 = 6.22, residual support = 157.0:
      O   HN    GLN   30 - HA    GLN   30   2.83 +/- 0.01  97.574% * 99.6773% (0.98  10.0   6.22 157.03) =  99.999%  kept
          HN    GLU-  29 - HA    GLN   30   5.26 +/- 0.02   2.400% *  0.0576% (0.57   1.0   0.02  19.50) =   0.001%
          HN    GLU-  14 - HA    GLN   30  13.50 +/- 1.99   0.015% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  14.17 +/- 0.82   0.007% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  17.36 +/- 0.64   0.002% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  17.85 +/- 1.44   0.002% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 6.32, residual support = 157.0:
      O   HN    GLN   30 - HB2   GLN   30   3.35 +/- 0.42  97.177% * 99.6773% (0.98  10.0   6.32 157.03) =  99.998%  kept
          HN    GLU-  29 - HB2   GLN   30   6.10 +/- 0.48   2.713% *  0.0576% (0.57   1.0   0.02  19.50) =   0.002%
          HN    GLU-  14 - HB2   GLN   30  13.79 +/- 1.99   0.046% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLN   30  12.85 +/- 1.03   0.042% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  15.85 +/- 0.91   0.010% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  15.91 +/- 1.40   0.012% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 6.7, residual support = 157.0:
      O   HN    GLN   30 - HB3   GLN   30   2.36 +/- 0.36  98.821% * 99.4549% (0.65  10.0   6.70 157.03) = 100.000%  kept
          HN    GLU-  29 - HB3   GLN   30   4.96 +/- 0.42   1.164% *  0.0304% (0.20   1.0   0.02  19.50) =   0.000%
          HN    LYS+  99 - HB3   GLN   30  13.25 +/- 0.99   0.006% *  0.1334% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLN   30  14.89 +/- 2.10   0.005% *  0.1524% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  16.79 +/- 1.61   0.002% *  0.1419% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  14.78 +/- 0.76   0.002% *  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 = 155.8:
          HN    GLN   30 - HG2   GLN   30   3.10 +/- 0.39  95.579% * 82.6351% (0.65   7.13 157.03) =  99.112%  kept
          HN    GLU-  29 - HG2   GLN   30   5.17 +/- 0.50   4.377% * 16.1657% (0.20   4.56  19.50) =   0.888%  kept
          HN    GLU-  14 - HG2   GLN   30  13.94 +/- 2.05   0.024% *  0.3550% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  15.18 +/- 0.91   0.009% *  0.3107% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  17.78 +/- 1.66   0.004% *  0.3307% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  15.80 +/- 0.86   0.006% *  0.2028% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.17, residual support = 157.0:
      O   HE21  GLN   30 - HG2   GLN   30   3.72 +/- 0.11  98.350% * 99.6917% (0.87  10.0   4.17 157.03) =  99.998%  kept
          HD1   TRP   27 - HG2   GLN   30   7.54 +/- 0.64   1.639% *  0.1147% (1.00   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HG2   GLN   30  17.69 +/- 1.56   0.010% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  25.66 +/- 2.01   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 2.87, residual support = 157.0:
      O   HE21  GLN   30 - HG3   GLN   30   4.13 +/- 0.06  89.522% * 99.5784% (0.87  10.0   2.87 157.03) =  99.997%  kept
          HD1   TRP   27 - HG3   GLN   30   8.68 +/- 0.94   1.471% *  0.1145% (1.00   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB2   PRO   93   7.38 +/- 1.28   5.823% *  0.0089% (0.08   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   LYS+ 111   9.12 +/- 1.27   1.116% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   PRO   93   9.83 +/- 1.86   1.922% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  17.99 +/- 1.61   0.015% *  0.1145% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  14.68 +/- 2.10   0.095% *  0.0158% (0.14   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  17.71 +/- 0.92   0.015% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  26.66 +/- 2.40   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  18.41 +/- 1.77   0.014% *  0.0078% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.58 +/- 1.38   0.002% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  25.13 +/- 1.68   0.002% *  0.0200% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.45 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.643, support = 6.09, residual support = 155.9:
          HN    GLN   30 - HG3   GLN   30   3.45 +/- 0.32  95.174% * 83.8681% (0.65   6.11 157.03) =  99.179%  kept
          HN    GLU-  29 - HG3   GLN   30   5.70 +/- 0.41   4.645% * 14.2161% (0.20   3.39  19.50) =   0.821%  kept
          HN    GLU-  14 - HG3   GLN   30  13.00 +/- 2.01   0.090% *  0.4203% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   GLN   30  15.08 +/- 1.10   0.019% *  0.3679% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  17.60 +/- 1.77   0.008% *  0.3915% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  16.88 +/- 0.76   0.008% *  0.2401% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  16.73 +/- 2.76   0.013% *  0.0787% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  15.41 +/- 2.45   0.020% *  0.0305% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  16.15 +/- 0.42   0.011% *  0.0187% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  21.04 +/- 1.56   0.002% *  0.0739% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.07 +/- 0.75   0.004% *  0.0287% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  21.86 +/- 1.53   0.002% *  0.0483% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  21.13 +/- 0.92   0.002% *  0.0214% (0.05   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.72 +/- 1.18   0.000% *  0.0551% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  26.37 +/- 1.54   0.001% *  0.0328% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  31.99 +/- 1.25   0.000% *  0.0845% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  22.53 +/- 0.85   0.002% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  29.34 +/- 1.18   0.000% *  0.0169% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.169, support = 5.02, residual support = 44.4:
          HG    LEU   31 - HB3   GLN   30   4.25 +/- 0.45  52.372% * 73.9768% (0.15  1.00   5.82  51.98) =  84.089%  kept
          QD2   LEU   73 - HB3   GLN   30   4.35 +/- 0.77  47.609% * 15.3961% (0.25  1.00   0.75   4.22) =  15.909%  kept
        T QD1   ILE   56 - HB3   GLN   30  17.76 +/- 1.75   0.011% *  8.0145% (0.49 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HB3   GLN   30  20.65 +/- 1.39   0.004% *  1.6139% (0.98  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HB3   GLN   30  20.44 +/- 2.38   0.004% *  0.9987% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.68, residual support = 4.22:
          QD1   LEU   73 - HB3   GLN   30   2.73 +/- 0.52  99.247% * 96.3471% (0.87   2.68   4.22) =  99.995%  kept
          QD2   LEU   80 - HB3   GLN   30   7.94 +/- 1.08   0.391% *  0.8205% (0.99   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB3   GLN   30   8.09 +/- 0.69   0.310% *  0.3403% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   GLN   30  13.41 +/- 1.91   0.020% *  0.7180% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   GLN   30  13.52 +/- 1.14   0.012% *  0.7180% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  13.74 +/- 1.90   0.016% *  0.2302% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  17.36 +/- 1.57   0.003% *  0.8259% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.746, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  19.64 +/- 2.42  28.053% * 54.6388% (0.97   0.02   0.02) =  54.823%  kept
          HG3   LYS+ 121 - HB2   GLN   30  20.03 +/- 1.39  22.754% * 36.6255% (0.65   0.02   0.02) =  29.807%  kept
          QD1   ILE   56 - HB2   GLN   30  17.58 +/- 1.84  49.193% *  8.7356% (0.15   0.02   0.02) =  15.370%  kept
    Distance limit 3.42 A violated in 20 structures by 12.01 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.32, residual support = 4.22:
          QD1   LEU   73 - HB2   GLN   30   2.66 +/- 0.68  99.519% * 92.8494% (0.87   1.32   4.22) =  99.994%  kept
          QD2   LEU   80 - HB2   GLN   30   8.89 +/- 1.12   0.159% *  1.6060% (0.99   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB2   GLN   30   9.08 +/- 0.85   0.186% *  0.6662% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   GLN   30  12.87 +/- 1.83   0.056% *  1.4056% (0.87   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   GLN   30  13.03 +/- 1.20   0.027% *  1.4056% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   GLN   30  13.07 +/- 1.87   0.049% *  0.4505% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  17.05 +/- 1.50   0.004% *  1.6168% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 1 structures by 0.05 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.79, residual support = 157.0:
      O T HA    GLN   30 - HG3   GLN   30   2.47 +/- 0.52  97.283% * 98.6729% (0.65  10.0 10.00   4.79 157.03) = 100.000%  kept
          HB    THR   39 - HG3   GLN   30   9.23 +/- 1.04   0.100% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   PRO   93   9.69 +/- 1.75   0.075% *  0.0863% (0.06   1.0 10.00   0.02   0.53) =   0.000%
          HB2   CYS   53 - HB2   PRO   93   6.68 +/- 2.19   2.070% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30  10.00 +/- 0.88   0.037% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   8.52 +/- 1.21   0.129% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  14.01 +/- 2.07   0.006% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93   9.41 +/- 2.51   0.218% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  15.42 +/- 1.18   0.004% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93   9.48 +/- 0.32   0.059% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  19.28 +/- 1.09   0.001% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  14.97 +/- 1.37   0.005% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  15.24 +/- 1.24   0.004% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  21.93 +/- 1.10   0.000% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.40 +/- 1.17   0.005% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  21.27 +/- 1.50   0.001% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  21.24 +/- 1.15   0.001% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  25.92 +/- 1.23   0.000% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  28.25 +/- 1.26   0.000% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  19.35 +/- 0.71   0.001% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  26.12 +/- 1.33   0.000% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.89 +/- 0.65   0.000% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  26.09 +/- 1.47   0.000% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  25.55 +/- 1.64   0.000% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  25.79 +/- 1.10   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  30.30 +/- 1.59   0.000% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  30.24 +/- 1.69   0.000% *  0.0186% (0.12   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 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.43, residual support = 16.5:
          HZ2   TRP   27 - QD1   LEU   31   2.82 +/- 0.56  99.970% * 99.7523% (0.87   1.43  16.52) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  12.58 +/- 0.87   0.030% *  0.2477% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.796, support = 0.694, residual support = 5.17:
          HZ2   TRP   87 - QD1   LEU   31   4.09 +/- 0.39  74.592% * 54.3627% (0.76   0.75   2.05) =  79.724%  kept
          HD21  ASN   28 - QD1   LEU   31   5.04 +/- 0.37  24.826% * 41.5303% (0.92   0.47  17.46) =  20.270%  kept
          HN    ALA   84 - QD1   LEU   31  10.37 +/- 0.42   0.279% *  0.5274% (0.28   0.02   0.02) =   0.003%
          QE    PHE   60 - QD1   LEU   31  10.96 +/- 1.35   0.263% *  0.3754% (0.20   0.02   0.02) =   0.002%
          HN    LEU   63 - QD1   LEU   31  15.81 +/- 0.83   0.022% *  1.4497% (0.76   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU   31  19.11 +/- 1.23   0.008% *  1.2271% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  18.24 +/- 0.99   0.010% *  0.5274% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  10.94 +/- 0.39  42.581% * 52.6698% (0.97   0.02   0.02) =  67.500%  kept
          HN    ASP- 105 - QD1   LEU   31  10.45 +/- 0.77  56.342% * 18.6164% (0.34   0.02   0.02) =  31.569%  kept
          HN    PHE   55 - QD1   LEU   31  20.44 +/- 1.14   1.077% * 28.7138% (0.53   0.02   0.02) =   0.931%  kept
    Distance limit 4.15 A violated in 20 structures by 5.30 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.69, residual support = 232.8:
          HN    LEU   31 - HG    LEU   31   2.58 +/- 0.47  99.954% * 99.1408% (0.67   7.69 232.78) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.72 +/- 0.63   0.045% *  0.1996% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  19.92 +/- 1.00   0.001% *  0.2767% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  23.95 +/- 1.32   0.000% *  0.3059% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  24.60 +/- 1.47   0.000% *  0.0769% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.15, residual support = 232.8:
      O   HN    LEU   31 - HB3   LEU   31   3.54 +/- 0.02  99.570% * 99.3670% (0.34  10.0   7.15 232.78) =  99.999%  kept
          HN    LYS+  38 - HB3   LEU   31   8.82 +/- 0.35   0.427% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HB3   LEU   31  21.21 +/- 0.78   0.002% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  25.97 +/- 1.26   0.001% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.768, support = 5.67, residual support = 43.0:
          HN    GLN   32 - HB3   LEU   31   3.82 +/- 0.21  80.386% * 80.0407% (0.76   5.92  45.30) =  94.425%  kept
          HN    ALA   34 - HB3   LEU   31   4.93 +/- 0.27  19.584% * 19.3976% (0.84   1.31   4.76) =   5.575%  kept
          HN    LEU   80 - HB3   LEU   31  16.07 +/- 0.48   0.015% *  0.2568% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  16.29 +/- 0.57   0.014% *  0.1327% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  25.07 +/- 1.10   0.001% *  0.1722% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.56, residual support = 17.5:
        T HA    ASN   28 - HB2   LEU   31   3.38 +/- 0.25  98.111% * 98.0556% (0.73 10.00   2.56  17.46) =  99.988%  kept
        T HA    ALA   34 - HB2   LEU   31   7.66 +/- 0.25   0.806% *  1.2110% (0.90 10.00   0.02   4.76) =   0.010%
          HA1   GLY  101 - HB2   LEU   31  10.05 +/- 3.00   0.651% *  0.1338% (0.99  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB2   LEU   31   8.42 +/- 0.28   0.428% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   LEU   31  22.07 +/- 0.91   0.001% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  26.24 +/- 3.19   0.001% *  0.2084% (0.15 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  25.25 +/- 0.95   0.001% *  0.1338% (0.99  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  25.89 +/- 2.11   0.001% *  0.0301% (0.22  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  23.88 +/- 1.01   0.001% *  0.0208% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 7.15, residual support = 232.8:
      O   HN    LEU   31 - HB2   LEU   31   2.55 +/- 0.13  99.964% * 99.3670% (0.34  10.0   7.15 232.78) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.71 +/- 0.30   0.036% *  0.2907% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  21.94 +/- 0.70   0.000% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  26.23 +/- 1.24   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.761, support = 5.89, residual support = 45.1:
          HN    GLN   32 - HB2   LEU   31   2.70 +/- 0.17  98.067% * 80.0402% (0.76   5.92  45.30) =  99.526%  kept
          HN    ALA   34 - HB2   LEU   31   5.29 +/- 0.18   1.927% * 19.3981% (0.84   1.31   4.76) =   0.474%
          HN    LEU   80 - HB2   LEU   31  15.24 +/- 0.53   0.003% *  0.2568% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  15.87 +/- 0.59   0.003% *  0.1327% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  25.31 +/- 0.91   0.000% *  0.1722% (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 = 7.15, residual support = 232.8:
      O   HN    LEU   31 - HA    LEU   31   2.80 +/- 0.04  99.774% * 99.3670% (0.34  10.0   7.15 232.78) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   7.79 +/- 0.32   0.225% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  19.76 +/- 0.74   0.001% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  25.34 +/- 1.27   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.778, support = 5.08, residual support = 37.2:
      O   HN    GLN   32 - HA    LEU   31   3.60 +/- 0.03  27.544% * 91.1145% (0.76  10.0   5.92  45.30) =  79.933%  kept
          HN    ALA   34 - HA    LEU   31   3.06 +/- 0.21  72.450% *  8.6961% (0.84   1.0   1.75   4.76) =  20.067%  kept
          HN    LEU   80 - HA    LEU   31  16.10 +/- 0.57   0.004% *  0.0866% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  17.38 +/- 0.62   0.002% *  0.0447% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.63 +/- 1.00   0.000% *  0.0580% (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 = 0.525, support = 0.02, residual support = 1.17:
          QD1   LEU   73 - HA    LEU   31   5.06 +/- 0.91  93.116% * 10.4319% (0.49   0.02   1.31) =  89.031%  kept
          QG1   VAL   83 - HA    LEU   31   9.64 +/- 0.60   2.920% * 17.1611% (0.80   0.02   0.02) =   4.593%  kept
          QD1   LEU  104 - HA    LEU   31  10.89 +/- 0.95   1.687% * 21.2420% (0.99   0.02   0.02) =   3.285%  kept
          QD2   LEU   80 - HA    LEU   31  10.74 +/- 0.97   1.372% * 18.5904% (0.87   0.02   0.02) =   2.338%  kept
          QD1   LEU   63 - HA    LEU   31  13.61 +/- 1.78   0.542% * 10.4319% (0.49   0.02   0.02) =   0.518%  kept
          QD2   LEU  115 - HA    LEU   31  17.67 +/- 1.64   0.075% * 17.9012% (0.84   0.02   0.02) =   0.123%
          QG2   ILE   89 - HA    LEU   31  14.01 +/- 0.42   0.288% *  4.2413% (0.20   0.02   0.02) =   0.112%
    Distance limit 3.72 A violated in 16 structures by 1.31 A, eliminated.
    Peak unassigned.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 3.12, residual support = 15.5:
          HD1   TRP   87 - QG2   VAL   83   2.74 +/- 0.86  96.851% * 95.5569% (0.53   3.12  15.47) =  99.970%  kept
          HN    TRP   27 - QG2   VAL   83   6.74 +/- 0.47   1.694% *  1.1656% (1.00   0.02   3.93) =   0.021%
          HE3   TRP   87 - QG2   VAL   83   6.44 +/- 0.65   1.256% *  0.5226% (0.45   0.02  15.47) =   0.007%
          HN    ALA   91 - QG2   VAL   83   8.81 +/- 0.87   0.171% *  0.9736% (0.84   0.02   0.02) =   0.002%
          HN    ALA   61 - QG2   VAL   83  14.72 +/- 0.63   0.010% *  0.8908% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   VAL   83  15.94 +/- 0.68   0.008% *  0.6599% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  15.59 +/- 0.79   0.010% *  0.2307% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 1 structures by 0.17 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  14.98 +/- 0.95 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.09 A violated in 20 structures by 11.90 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.551, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QG2   VAL   42   8.29 +/- 1.46  43.786% * 30.1124% (0.67   0.02   0.02) =  57.040%  kept
          QD    PHE   59 - QG2   VAL   42   7.87 +/- 1.11  50.483% * 17.5479% (0.39   0.02   0.02) =  38.324%  kept
          HD1   TRP   27 - QG2   VAL   42  11.52 +/- 0.76   5.348% * 17.5479% (0.39   0.02   0.02) =   4.060%  kept
          HH2   TRP   49 - QG2   VAL   42  18.78 +/- 1.89   0.383% * 34.7918% (0.77   0.02   0.02) =   0.576%  kept
    Distance limit 3.27 A violated in 20 structures by 3.56 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.79, support = 0.323, residual support = 1.18:
          QD2   LEU   40 - QG2   VAL   42   3.49 +/- 0.91  56.835% * 65.1588% (0.79  1.00   0.34   1.23) =  96.021%  kept
          QD1   LEU   67 - QG2   VAL   42   4.60 +/- 1.58  34.631% *  3.9117% (0.80  1.00   0.02   0.02) =   3.512%  kept
          QD2   LEU   71 - QG2   VAL   42   5.94 +/- 0.69   3.682% *  1.9083% (0.39  1.00   0.02   5.43) =   0.182%
        T HB    VAL   75 - QG2   VAL   42   9.75 +/- 0.88   0.193% * 19.0827% (0.39 10.00   0.02   0.02) =   0.095%
          QG2   ILE  103 - QG2   VAL   42   7.24 +/- 0.99   0.812% *  3.8857% (0.79  1.00   0.02   0.02) =   0.082%
          QG2   ILE  119 - QG2   VAL   42   6.73 +/- 1.36   3.244% *  0.8728% (0.18  1.00   0.02   0.02) =   0.073%
          HG3   LYS+  74 - QG2   VAL   42  10.44 +/- 1.11   0.189% *  3.7086% (0.76  1.00   0.02   0.02) =   0.018%
          QD1   ILE  103 - QG2   VAL   42   7.94 +/- 0.71   0.413% *  1.4714% (0.30  1.00   0.02   0.02) =   0.016%
    Distance limit 2.99 A violated in 1 structures by 0.27 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 = 0.95, support = 3.83, residual support = 16.1:
        T HZ2   TRP   27 - QD2   LEU   31   3.79 +/- 0.75  43.723% * 96.5430% (0.99 10.00   3.96  16.52) =  95.594%  kept
        T HZ2   TRP   27 - QG2   VAL   43   3.53 +/- 0.77  56.277% *  3.4570% (0.07 10.00   1.06   7.22) =   4.406%  kept
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 52.0:
          HE22  GLN   30 - QD2   LEU   31   3.99 +/- 0.21  90.105% * 99.1221% (0.90   3.20  51.98) =  99.995%  kept
          HE22  GLN   30 - QG2   VAL   43   6.22 +/- 1.13   9.704% *  0.0419% (0.06   0.02   0.02) =   0.005%
          HD22  ASN   69 - QD2   LEU   31  13.44 +/- 1.40   0.077% *  0.4468% (0.65   0.02   0.02) =   0.000%
          HN    TRP   49 - QD2   LEU   31  18.57 +/- 0.56   0.009% *  0.3362% (0.49   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  14.41 +/- 1.05   0.046% *  0.0302% (0.04   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  13.77 +/- 0.56   0.058% *  0.0228% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 61.0:
      O T HA    VAL   43 - QG2   VAL   43   2.26 +/- 0.14  99.414% * 99.3737% (0.50  10.0 10.00   3.00  60.98) =  99.998%  kept
        T HA    VAL   43 - QD2   LEU   31   5.77 +/- 0.74   0.477% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QG2   VAL   43   7.75 +/- 0.73   0.084% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31   9.68 +/- 0.51   0.019% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  14.01 +/- 0.52   0.002% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  12.69 +/- 1.24   0.004% *  0.0371% (0.19   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 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.197, support = 2.52, residual support = 15.1:
        T HZ3   TRP   27 - QD2   LEU   31   3.03 +/- 1.62  64.894% * 75.1127% (0.14 10.00   2.64  16.52) =  84.800%  kept
          HZ3   TRP   27 - QG2   VAL   43   3.02 +/- 0.75  35.106% * 24.8873% (0.50  1.00   1.90   7.22) =  15.200%  kept
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.915, support = 4.19, residual support = 43.9:
          HN    GLN   32 - QG    GLN   32   3.43 +/- 0.62  93.521% * 85.2351% (0.92   4.20  44.38) =  98.862%  kept
          HN    ALA   34 - QG    GLN   32   5.70 +/- 0.22   6.465% * 14.1958% (0.22   2.90   0.12) =   1.138%  kept
          HN    SER   85 - QG    GLN   32  18.30 +/- 1.19   0.005% *  0.4243% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  17.20 +/- 1.25   0.007% *  0.0678% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  21.14 +/- 0.93   0.002% *  0.0770% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 4.2, residual support = 44.4:
      O   HN    GLN   32 - QB    GLN   32   2.14 +/- 0.11  99.258% * 99.8359% (0.92  10.0   4.20  44.38) = 100.000%  kept
          HN    ALA   34 - QB    GLN   32   4.88 +/- 0.11   0.741% *  0.0241% (0.22   1.0   0.02   0.12) =   0.000%
          HN    SER   85 - QB    GLN   32  17.58 +/- 0.67   0.000% *  0.1044% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  15.93 +/- 0.54   0.001% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.15 +/- 0.61   0.000% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.217, support = 5.74, residual support = 65.9:
      O   HN    GLU-  29 - HA    GLU-  29   2.70 +/- 0.01  81.494% * 27.4129% (0.14  10.0   5.94  91.98) =  63.950%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.01  17.707% * 71.1184% (0.36  10.0   5.39  19.50) =  36.048%  kept
          HN    GLN   30 - HA    GLN   32   6.73 +/- 0.16   0.348% *  0.1093% (0.55   1.0   0.02   1.52) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.54 +/- 0.32   0.179% *  0.1125% (0.57   1.0   0.02   0.17) =   0.001%
          HN    GLU-  29 - HA    GLN   32   7.50 +/- 0.23   0.182% *  0.0421% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    LYS+  33   9.10 +/- 0.46   0.059% *  0.0433% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.26 +/- 0.69   0.010% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.16 +/- 2.07   0.006% *  0.1296% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.93 +/- 0.50   0.004% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.19 +/- 2.08   0.001% *  0.1260% (0.63   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  15.85 +/- 0.65   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.57 +/- 1.98   0.001% *  0.0820% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.37 +/- 0.63   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  18.00 +/- 0.63   0.001% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  18.96 +/- 1.60   0.001% *  0.1125% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  19.60 +/- 1.75   0.001% *  0.1093% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.26 +/- 0.64   0.000% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  21.53 +/- 1.54   0.000% *  0.0711% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 4.14, residual support = 44.3:
      O   HN    GLN   32 - HA    GLN   32   2.73 +/- 0.02  78.995% * 98.5782% (0.39  10.0   4.15  44.38) =  99.850%  kept
          HN    GLN   32 - HA    GLU-  29   3.45 +/- 0.14  19.504% *  0.5905% (0.25   1.0   0.18   0.02) =   0.148%
          HN    GLN   32 - HA    LYS+  33   5.28 +/- 0.05   1.498% *  0.1014% (0.40   1.0   0.02  11.65) =   0.002%
          HN    SER   85 - HA    GLU-  29  17.72 +/- 0.59   0.001% *  0.1046% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  19.84 +/- 0.60   0.001% *  0.1607% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  22.84 +/- 0.65   0.000% *  0.1654% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  22.10 +/- 0.59   0.000% *  0.0848% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  21.23 +/- 0.57   0.000% *  0.0552% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.31 +/- 0.61   0.000% *  0.0872% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  17.88 +/- 0.50   0.001% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  21.52 +/- 0.48   0.000% *  0.0269% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  22.82 +/- 0.60   0.000% *  0.0276% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.654, support = 5.51, residual support = 142.8:
      O   HN    LYS+  33 - HA    LYS+  33   2.85 +/- 0.02  75.447% * 79.3011% (0.69  10.0   5.60 151.95) =  93.470%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.55 +/- 0.02  20.490% * 20.3940% (0.18  10.0   4.23  11.65) =   6.528%  kept
          HN    LYS+  33 - HA    GLU-  29   4.81 +/- 0.49   4.045% *  0.0221% (0.19   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    LYS+  33  15.44 +/- 0.56   0.003% *  0.1035% (0.90   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLU-  29  12.68 +/- 0.43   0.010% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  15.89 +/- 0.44   0.003% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  24.63 +/- 1.28   0.000% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  23.00 +/- 0.39   0.000% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  19.17 +/- 0.64   0.001% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  20.24 +/- 0.53   0.001% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  24.60 +/- 1.26   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  25.90 +/- 1.08   0.000% *  0.0145% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2487 (7.29, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.426, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - QB    LYS+  33   8.70 +/- 1.49  89.820% *  5.4417% (0.14   0.02   0.02) =  59.850%  kept
          QD    PHE   60 - QB    LYS+  33  14.62 +/- 1.19   6.363% * 37.1179% (0.92   0.02   0.02) =  28.920%  kept
          HN    LYS+  66 - QB    LYS+  33  16.97 +/- 1.05   2.746% * 18.0271% (0.45   0.02   0.02) =   6.060%  kept
          HN    LYS+  81 - QB    LYS+  33  18.80 +/- 0.85   1.071% * 39.4132% (0.98   0.02   0.02) =   5.170%  kept
    Distance limit 3.59 A violated in 20 structures by 4.90 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.76, residual support = 152.0:
      O   HN    LYS+  33 - QB    LYS+  33   2.24 +/- 0.28  99.994% * 99.9232% (0.97  10.0   5.76 151.95) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  11.74 +/- 0.55   0.006% *  0.0586% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  20.97 +/- 1.14   0.000% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 0.912, support = 5.85, residual support = 44.1:
          HN    ALA   34 - QB    LYS+  33   2.97 +/- 0.23  91.995% * 67.8929% (0.92   5.93  45.46) =  96.101%  kept
          HN    GLN   32 - QB    LYS+  33   4.63 +/- 0.31   7.999% * 31.6802% (0.65   3.95  11.65) =   3.899%  kept
          HN    LEU   80 - QB    LYS+  33  16.61 +/- 0.94   0.004% *  0.2073% (0.84   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  19.41 +/- 0.75   0.001% *  0.0690% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  24.79 +/- 0.98   0.000% *  0.1505% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33  10.90 +/- 2.09  79.282% *  8.4971% (0.20   0.02   0.02) =  54.029%  kept
          HN    ILE  103 - QB    LYS+  33  15.48 +/- 0.69  13.479% * 24.3087% (0.57   0.02   0.02) =  26.279%  kept
          HN    SER   82 - QB    LYS+  33  18.30 +/- 0.92   5.091% * 34.3809% (0.80   0.02   0.02) =  14.037%  kept
          HN    GLN   90 - QB    LYS+  33  21.21 +/- 0.86   2.149% * 32.8133% (0.76   0.02   0.02) =   5.655%  kept
    Distance limit 3.79 A violated in 20 structures by 6.61 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.526, support = 5.39, residual support = 151.9:
      O   HA    LYS+  33 - HG2   LYS+  33   3.69 +/- 0.39  81.744% * 98.3393% (0.53  10.0   5.39 151.95) =  99.978%  kept
          HB2   SER   37 - HG2   LYS+  33   6.26 +/- 1.38   8.728% *  0.1561% (0.84   1.0   0.02   0.02) =   0.017%
          HA    GLU-  29 - HG2   LYS+  33   7.15 +/- 1.24   2.308% *  0.0702% (0.38   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - QG    LYS+  81   5.75 +/- 0.21   6.439% *  0.0249% (0.13   1.0   0.02  12.65) =   0.002%
          HA    VAL   70 - HG2   LYS+  33   9.81 +/- 1.78   0.460% *  0.1561% (0.84   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HG2   LYS+  33  13.11 +/- 2.79   0.144% *  0.0910% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+  33  12.35 +/- 1.44   0.089% *  0.0638% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  14.30 +/- 0.97   0.029% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  16.60 +/- 0.83   0.012% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  17.05 +/- 0.58   0.010% *  0.0336% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  21.26 +/- 0.88   0.003% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  17.88 +/- 0.58   0.007% *  0.0305% (0.16   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  18.69 +/- 0.73   0.005% *  0.0387% (0.21   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  24.48 +/- 1.94   0.001% *  0.1561% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  20.22 +/- 1.45   0.004% *  0.0520% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  21.73 +/- 0.61   0.002% *  0.0596% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  19.72 +/- 1.30   0.004% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  21.88 +/- 1.32   0.002% *  0.0552% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  22.91 +/- 0.36   0.002% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.09 +/- 0.74   0.003% *  0.0425% (0.23   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  23.54 +/- 1.14   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  22.04 +/- 0.75   0.002% *  0.0471% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.03 +/- 0.66   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  23.90 +/- 0.77   0.001% *  0.0436% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.93, residual support = 124.1:
        T QD1   ILE   56 - QG2   ILE   56   2.64 +/- 0.55  99.903% * 99.6085% (0.98 10.00   4.93 124.14) = 100.000%  kept
          QD2   LEU   73 - QG2   ILE   56  11.38 +/- 1.77   0.050% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG2   ILE   56  14.50 +/- 1.65   0.010% *  0.1568% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   ILE   56  13.74 +/- 0.88   0.009% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  11.33 +/- 1.34   0.025% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  17.72 +/- 2.53   0.003% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.99, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   3.77 +/- 1.41  98.206% * 49.9558% (0.99 10.00   0.02   0.02) =  99.901%  kept
        T HA    ILE   19 - QG2   ILE   56  14.51 +/- 2.07   0.064% * 42.0992% (0.84 10.00   0.02   0.02) =   0.055%
          HA    GLU- 114 - QG2   ILE   56   9.70 +/- 0.84   1.704% *  1.2568% (0.25  1.00   0.02   0.02) =   0.044%
          HA    THR   26 - QG2   ILE   56  20.00 +/- 2.39   0.010% *  2.8535% (0.57  1.00   0.02   0.02) =   0.001%
          HA    GLU-  25 - QG2   ILE   56  21.05 +/- 2.33   0.007% *  3.0570% (0.61  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   ILE   56  20.80 +/- 2.20   0.009% *  0.7777% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 9 structures by 0.98 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 = 0.886, support = 3.72, residual support = 17.8:
          HA    PHE   55 - QG2   ILE   56   4.83 +/- 0.80  40.707% * 87.9322% (0.92   4.19  19.97) =  86.457%  kept
          HA    ALA  110 - QG2   ILE   56   5.81 +/- 3.05  50.717% * 11.0387% (0.65   0.75   3.59) =  13.522%  kept
          HA    THR   46 - QG2   ILE   56   6.58 +/- 2.05   8.297% *  0.0901% (0.20   0.02   0.02) =   0.018%
          HA    GLN   90 - QG2   ILE   56  11.74 +/- 1.93   0.135% *  0.3478% (0.76   0.02   0.02) =   0.001%
          HA    VAL   42 - QG2   ILE   56  12.13 +/- 1.94   0.099% *  0.3644% (0.80   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   ILE   56  13.43 +/- 1.06   0.044% *  0.1135% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  23.92 +/- 1.92   0.001% *  0.1135% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 1 structures by 0.42 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  10.99 +/- 0.77 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 2.91 A violated in 20 structures by 8.09 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.33, residual support = 33.4:
          HN    ALA   57 - QG2   ILE   56   3.37 +/- 0.80  90.008% * 99.1190% (0.92   5.34  33.45) =  99.961%  kept
          HE21  GLN  116 - QG2   ILE   56   8.65 +/- 2.82   9.696% *  0.3490% (0.87   0.02   0.02) =   0.038%
          HN    ALA  120 - QG2   ILE   56  10.20 +/- 1.21   0.273% *  0.1959% (0.49   0.02   0.02) =   0.001%
          HE21  GLN   90 - QG2   ILE   56  14.77 +/- 2.23   0.023% *  0.3361% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 3 structures by 0.30 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.69, residual support = 124.1:
          HN    ILE   56 - QG2   ILE   56   2.70 +/- 0.49  87.898% * 98.5403% (0.65   6.69 124.14) =  99.986%  kept
          QE    PHE   60 - QG2   ILE   56   6.24 +/- 2.48  11.026% *  0.0901% (0.20   0.02   3.84) =   0.011%
          HN    LYS+ 111 - QG2   ILE   56   6.86 +/- 1.77   0.891% *  0.1266% (0.28   0.02   2.10) =   0.001%
          HN    LEU   63 - QG2   ILE   56   8.16 +/- 0.63   0.177% *  0.3480% (0.76   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QG2   ILE   56  15.75 +/- 2.58   0.003% *  0.3480% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  15.08 +/- 2.34   0.004% *  0.1266% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  18.33 +/- 2.23   0.001% *  0.4203% (0.92   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.802, support = 2.87, residual support = 9.31:
        T HB    THR   39 - QB    ALA   34   3.10 +/- 0.57  85.701% * 95.5074% (0.80 10.00   2.88   9.34) =  99.685%  kept
          HA    GLN   30 - QB    ALA   34   5.23 +/- 0.53   6.292% *  4.0093% (0.44  1.00   1.55   0.47) =   0.307%
          HB3   SER   37 - QB    ALA   34   5.03 +/- 0.48   7.955% *  0.0814% (0.69  1.00   0.02   0.02) =   0.008%
          QB    SER   13 - QB    ALA   34  12.93 +/- 1.92   0.032% *  0.0983% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  15.41 +/- 0.78   0.007% *  0.1056% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  16.68 +/- 0.29   0.004% *  0.0814% (0.69  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  15.47 +/- 0.73   0.007% *  0.0400% (0.34  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  23.81 +/- 0.77   0.001% *  0.0603% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  19.92 +/- 0.91   0.002% *  0.0164% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 0.75, residual support = 4.76:
          HA    LEU   31 - QB    ALA   34   2.35 +/- 0.27 100.000% *100.0000% (0.65   0.75   4.76) = 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 = 9.39:
        T QG1   VAL   41 - QB    ALA   34   2.17 +/- 0.30  97.887% * 90.6339% (0.75 10.00   2.96   9.40) =  99.882%  kept
          HG    LEU   31 - QB    ALA   34   4.91 +/- 0.60   1.278% *  8.1586% (0.83  1.00   1.63   4.76) =   0.117%
          QD2   LEU   73 - QB    ALA   34   5.74 +/- 0.71   0.489% *  0.0869% (0.72  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QB    ALA   34   5.88 +/- 0.36   0.330% *  0.0702% (0.58  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QB    ALA   34  10.43 +/- 0.69   0.012% *  0.4461% (0.37 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  15.65 +/- 1.37   0.001% *  0.5709% (0.47 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  13.48 +/- 0.52   0.002% *  0.0335% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.31, residual support = 18.8:
          HN    ASN   35 - QB    ALA   34   2.94 +/- 0.05  99.919% * 98.6006% (0.62   3.31  18.75) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34   9.88 +/- 0.50   0.074% *  0.2674% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  16.12 +/- 2.36   0.006% *  0.8645% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  19.04 +/- 0.73   0.001% *  0.2674% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 3.77, residual support = 25.9:
      O   HN    ALA   34 - QB    ALA   34   2.01 +/- 0.08  99.996% * 99.6936% (0.58  10.0   3.77  25.88) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  11.20 +/- 0.28   0.004% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  15.55 +/- 0.43   0.000% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  21.34 +/- 0.77   0.000% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 3.58, residual support = 25.9:
      O   HN    ALA   34 - HA    ALA   34   2.77 +/- 0.02  99.610% * 99.6949% (0.87  10.0   3.58  25.88) = 100.000%  kept
          HN    GLN   32 - HA    ALA   34   6.99 +/- 0.10   0.389% *  0.0287% (0.25   1.0   0.02   0.12) =   0.000%
          HN    LEU   80 - HA    ALA   34  20.36 +/- 0.60   0.001% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  27.21 +/- 0.96   0.000% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  23.52 +/- 3.59   0.000% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  27.66 +/- 1.04   0.000% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  27.11 +/- 3.37   0.000% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  32.72 +/- 2.08   0.000% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.877, support = 2.95, residual support = 9.32:
          HB    THR   39 - HA    ALA   34   2.73 +/- 0.56  75.113% * 95.9058% (0.88   2.96   9.34) =  99.776%  kept
          HB3   SER   37 - HA    ALA   34   3.57 +/- 0.58  24.436% *  0.6603% (0.89   0.02   0.02) =   0.223%
          HA    GLN   30 - HA    ALA   34   6.82 +/- 0.64   0.434% *  0.1159% (0.16   0.02   0.47) =   0.001%
          QB    SER   13 - HA    ALA   34  14.06 +/- 2.54   0.008% *  0.6386% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  14.36 +/- 0.47   0.004% *  0.1161% (0.16   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  19.00 +/- 4.01   0.002% *  0.1489% (0.20   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  20.03 +/- 0.87   0.000% *  0.5057% (0.69   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  20.54 +/- 0.99   0.000% *  0.4805% (0.65   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  22.27 +/- 0.32   0.000% *  0.6603% (0.89   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  22.21 +/- 4.25   0.001% *  0.1516% (0.21   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  22.35 +/- 3.07   0.000% *  0.1466% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  28.03 +/- 1.14   0.000% *  0.1516% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  30.25 +/- 0.91   0.000% *  0.1473% (0.20   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  26.13 +/- 3.21   0.000% *  0.0266% (0.04   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  34.53 +/- 2.05   0.000% *  0.1103% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  30.74 +/- 1.24   0.000% *  0.0338% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.03, residual support = 55.5:
      O T HA    ASN   35 - HB2   ASN   35   2.75 +/- 0.05  99.832% * 97.5620% (0.90  10.0 10.00   4.03  55.46) =  99.999%  kept
        T HA    LEU   40 - HB2   ASN   35   9.32 +/- 0.59   0.072% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB2   ASN   35   9.54 +/- 1.05   0.073% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  12.71 +/- 0.34   0.011% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  17.24 +/- 1.84   0.002% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  15.40 +/- 0.38   0.003% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  18.19 +/- 1.39   0.001% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  15.94 +/- 1.02   0.003% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  19.62 +/- 2.59   0.001% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  23.89 +/- 2.95   0.000% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  21.54 +/- 2.57   0.001% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  29.00 +/- 1.86   0.000% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  27.24 +/- 0.89   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  26.91 +/- 1.65   0.000% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  28.32 +/- 2.67   0.000% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  25.65 +/- 0.97   0.000% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  30.89 +/- 0.90   0.000% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  31.43 +/- 0.86   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 = 5.87, residual support = 55.5:
      O   HN    ASN   35 - HB2   ASN   35   2.51 +/- 0.53  99.922% * 99.6071% (0.57  10.0   5.87  55.46) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  10.54 +/- 0.82   0.030% *  0.0996% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.35 +/- 0.32   0.041% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  18.49 +/- 1.79   0.001% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  16.02 +/- 0.72   0.003% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  18.65 +/- 2.10   0.001% *  0.0600% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.05 +/- 1.73   0.001% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  21.65 +/- 3.21   0.001% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  20.21 +/- 1.95   0.001% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  23.93 +/- 3.00   0.000% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.6, residual support = 55.5:
      O   HD21  ASN   35 - HB2   ASN   35   2.42 +/- 0.26  99.975% * 99.7208% (1.00  10.0   3.60  55.46) = 100.000%  kept
          HD21  ASN   35 - HB2   ASN   28  10.58 +/- 0.76   0.019% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   28  13.12 +/- 0.32   0.005% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  20.08 +/- 1.13   0.000% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  20.02 +/- 0.94   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  20.05 +/- 2.06   0.000% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  24.18 +/- 1.59   0.000% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  30.81 +/- 1.86   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  22.55 +/- 0.62   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  26.76 +/- 1.79   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.941, support = 2.27, residual support = 7.67:
        T HA    GLN   32 - HB2   ASN   35   3.36 +/- 0.67  65.003% * 74.2738% (0.99 10.00   2.15   6.43) =  94.217%  kept
        T HA    GLU-  29 - HB2   ASN   28   3.80 +/- 0.09  31.186% *  7.9515% (0.11 10.00   4.75  33.00) =   4.839%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.55 +/- 0.24   2.948% * 16.3531% (0.22 10.00   1.96   1.20) =   0.941%  kept
        T HA    GLN   32 - HB2   ASN   28   7.66 +/- 0.36   0.508% *  0.2310% (0.31 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HB2   ASN   35   8.63 +/- 0.68   0.195% *  0.2556% (0.34 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASN   28  10.28 +/- 0.49   0.082% *  0.0519% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  11.47 +/- 0.94   0.044% *  0.0105% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  22.15 +/- 1.27   0.001% *  0.3360% (0.45 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  13.73 +/- 0.63   0.014% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  18.03 +/- 0.99   0.003% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  17.67 +/- 0.67   0.003% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  23.52 +/- 1.02   0.001% *  0.1045% (0.14 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  19.74 +/- 2.36   0.002% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  16.67 +/- 0.63   0.005% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  23.28 +/- 1.08   0.001% *  0.0735% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  20.89 +/- 1.30   0.001% *  0.0336% (0.45  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  20.36 +/- 1.00   0.001% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  22.00 +/- 1.18   0.001% *  0.0195% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  29.04 +/- 1.13   0.000% *  0.0626% (0.84  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  21.65 +/- 1.43   0.001% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  26.07 +/- 0.88   0.000% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  31.42 +/- 1.46   0.000% *  0.0735% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  24.90 +/- 2.02   0.001% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  28.20 +/- 1.75   0.000% *  0.0032% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.86, residual support = 51.9:
          QB    GLU-  36 - HB3   ASN   35   4.02 +/- 0.13  97.509% * 98.6115% (0.99   4.86  51.92) =  99.997%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.74 +/- 0.30   2.002% *  0.0717% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HB3   ASN   35  10.51 +/- 0.54   0.334% *  0.3777% (0.92   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB3   ASN   35  11.92 +/- 0.38   0.152% *  0.2316% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  22.93 +/- 0.95   0.003% *  0.3948% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  27.99 +/- 0.87   0.001% *  0.3127% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.76, support = 5.13, residual support = 46.3:
          QB    GLU-  36 - HB2   ASN   35   4.80 +/- 0.27  30.142% * 68.9638% (0.99  1.00   5.29  51.92) =  70.083%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.50 +/- 0.45  47.577% * 11.4107% (0.18  1.00   4.92  33.00) =  18.303%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.25 +/- 0.43  19.989% * 17.2203% (0.29  1.00   4.56  33.00) =  11.605%  kept
          HB2   LYS+  38 - HB2   ASN   35   7.85 +/- 0.48   1.599% *  0.0461% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HB2   ASN   35  10.57 +/- 0.80   0.277% *  0.2430% (0.92  1.00   0.02   0.02) =   0.002%
        T HB3   GLU-  79 - HB2   ASN   28  13.41 +/- 0.82   0.065% *  0.7904% (0.30 10.00   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB2   ASN   35  11.95 +/- 0.73   0.130% *  0.1491% (0.57  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  11.01 +/- 0.52   0.201% *  0.0812% (0.31  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   90 - HB2   ASN   28  20.56 +/- 0.88   0.005% *  0.6259% (0.24 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  22.38 +/- 1.41   0.003% *  0.2541% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  27.11 +/- 1.27   0.001% *  0.2012% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.55 +/- 0.26   0.012% *  0.0143% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.54, support = 1.92, residual support = 5.8:
          HA    GLN   32 - HB3   ASN   35   3.41 +/- 0.39  90.411% * 37.5800% (0.49  1.00   1.98   6.43) =  87.891%  kept
          HA    LYS+  33 - HB3   ASN   35   5.10 +/- 0.28   9.198% * 50.8563% (0.92  1.00   1.42   1.20) =  12.101%  kept
          HA    GLU-  29 - HB3   ASN   35   8.67 +/- 0.39   0.353% *  0.7713% (0.99  1.00   0.02   0.02) =   0.007%
        T HA    VAL   18 - HB3   ASN   35  18.50 +/- 0.93   0.004% *  7.7647% (1.00 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB3   ASN   35  13.23 +/- 0.70   0.031% *  0.5034% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  21.49 +/- 1.15   0.002% *  0.7765% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  24.20 +/- 0.91   0.001% *  0.4094% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  27.29 +/- 1.70   0.000% *  0.5034% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  29.74 +/- 1.10   0.000% *  0.5947% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  32.25 +/- 1.00   0.000% *  0.2402% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 55.5:
      O   HA    ASN   35 - HB3   ASN   35   3.00 +/- 0.03  99.849% * 99.4336% (0.90  10.0   3.95  55.46) = 100.000%  kept
          HA    LYS+  99 - HB3   ASN   35  10.36 +/- 1.20   0.072% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   ASN   35  10.04 +/- 0.33   0.073% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  17.35 +/- 1.74   0.003% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  19.40 +/- 2.61   0.002% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  24.54 +/- 3.34   0.001% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  29.81 +/- 2.04   0.000% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  27.90 +/- 1.17   0.000% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  31.83 +/- 1.04   0.000% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 55.5:
      O   HD21  ASN   35 - HB3   ASN   35   2.75 +/- 0.36  99.998% * 99.8105% (1.00  10.0   3.26  55.46) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  20.56 +/- 0.59   0.001% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  20.54 +/- 0.72   0.001% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  27.63 +/- 1.66   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.60 +/- 1.45   0.000% *  0.0605% (0.61   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 = 51.9:
          HN    GLU-  36 - HB3   ASN   35   2.94 +/- 0.08  99.337% * 98.9717% (0.97   5.91  51.92) =  99.998%  kept
          HN    THR   39 - HB3   ASN   35   6.87 +/- 0.19   0.616% *  0.3112% (0.90   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB3   ASN   35  11.56 +/- 1.52   0.037% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  14.18 +/- 0.51   0.008% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  18.88 +/- 0.88   0.001% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 55.5:
      O   HN    ASN   35 - HB3   ASN   35   2.72 +/- 0.35  99.999% * 99.9102% (0.97  10.0   5.88  55.46) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  21.23 +/- 3.33   0.001% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 55.5:
      O   HD22  ASN   35 - HB3   ASN   35   3.74 +/- 0.18 100.000% *100.0000% (0.99  10.0   3.26  55.46) = 100.000%  kept
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.05, residual support = 51.9:
          HN    GLU-  36 - HB2   ASN   35   3.51 +/- 0.13  97.549% * 98.9280% (0.92   6.05  51.92) =  99.995%  kept
          HN    THR   39 - HB2   ASN   35   6.72 +/- 0.27   2.075% *  0.1863% (0.53   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HB2   ASN   35  10.63 +/- 1.61   0.211% *  0.3533% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB2   ASN   28  11.60 +/- 0.42   0.077% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  12.54 +/- 0.72   0.051% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  17.98 +/- 1.15   0.006% *  0.2005% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  14.50 +/- 0.35   0.020% *  0.0580% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  16.77 +/- 1.72   0.010% *  0.1099% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 5.58, residual support = 86.7:
      O T HA    GLU-  36 - QB    GLU-  36   2.31 +/- 0.18  99.993% * 99.4140% (0.84  10.0 10.00   5.58  86.74) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.01 +/- 0.86   0.006% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  20.82 +/- 0.93   0.000% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  18.24 +/- 0.70   0.000% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  23.21 +/- 0.66   0.000% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  23.87 +/- 3.57   0.000% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  24.36 +/- 0.90   0.000% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  28.59 +/- 1.88   0.000% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  26.97 +/- 2.31   0.000% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  30.38 +/- 3.21   0.000% *  0.0114% (0.10   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 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.72, residual support = 18.8:
          HN    SER   37 - QB    GLU-  36   3.49 +/- 0.23  82.269% * 95.6956% (0.45   3.72  18.85) =  99.941%  kept
          HN    LYS+  33 - QB    GLU-  36   4.77 +/- 0.23  13.069% *  0.3191% (0.28   0.02   0.02) =   0.053%
          HN    LYS+  33 - HB3   GLU-  29   5.83 +/- 0.61   4.498% *  0.0989% (0.09   0.02   0.02) =   0.006%
          HN    CYS   21 - HB3   GLU-  29  11.45 +/- 0.69   0.079% *  0.3431% (0.30   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.44 +/- 0.74   0.072% *  0.1594% (0.14   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    GLU-  36  16.40 +/- 0.60   0.008% *  1.1076% (0.97   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  23.62 +/- 1.13   0.001% *  0.9955% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  22.57 +/- 0.43   0.001% *  0.7424% (0.65   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  20.11 +/- 0.68   0.002% *  0.2300% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  26.32 +/- 1.20   0.001% *  0.3084% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.51 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   2.14 +/- 0.08  99.824% * 99.6455% (0.69  10.0   7.31  86.74) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.29 +/- 0.28   0.159% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29   9.87 +/- 0.73   0.011% *  0.0309% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  13.67 +/- 1.30   0.002% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  12.89 +/- 0.75   0.002% *  0.0125% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  18.56 +/- 1.66   0.000% *  0.0390% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.14 +/- 0.79   0.000% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  19.34 +/- 0.51   0.000% *  0.0448% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  16.37 +/- 0.63   0.001% *  0.0139% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.16 +/- 0.70   0.000% *  0.0112% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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   3.26 +/- 0.53  99.983% * 98.4015% (0.28   4.85  86.74) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  15.34 +/- 1.40   0.015% *  0.6543% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  20.16 +/- 1.13   0.002% *  0.9442% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.24 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   3.96 +/- 0.29  96.600% * 98.8128% (0.69   4.85  86.74) =  99.994%  kept
          HN    THR   39 - HG3   GLU-  36   7.30 +/- 1.15   3.310% *  0.1649% (0.28   0.02   0.02) =   0.006%
          HN    LYS+ 102 - HG3   GLU-  36  16.27 +/- 1.37   0.025% *  0.5146% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  17.92 +/- 3.29   0.020% *  0.0508% (0.09   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  17.32 +/- 3.19   0.034% *  0.0206% (0.03   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  21.08 +/- 0.95   0.005% *  0.1479% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  22.75 +/- 0.61   0.003% *  0.1831% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  26.72 +/- 3.60   0.002% *  0.0641% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  28.00 +/- 2.31   0.001% *  0.0184% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  29.82 +/- 2.04   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.05 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  99.991% * 99.6076% (0.28  10.0   6.06  86.74) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  14.11 +/- 1.40   0.008% *  0.1606% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  19.72 +/- 0.94   0.001% *  0.2318% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 26.9:
      O   HN    SER   37 - HB2   SER   37   3.32 +/- 0.32  99.992% * 99.7690% (0.98  10.0   3.42  26.90) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  17.33 +/- 0.70   0.005% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  21.81 +/- 1.66   0.002% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  24.95 +/- 0.70   0.001% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.533, support = 0.02, residual support = 0.02:
          HN    GLN   30 - HB3   SER   37  10.86 +/- 0.59  45.171% * 12.9780% (0.47   0.02   0.02) =  49.416%  kept
          HN    GLU-  29 - HB3   SER   37  13.03 +/- 0.61  15.052% * 22.4691% (0.82   0.02   0.02) =  28.509%  kept
          HN    VAL   18 - QB    SER   13  11.95 +/- 0.90  27.400% *  4.8772% (0.18   0.02   0.02) =  11.265%  kept
          HN    GLN   30 - QB    SER   13  16.61 +/- 2.17   5.098% *  9.9312% (0.36   0.02   0.02) =   4.267%  kept
          HN    GLU-  29 - QB    SER   13  18.48 +/- 2.18   2.493% * 17.1942% (0.63   0.02   0.02) =   3.613%  kept
          HN    VAL   18 - HB3   SER   37  16.43 +/- 1.23   4.219% *  6.3735% (0.23   0.02   0.02) =   2.266%  kept
          HN    ASP-  86 - HB3   SER   37  23.75 +/- 0.64   0.412% * 14.8290% (0.54   0.02   0.02) =   0.515%  kept
          HN    ASP-  86 - QB    SER   13  28.09 +/- 1.39   0.156% * 11.3477% (0.41   0.02   0.02) =   0.149%
    Distance limit 3.78 A violated in 20 structures by 5.70 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 = 218.5:
      O   HN    LYS+  38 - HA    LYS+  38   2.21 +/- 0.00  96.977% * 99.8691% (0.92  10.0   6.63 218.54) =  99.999%  kept
          HN    SER   37 - HA    LYS+  38   4.03 +/- 0.01   2.625% *  0.0270% (0.25   1.0   0.02  13.65) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   6.42 +/- 1.43   0.309% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.73 +/- 0.27   0.007% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   7.89 +/- 1.42   0.072% *  0.0016% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  10.79 +/- 1.42   0.009% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  22.41 +/- 0.80   0.000% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  30.68 +/- 1.03   0.000% *  0.0527% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  22.38 +/- 1.11   0.000% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  29.44 +/- 1.34   0.000% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 6.31, residual support = 22.9:
      O   HN    THR   39 - HA    LYS+  38   3.09 +/- 0.02  89.773% * 99.6467% (0.92  10.0   6.31  22.95) =  99.996%  kept
          HN    GLU-  36 - HA    LYS+  38   5.34 +/- 0.05   3.393% *  0.1021% (0.95   1.0   0.02   0.63) =   0.004%
          HN    LYS+ 102 - HA    GLU- 100   5.26 +/- 0.57   4.589% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    LYS+  38   9.42 +/- 1.29   0.164% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    GLU- 100   6.68 +/- 1.34   1.672% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   8.16 +/- 1.43   0.398% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  20.17 +/- 0.65   0.001% *  0.1021% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.99 +/- 0.28   0.003% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  17.68 +/- 1.08   0.003% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  16.86 +/- 1.35   0.004% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   4.74 +/- 0.04  99.973% * 32.1378% (1.00   0.02  13.65) =  99.984%  kept
          HN    ILE  119 - HB2   LYS+  38  22.46 +/- 1.74   0.010% * 25.7912% (0.80   0.02   0.02) =   0.008%
          HN    CYS   21 - HB2   LYS+  38  21.10 +/- 0.45   0.013% * 10.9869% (0.34   0.02   0.02) =   0.004%
          HN    ILE   89 - HB2   LYS+  38  26.07 +/- 0.60   0.004% * 31.0842% (0.97   0.02   0.02) =   0.004%
    Distance limit 3.68 A violated in 20 structures by 1.06 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.451, support = 5.32, residual support = 22.8:
          HN    THR   39 - HB2   LYS+  38   4.18 +/- 0.13  93.567% * 88.7410% (0.45   5.36  22.95) =  99.245%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.65 +/- 0.19   6.188% * 10.1756% (0.87   0.32   0.63) =   0.753%  kept
          HN    LYS+ 102 - HB2   LYS+  38  11.63 +/- 1.12   0.241% *  0.7240% (0.98   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB2   LYS+  38  22.94 +/- 0.60   0.004% *  0.3595% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 2 structures by 0.84 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.787, support = 5.8, residual support = 212.2:
          HN    LYS+  38 - HG2   LYS+  38   3.27 +/- 0.17  90.691% * 74.9332% (0.80   5.86 218.54) =  96.886%  kept
          HN    SER   37 - HG2   LYS+  38   4.83 +/- 0.06   8.828% * 24.7351% (0.38   4.12  13.65) =   3.113%  kept
          HN    LYS+  38 - HG2   LYS+  99   8.50 +/- 0.94   0.358% *  0.0697% (0.22   0.02   0.02) =   0.000%
          HN    SER   37 - HG2   LYS+  99  10.10 +/- 0.87   0.120% *  0.0327% (0.10   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  25.36 +/- 0.93   0.000% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  20.98 +/- 0.94   0.001% *  0.0194% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  32.99 +/- 1.10   0.000% *  0.1090% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.99 +/- 1.31   0.000% *  0.0297% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.781, support = 5.57, residual support = 208.9:
          HN    LYS+  38 - HG3   LYS+  38   4.00 +/- 0.09  87.922% * 71.9072% (0.80   5.61 218.54) =  95.297%  kept
          HN    SER   37 - HG3   LYS+  38   5.66 +/- 0.15  11.201% * 27.8544% (0.38   4.64  13.65) =   4.703%  kept
          HN    LYS+  38 - HG3   LYS+  99   9.47 +/- 1.19   0.639% *  0.0267% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG3   LYS+  99  11.10 +/- 1.15   0.231% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  25.31 +/- 1.06   0.001% *  0.0712% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  32.82 +/- 1.31   0.000% *  0.1091% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.13 +/- 1.04   0.004% *  0.0074% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  28.20 +/- 0.96   0.001% *  0.0114% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.963, support = 3.68, residual support = 37.1:
      O   HN    THR   39 - HA    THR   39   2.86 +/- 0.01  96.192% * 95.2217% (0.97  10.0   3.69  37.19) =  99.832%  kept
          HN    LYS+ 102 - HA    ILE  103   4.99 +/- 0.22   3.528% *  4.3546% (0.24   1.0   3.68  22.38) =   0.167%
          HN    GLU-  36 - HA    THR   39   8.02 +/- 0.16   0.199% *  0.0885% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.83 +/- 1.32   0.043% *  0.0716% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.75 +/- 1.81   0.016% *  0.0320% (0.32   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  13.12 +/- 0.74   0.011% *  0.0315% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.29 +/- 1.13   0.004% *  0.0292% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.79 +/- 0.43   0.002% *  0.0406% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  19.90 +/- 0.58   0.001% *  0.0967% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.26 +/- 1.64   0.002% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  18.11 +/- 1.64   0.002% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.19 +/- 0.68   0.000% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.03, residual support = 23.7:
      O   HN    LEU   40 - HA    THR   39   2.29 +/- 0.02  99.717% * 99.8247% (0.57  10.0   4.03  23.66) = 100.000%  kept
          HN    GLY  101 - HA    ILE  103   6.28 +/- 0.23   0.240% *  0.0353% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   9.06 +/- 1.01   0.034% *  0.1069% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.95 +/- 0.48   0.009% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 3.65, residual support = 37.2:
      O   HN    THR   39 - HB    THR   39   2.78 +/- 0.26  99.454% * 99.6727% (0.97  10.0   3.65  37.19) =  99.999%  kept
          HN    GLU-  36 - HB    THR   39   6.78 +/- 0.41   0.509% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   39  11.75 +/- 1.39   0.029% *  0.0750% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  14.13 +/- 0.72   0.007% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  18.35 +/- 0.48   0.001% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  24.90 +/- 0.69   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.92, residual support = 23.7:
          HN    LEU   40 - HB    THR   39   3.66 +/- 0.25  99.593% * 99.9090% (0.98   3.92  23.66) = 100.000%  kept
          HN    GLY  101 - HB    THR   39   9.69 +/- 1.18   0.407% *  0.0910% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.596, support = 0.215, residual support = 0.215:
          HN    LEU   71 - QG2   THR   39   3.20 +/- 0.95  99.672% * 54.1875% (0.60   0.22   0.22) =  99.984%  kept
          HN    GLU- 114 - QB    ALA   91  12.83 +/- 2.20   0.087% *  3.3949% (0.40   0.02   0.02) =   0.005%
          HN    GLN  116 - QB    ALA   91  14.20 +/- 2.15   0.041% *  2.8930% (0.34   0.02   0.02) =   0.002%
          HN    PHE   60 - QG2   THR   39  14.86 +/- 1.13   0.029% *  2.5019% (0.30   0.02   0.02) =   0.001%
          HN    LEU   71 - QG2   THR   23  15.55 +/- 1.08   0.025% *  2.8271% (0.33   0.02   0.02) =   0.001%
          HN    THR  118 - QB    ALA   91  14.70 +/- 2.19   0.033% *  1.9609% (0.23   0.02   0.02) =   0.001%
          HN    PHE   60 - QB    ALA   91  13.66 +/- 0.92   0.055% *  1.1814% (0.14   0.02   0.02) =   0.001%
          HN    THR  118 - QG2   THR   39  16.16 +/- 1.06   0.015% *  4.1525% (0.49   0.02   0.02) =   0.001%
          HN    GLN  116 - QG2   THR   39  18.30 +/- 1.41   0.008% *  6.1263% (0.72   0.02   0.02) =   0.001%
          HN    GLU- 114 - QG2   THR   39  20.53 +/- 1.04   0.004% *  7.1893% (0.85   0.02   0.02) =   0.001%
          HN    PHE   60 - QG2   THR   23  17.50 +/- 0.96   0.018% *  1.4039% (0.17   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ALA   91  20.15 +/- 1.05   0.006% *  2.3791% (0.28   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   23  23.65 +/- 1.10   0.002% *  3.4377% (0.41   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   23  24.82 +/- 0.82   0.002% *  4.0342% (0.48   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  23.05 +/- 1.02   0.003% *  2.3301% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 2 structures by 0.27 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 = 23.7:
          HN    LEU   40 - QG2   THR   39   2.57 +/- 0.43  99.998% * 99.4393% (0.66   3.67  23.66) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  17.90 +/- 0.99   0.002% *  0.3045% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  21.87 +/- 1.20   0.000% *  0.2562% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.603, support = 3.09, residual support = 13.3:
      O   HN    ALA   91 - QB    ALA   91   2.37 +/- 0.13  85.535% * 88.7502% (0.61  10.0   3.08  12.88) =  98.342%  kept
          HN    THR   39 - QG2   THR   39   3.43 +/- 0.37  12.344% * 10.3626% (0.38   1.0   3.75  37.19) =   1.657%  kept
          HN    TRP   27 - QG2   THR   23   5.00 +/- 0.83   1.928% *  0.0142% (0.10   1.0   0.02   1.88) =   0.000%
          HN    GLU-  36 - QG2   THR   39   7.11 +/- 0.53   0.127% *  0.0259% (0.18   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   91   9.47 +/- 0.59   0.024% *  0.1118% (0.76   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  11.59 +/- 0.96   0.008% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  10.69 +/- 1.17   0.014% *  0.0154% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  12.97 +/- 0.50   0.003% *  0.0638% (0.44   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  15.28 +/- 0.79   0.001% *  0.0770% (0.53   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  17.11 +/- 0.46   0.001% *  0.1351% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.15 +/- 1.01   0.002% *  0.0364% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  12.00 +/- 0.52   0.005% *  0.0118% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  16.38 +/- 0.75   0.001% *  0.0528% (0.36   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  15.54 +/- 0.84   0.001% *  0.0172% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  23.94 +/- 1.05   0.000% *  0.1172% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  16.26 +/- 0.63   0.001% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  20.30 +/- 1.63   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  17.28 +/- 0.94   0.001% *  0.0123% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  21.44 +/- 0.86   0.000% *  0.0419% (0.29   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.93 +/- 0.86   0.001% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  16.89 +/- 0.87   0.001% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  15.14 +/- 0.62   0.001% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.95 +/- 0.90   0.000% *  0.0549% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  20.25 +/- 1.52   0.000% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.04, residual support = 8.97:
          HN    MET   92 - QB    ALA   91   2.94 +/- 0.27  99.359% * 96.4971% (0.87   3.04   8.97) =  99.998%  kept
          HN    THR   46 - QB    ALA   91   8.78 +/- 0.62   0.162% *  0.7179% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QB    ALA   91  11.74 +/- 2.06   0.087% *  0.2498% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   23   8.49 +/- 0.86   0.293% *  0.0668% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   39  11.50 +/- 0.67   0.031% *  0.3000% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  15.07 +/- 0.50   0.006% *  0.6353% (0.87   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  11.13 +/- 0.60   0.045% *  0.0755% (0.10   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  15.40 +/- 2.58   0.008% *  0.1820% (0.25   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.78 +/- 0.66   0.003% *  0.3390% (0.46   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  22.38 +/- 0.96   0.001% *  0.3000% (0.41   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  17.53 +/- 0.78   0.003% *  0.0668% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  22.01 +/- 1.48   0.001% *  0.1180% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  21.40 +/- 2.70   0.001% *  0.0405% (0.06   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  34.24 +/- 1.90   0.000% *  0.3853% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  24.37 +/- 1.13   0.000% *  0.0263% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.671, support = 4.92, residual support = 72.7:
          HA    LEU   40 - QD2   LEU   40   2.34 +/- 0.43  53.300% * 63.0277% (0.61   6.07 102.48) =  67.033%  kept
          HA    LYS+  99 - QD2   LEU   40   2.51 +/- 0.59  46.664% * 35.4052% (0.80   2.58  12.23) =  32.967%  kept
          HA    ASN   35 - QD2   LEU   40   8.38 +/- 0.60   0.022% *  0.3159% (0.92   0.02   0.02) =   0.000%
          HA    LEU  123 - QD2   LEU   40  10.82 +/- 2.15   0.010% *  0.3392% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  12.70 +/- 0.81   0.002% *  0.1407% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  16.54 +/- 1.62   0.000% *  0.3237% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  15.64 +/- 1.10   0.001% *  0.1534% (0.45   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.58 +/- 0.98   0.000% *  0.1534% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  16.73 +/- 1.76   0.001% *  0.1407% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.987, support = 4.49, residual support = 101.9:
          HA    LEU   40 - QD1   LEU   40   3.62 +/- 0.43  80.322% * 94.9185% (0.99   4.51 102.48) =  99.337%  kept
          HA    LYS+  99 - QD1   LEU   40   4.79 +/- 0.69  17.651% *  2.8536% (0.31   0.44  12.23) =   0.656%  kept
          HA    LEU  123 - QD1   LEU   40   9.75 +/- 2.43   1.239% *  0.2573% (0.61   0.02   0.02) =   0.004%
          HA    GLU-  15 - QD1   LEU   40  10.94 +/- 0.87   0.135% *  0.3805% (0.90   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU   40   9.57 +/- 0.66   0.239% *  0.1902% (0.45   0.02   0.02) =   0.001%
          HA    GLN   17 - QD1   LEU   40  10.51 +/- 0.94   0.192% *  0.1310% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - QD1   LEU   40  10.97 +/- 0.28   0.115% *  0.1310% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU   40  13.67 +/- 0.92   0.038% *  0.3917% (0.92   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  15.33 +/- 1.52   0.022% *  0.3805% (0.90   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  14.94 +/- 1.49   0.023% *  0.2065% (0.49   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  14.33 +/- 0.42   0.023% *  0.1592% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.679, support = 0.441, residual support = 0.554:
        T HB3   HIS  122 - QD1   LEU   40   6.31 +/- 2.46  57.937% * 95.5725% (0.69 10.00   0.44   0.57) =  97.863%  kept
          QE    LYS+ 121 - QD1   LEU   40   7.73 +/- 2.13  32.764% *  3.6585% (0.34  1.00   0.34   0.02) =   2.118%  kept
          QE    LYS+  74 - QD1   LEU   40  10.02 +/- 0.95   8.894% *  0.1098% (0.18  1.00   0.02   0.02) =   0.017%
          HB3   ASP-  78 - QD1   LEU   40  20.20 +/- 1.19   0.110% *  0.5624% (0.90  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - QD1   LEU   40  16.89 +/- 1.30   0.295% *  0.0968% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 12 structures by 1.95 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.915, support = 0.0199, residual support = 0.0199:
          HE21  GLN   30 - QD1   LEU   40   9.51 +/- 1.34  46.525% * 27.6510% (1.00   0.02   0.02) =  50.992%  kept
          QD    PHE   59 - QD1   LEU   40   9.45 +/- 1.07  45.958% * 23.0961% (0.84   0.02   0.02) =  42.073%  kept
          HD1   TRP   27 - QD1   LEU   40  12.78 +/- 1.09   7.077% * 23.0961% (0.84   0.02   0.02) =   6.479%  kept
          HH2   TRP   49 - QD1   LEU   40  20.97 +/- 1.85   0.440% * 26.1568% (0.95   0.02   0.02) =   0.456%
    Distance limit 3.72 A violated in 20 structures by 4.33 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40  10.51 +/- 1.46  47.549% * 27.6510% (1.00   0.02   0.02) =  52.006%  kept
          QD    PHE   59 - QD2   LEU   40  10.91 +/- 1.19  38.641% * 23.0961% (0.84   0.02   0.02) =  35.302%  kept
          HD1   TRP   27 - QD2   LEU   40  12.95 +/- 1.09  13.190% * 23.0961% (0.84   0.02   0.02) =  12.050%  kept
          HH2   TRP   49 - QD2   LEU   40  22.03 +/- 1.98   0.620% * 26.1568% (0.95   0.02   0.02) =   0.642%  kept
    Distance limit 3.53 A violated in 20 structures by 5.52 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.57, residual support = 19.8:
          HN    VAL   41 - QD2   LEU   40   2.50 +/- 0.57 100.000% *100.0000% (0.73   4.57  19.83) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.54, residual support = 9.81:
          HN    LEU   98 - QD2   LEU   40   3.23 +/- 0.54 100.000% *100.0000% (0.97   4.54   9.81) = 100.000%  kept
    Distance limit 3.50 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.91, residual support = 102.5:
      O   HN    LEU   40 - HB3   LEU   40   2.38 +/- 0.16  99.957% * 99.9683% (0.98  10.0   4.91 102.48) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   8.98 +/- 1.06   0.042% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  19.18 +/- 1.87   0.000% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  21.02 +/- 1.49   0.000% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.72, residual support = 102.5:
      O   HN    LEU   40 - HB2   LEU   40   2.52 +/- 0.19  99.905% * 99.9908% (0.76  10.0   4.72 102.48) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   8.73 +/- 1.29   0.095% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 35.9:
          QG2   VAL   70 - HB2   LEU   40   3.61 +/- 0.34  57.588% * 99.9538% (0.80   3.99  35.94) =  99.966%  kept
          QG2   VAL   70 - HB2   LEU   67   4.10 +/- 1.28  42.412% *  0.0462% (0.07   0.02   0.02) =   0.034%
    Distance limit 3.48 A violated in 1 structures by 0.19 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 35.9:
        T QG2   VAL   70 - HB3   LEU   40   2.18 +/- 0.36  99.994% * 99.8828% (0.98 10.00   3.99  35.94) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  12.52 +/- 1.69   0.006% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.2, support = 5.14, residual support = 99.2:
      O T HA    LEU   40 - HG    LEU   40   3.21 +/- 0.42  77.476% * 69.5107% (0.18  10.0 10.00   5.30 102.48) =  96.461%  kept
          HA    LYS+  99 - HG    LEU   40   4.49 +/- 0.81  13.271% * 11.5589% (0.98   1.0  1.00   0.59  12.23) =   2.748%  kept
          HA    ASP- 113 - HG    LEU  115   6.44 +/- 1.29   4.035% * 10.7133% (0.53   1.0  1.00   1.01   0.02) =   0.774%  kept
          HA    ILE   56 - HG    LEU  115   6.22 +/- 0.96   2.400% *  0.1993% (0.50   1.0  1.00   0.02   0.40) =   0.009%
        T HA    ASN   35 - HG    LEU   40  10.52 +/- 0.56   0.067% *  3.5596% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          HA    PHE   59 - HG    LEU  115   6.81 +/- 1.15   2.346% *  0.0784% (0.20   1.0  1.00   0.02  30.29) =   0.003%
          HA    LEU  123 - HG    LEU   40  12.47 +/- 2.63   0.135% *  0.3033% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HG    LEU   73  11.52 +/- 0.86   0.047% *  0.0725% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  14.17 +/- 1.49   0.016% *  0.1756% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  12.59 +/- 0.71   0.028% *  0.0664% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73   9.74 +/- 0.75   0.139% *  0.0130% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  15.13 +/- 1.23   0.011% *  0.1354% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  19.21 +/- 2.13   0.003% *  0.4024% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  19.22 +/- 1.76   0.003% *  0.3443% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  19.76 +/- 1.27   0.002% *  0.3664% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  26.00 +/- 1.95   0.000% *  2.0609% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  19.55 +/- 2.02   0.002% *  0.2252% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  18.76 +/- 2.59   0.004% *  0.0566% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  17.92 +/- 1.61   0.004% *  0.0642% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  15.37 +/- 0.85   0.009% *  0.0252% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  22.90 +/- 0.86   0.001% *  0.0683% (0.17   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 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.53, residual support = 35.9:
        T QG2   VAL   70 - HG    LEU   40   3.30 +/- 0.38  97.752% * 99.2404% (0.98 10.00   6.53  35.94) =  99.995%  kept
        T QG2   VAL   70 - HG    LEU   73   6.57 +/- 0.52   2.188% *  0.1850% (0.18 10.00   0.02   0.02) =   0.004%
        T QG2   VAL   70 - HG    LEU  115  12.99 +/- 2.09   0.059% *  0.5746% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 35.9:
          QG2   VAL   70 - QD1   LEU   40   1.99 +/- 0.58 100.000% *100.0000% (0.80   3.47  35.94) = 100.000%  kept
    Distance limit 2.85 A violated in 1 structures by 0.07 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.47, residual support = 35.9:
          QG2   VAL   70 - QD2   LEU   40   3.70 +/- 0.50 100.000% *100.0000% (0.53   4.47  35.94) = 100.000%  kept
    Distance limit 3.15 A violated in 4 structures by 0.61 A, kept.
 
    Peak 2559 (0.66, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          QG2   ILE   19 - QD2   LEU   40  10.55 +/- 0.96 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.56 A violated in 20 structures by 8.00 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.682, support = 4.39, residual support = 102.5:
      O T HG    LEU   40 - QD2   LEU   40   2.11 +/- 0.02  89.189% * 41.4375% (0.65  10.0 10.00   4.18 102.48) =  85.920%  kept
      O   HB3   LEU   40 - QD2   LEU   40   3.06 +/- 0.18  10.542% * 57.4464% (0.90  10.0  1.00   5.67 102.48) =  14.080%  kept
          HG    LEU   67 - QD2   LEU   40   7.73 +/- 1.72   0.116% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD2   LEU   40   8.67 +/- 1.23   0.030% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.11 +/- 1.64   0.107% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  13.96 +/- 1.88   0.002% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  10.16 +/- 1.43   0.012% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  13.32 +/- 1.09   0.002% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  13.26 +/- 1.48   0.002% *  0.0414% (0.65   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 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.243, support = 2.07, residual support = 12.2:
        T HB3   LYS+  99 - QD2   LEU   40   2.68 +/- 0.68  70.265% * 42.5863% (0.22 10.00   1.86  12.23) =  63.952%  kept
        T HB2   LYS+  99 - QD2   LEU   40   3.34 +/- 0.93  29.530% * 57.1169% (0.28 10.00   2.45  12.23) =  36.047%  kept
          HB    VAL   43 - QD2   LEU   40   8.15 +/- 0.71   0.190% *  0.0771% (0.38  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD2   LEU   40  14.61 +/- 1.13   0.004% *  0.1246% (0.61  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD2   LEU   40  12.87 +/- 1.30   0.010% *  0.0317% (0.15  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  19.58 +/- 0.72   0.001% *  0.0634% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.297, support = 0.02, residual support = 0.482:
          HB2   HIS  122 - QD2   LEU   40   6.98 +/- 2.18  77.761% * 19.5836% (0.31   0.02   0.57) =  84.597%  kept
          HA    LEU   63 - QD2   LEU   40  10.06 +/- 1.31  20.973% * 11.1120% (0.18   0.02   0.02) =  12.946%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.88 +/- 1.45   0.774% * 35.9222% (0.57   0.02   0.02) =   1.544%  kept
          HB2   HIS   22 - QD2   LEU   40  18.14 +/- 1.01   0.492% * 33.3822% (0.53   0.02   0.02) =   0.913%  kept
    Distance limit 3.49 A violated in 16 structures by 3.10 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.81, residual support = 12.2:
          QE    LYS+  99 - QD2   LEU   40   2.80 +/- 0.97  95.110% * 98.5537% (0.69   3.82  12.23) =  99.961%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.07 +/- 1.19   4.658% *  0.7521% (1.00   0.02   0.02) =   0.037%
          QE    LYS+  38 - QD2   LEU   40   9.19 +/- 0.58   0.232% *  0.6942% (0.92   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 1 structures by 0.10 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.838, support = 0.753, residual support = 0.83:
        T HB3   PHE   97 - QD2   LEU   40   3.80 +/- 0.83  89.542% * 86.3306% (0.84 10.00   0.75   0.84) =  98.297%  kept
          HB2   GLU- 100 - QD2   LEU   40   6.30 +/- 1.15  10.275% * 13.0329% (0.99  1.00   0.95   0.02) =   1.703%  kept
          QG    GLN   32 - QD2   LEU   40  11.54 +/- 0.66   0.124% *  0.0940% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  14.84 +/- 1.42   0.031% *  0.2607% (0.95  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  17.40 +/- 0.75   0.011% *  0.1783% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  16.47 +/- 1.19   0.017% *  0.1034% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 102.5:
      O T HB2   LEU   40 - QD1   LEU   40   2.90 +/- 0.24  96.194% * 99.2435% (0.84  10.0 10.00   4.44 102.48) =  99.982%  kept
        T HB2   LEU   67 - QD1   LEU   40   5.93 +/- 1.47   3.401% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.017%
          HB3   MET   96 - QD1   LEU   40   8.31 +/- 0.93   0.329% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU   40  10.48 +/- 1.37   0.065% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  14.03 +/- 1.44   0.010% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  19.29 +/- 1.35   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 = 102.5:
      O   HB2   LEU   40 - QD2   LEU   40   2.44 +/- 0.38  99.742% * 96.6350% (0.34  10.0  1.00   5.44 102.48) =  99.994%  kept
        T HB2   LEU   67 - QD2   LEU   40   7.95 +/- 1.47   0.233% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.006%
          HB    VAL   18 - QD2   LEU   40  12.52 +/- 1.57   0.019% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  14.03 +/- 1.35   0.005% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  17.84 +/- 1.18   0.001% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  20.90 +/- 1.61   0.000% *  0.2541% (0.90   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 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.784, support = 3.9, residual support = 102.5:
      O T HB3   LEU   40 - QD1   LEU   40   2.15 +/- 0.12  46.584% * 57.4671% (0.90  10.0 10.00   3.57 102.48) =  55.043%  kept
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.01  52.741% * 41.4524% (0.65  10.0  1.00   4.30 102.48) =  44.951%  kept
        T HG    LEU   67 - QD1   LEU   40   6.03 +/- 1.67   0.602% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   LEU  115 - QD1   LEU   40  12.12 +/- 1.40   0.002% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   40   9.48 +/- 1.49   0.010% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   7.49 +/- 0.77   0.034% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  10.04 +/- 1.84   0.024% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  12.70 +/- 1.90   0.002% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  11.67 +/- 0.69   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 = 0.935, support = 4.44, residual support = 99.3:
      O T QD1   LEU   40 - HB2   LEU   40   2.90 +/- 0.24  50.843% * 92.1745% (1.00  10.0 10.00   4.44 102.48) =  92.888%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.95 +/- 0.30  47.062% *  7.6201% (0.08  10.0  1.00   4.39  57.67) =   7.108%  kept
        T QD1   LEU   40 - HB2   LEU   67   5.93 +/- 1.47   1.779% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   67 - HB2   LEU   40   7.55 +/- 1.45   0.313% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB2   LEU   40  17.18 +/- 0.75   0.001% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.66 +/- 1.21   0.001% *  0.0032% (0.03   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 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 102.5:
      O T QD1   LEU   40 - HB3   LEU   40   2.15 +/- 0.12  99.825% * 99.7412% (1.00  10.0 10.00   3.57 102.48) = 100.000%  kept
          QD2   LEU   67 - HB3   LEU   40   6.89 +/- 1.14   0.144% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   40 - HB3   LEU  115  12.12 +/- 1.40   0.004% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   8.88 +/- 0.88   0.023% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  13.14 +/- 1.80   0.003% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  16.88 +/- 0.70   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.867, support = 4.18, residual support = 102.5:
      O T QD2   LEU   40 - HG    LEU   40   2.11 +/- 0.02  96.939% * 96.1741% (0.87  10.0 10.00   4.18 102.48) =  99.991%  kept
        T QD1   LEU   67 - HG    LEU   40   6.38 +/- 2.23   0.830% *  0.9261% (0.84   1.0 10.00   0.02   0.02) =   0.008%
          QD1   ILE  119 - HG    LEU  115   4.72 +/- 0.81   1.484% *  0.0112% (0.10   1.0  1.00   0.02   8.14) =   0.000%
        T QD2   LEU   40 - HG    LEU   73   8.67 +/- 1.23   0.034% *  0.1793% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU   73   9.29 +/- 1.19   0.022% *  0.1727% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   40   8.28 +/- 0.74   0.033% *  0.0805% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  12.40 +/- 1.78   0.003% *  0.5362% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   40   7.94 +/- 1.21   0.090% *  0.0194% (0.18   1.0  1.00   0.02   1.66) =   0.000%
          QD2   LEU   71 - HG    LEU   73   5.41 +/- 0.81   0.454% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  13.96 +/- 1.88   0.002% *  0.5568% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.70 +/- 0.55   0.046% *  0.0179% (0.16   1.0  1.00   0.02   0.44) =   0.000%
          QD1   ILE  119 - HG    LEU   40  10.53 +/- 2.15   0.037% *  0.0194% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  14.73 +/- 1.78   0.001% *  0.3893% (0.35   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  16.52 +/- 1.30   0.000% *  0.6725% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   9.38 +/- 0.37   0.013% *  0.0125% (0.11   1.0  1.00   0.02  40.49) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.09 +/- 1.23   0.002% *  0.0466% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   40  15.03 +/- 1.36   0.001% *  0.0962% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  12.37 +/- 1.03   0.003% *  0.0150% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  16.41 +/- 2.16   0.001% *  0.0557% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  12.20 +/- 1.56   0.004% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.08 +/- 1.92   0.001% *  0.0112% (0.10   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 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.864, support = 3.8, residual support = 73.6:
      O T QG2   VAL   41 - QG1   VAL   41   2.07 +/- 0.04  86.964% * 95.1141% (0.87  10.0 10.00   3.81  73.90) =  99.656%  kept
          QD2   LEU   98 - QG1   VAL   41   3.44 +/- 1.00  11.653% *  2.4273% (0.69   1.0  1.00   0.64  28.75) =   0.341%
        T QD1   LEU   73 - QG1   VAL   41   5.79 +/- 0.86   0.330% *  0.3384% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QG2   VAL   18   6.08 +/- 1.12   0.355% *  0.2586% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QG2   VAL   18   7.05 +/- 0.76   0.072% *  0.2586% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   6.02 +/- 0.95   0.335% *  0.0405% (0.04   1.0 10.00   0.02   8.33) =   0.000%
          QD2   LEU   63 - QG2   VAL   18   6.69 +/- 0.91   0.118% *  0.0752% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QG2   VAL   18   9.56 +/- 0.87   0.011% *  0.7269% (0.66   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.83 +/- 1.50   0.012% *  0.3384% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   7.35 +/- 0.91   0.075% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   9.56 +/- 1.71   0.016% *  0.0983% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18  10.28 +/- 1.25   0.008% *  0.0576% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  10.43 +/- 1.15   0.007% *  0.0576% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  11.38 +/- 1.09   0.004% *  0.0753% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.93 +/- 1.28   0.013% *  0.0182% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   9.48 +/- 1.70   0.021% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  11.08 +/- 1.07   0.005% *  0.0182% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  15.73 +/- 1.08   0.001% *  0.0405% (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 = 9.4:
          QB    ALA   34 - QG2   VAL   41   2.84 +/- 0.40  99.050% * 83.7251% (0.18   1.46   9.40) =  99.981%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.40 +/- 0.70   0.750% *  1.3004% (0.20   0.02   0.02) =   0.012%
          QG2   THR   77 - QG2   VAL   41  11.39 +/- 0.57   0.034% *  6.2160% (0.95   0.02   0.02) =   0.003%
          HG2   LYS+  38 - QG2   VAL   41   9.24 +/- 0.64   0.105% *  1.8270% (0.28   0.02   0.02) =   0.002%
          QG2   THR   23 - QG2   VAL   41  11.12 +/- 0.98   0.037% *  2.9460% (0.45   0.02   0.02) =   0.001%
          QB    ALA   88 - QG2   VAL   41  12.00 +/- 0.48   0.025% *  3.9856% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 2.63, residual support = 28.7:
        T QB    LEU   98 - QG2   VAL   41   3.19 +/- 0.74  88.709% * 95.8151% (0.34 10.00   2.63  28.75) =  99.987%  kept
          HG    LEU   73 - QG2   VAL   41   5.16 +/- 0.95  10.682% *  0.0867% (0.31  1.00   0.02   0.02) =   0.011%
        T HB2   LEU   80 - QG2   VAL   41  11.45 +/- 0.74   0.044% *  2.2492% (0.80 10.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QG2   VAL   41   9.96 +/- 1.28   0.136% *  0.2803% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   VAL   41  10.49 +/- 1.10   0.083% *  0.1929% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   VAL   41  10.97 +/- 0.92   0.059% *  0.2711% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   41   9.28 +/- 1.03   0.159% *  0.0625% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   41  11.13 +/- 0.77   0.051% *  0.1704% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   41  12.43 +/- 0.61   0.025% *  0.2346% (0.84  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   41  13.20 +/- 1.64   0.020% *  0.1817% (0.65  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   VAL   41  14.99 +/- 0.86   0.008% *  0.2753% (0.98  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  13.67 +/- 0.85   0.015% *  0.1367% (0.49  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  15.29 +/- 1.78   0.010% *  0.0433% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 1 structures by 0.26 A, kept.
 
    Peak 2574 (8.98, 0.55, 21.65 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QG2   VAL   41  11.08 +/- 0.68 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 2.95 A violated in 20 structures by 8.13 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.5, residual support = 73.9:
      O   HN    VAL   41 - HB    VAL   41   2.87 +/- 0.34 100.000% *100.0000% (0.47  10.0   4.50  73.90) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.978, support = 2.71, residual support = 28.7:
          HN    LEU   98 - QG1   VAL   41   4.08 +/- 1.16  76.595% * 98.5936% (0.98   2.72  28.75) =  99.737%  kept
          HN    LEU   98 - QD2   LEU  104   5.57 +/- 1.01  23.281% *  0.8521% (0.05   0.44   8.33) =   0.262%
          HN    LEU   98 - QG2   VAL   18  11.75 +/- 0.80   0.125% *  0.5542% (0.75   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 4 structures by 0.54 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.59, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  11.96 +/- 1.34  56.180% * 34.1212% (0.66   0.02   0.02) =  71.216%  kept
          QE    PHE   59 - HB    VAL   41  13.90 +/- 2.22  28.630% * 12.0603% (0.23   0.02   0.02) =  12.828%  kept
          HN    LYS+  66 - HB    VAL   41  15.73 +/- 0.78  11.551% * 29.5320% (0.57   0.02   0.02) =  12.674%  kept
          HN    LYS+  81 - HB    VAL   41  18.81 +/- 1.04   3.639% * 24.2865% (0.47   0.02   0.02) =   3.283%  kept
    Distance limit 3.61 A violated in 20 structures by 7.10 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.01, residual support = 22.6:
      O   HN    VAL   42 - HA    VAL   41   2.19 +/- 0.00  99.866% * 99.8070% (0.98  10.0   5.01  22.61) = 100.000%  kept
          HN    LEU   73 - HA    VAL   41   6.95 +/- 0.69   0.119% *  0.0998% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HA    VAL   41   9.99 +/- 0.83   0.013% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  13.35 +/- 0.59   0.002% *  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 = 5.07, residual support = 41.3:
      O   HN    VAL   43 - HA    VAL   42   2.20 +/- 0.02 100.000% * 99.9765% (0.90  10.0   5.07  41.31) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  18.51 +/- 1.30   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 = 0.354, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   2.71 +/- 0.94  99.011% * 16.0745% (0.34   0.02   0.02) =  97.533%  kept
          QG2   VAL   83 - QG2   VAL   41   7.82 +/- 0.68   0.644% * 37.7342% (0.80   0.02   0.02) =   1.488%  kept
          QD1   ILE   89 - QG2   VAL   41   8.33 +/- 0.72   0.346% * 46.1912% (0.98   0.02   0.02) =   0.978%  kept
    Distance limit 2.93 A violated in 4 structures by 0.33 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 = 0.695, support = 3.38, residual support = 16.7:
        T HB    VAL   41 - HB    VAL   42   6.14 +/- 0.21   7.820% * 93.1827% (0.84 10.00   4.18  22.61) =  65.853%  kept
          HB2   LEU   71 - HB    VAL   42   4.07 +/- 0.33  87.241% *  4.3246% (0.42  1.00   1.84   5.43) =  34.097%  kept
        T QB    LYS+ 102 - HB    VAL   42  12.41 +/- 1.59   0.429% *  0.6246% (0.56 10.00   0.02   0.02) =   0.024%
          HG2   PRO   93 - HB2   LYS+ 112   8.73 +/- 1.59   2.644% *  0.0591% (0.53  1.00   0.02   0.02) =   0.014%
          QB    LYS+  66 - HB    VAL   42   9.83 +/- 0.94   0.550% *  0.0963% (0.87  1.00   0.02   0.02) =   0.005%
          HG12  ILE  103 - HB    VAL   42  10.81 +/- 1.10   0.304% *  0.0838% (0.75  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HB2   LYS+ 112  11.20 +/- 2.00   0.537% *  0.0413% (0.37  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB    VAL   42  11.19 +/- 0.59   0.227% *  0.0508% (0.46  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB    VAL   42  14.75 +/- 2.22   0.065% *  0.0586% (0.53  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   LYS+ 112  14.73 +/- 1.63   0.051% *  0.0680% (0.61  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   LYS+ 112  14.58 +/- 1.64   0.061% *  0.0413% (0.37  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   42  16.46 +/- 0.91   0.023% *  0.0838% (0.75  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LYS+ 112  23.19 +/- 1.18   0.003% *  0.6576% (0.59 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.91 +/- 0.85   0.003% *  0.4408% (0.40 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   LYS+ 112  16.06 +/- 1.91   0.031% *  0.0359% (0.32  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB    VAL   42  21.06 +/- 0.97   0.005% *  0.0586% (0.53  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LYS+ 112  21.77 +/- 0.96   0.004% *  0.0591% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   LYS+ 112  23.61 +/- 2.01   0.002% *  0.0332% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 5 structures by 0.81 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.23, residual support = 86.2:
          HN    VAL   42 - QG2   VAL   42   3.17 +/- 0.27  89.731% * 77.8882% (0.64   5.35  88.74) =  97.109%  kept
          HN    LEU   73 - QG2   VAL   42   5.05 +/- 0.82   9.558% * 21.7567% (0.64   1.49   1.40) =   2.889%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.65 +/- 0.84   0.327% *  0.2914% (0.64   0.02   0.02) =   0.001%
          HN    ILE   19 - QG2   VAL   42   7.85 +/- 0.64   0.385% *  0.0637% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.14, residual support = 41.3:
          HN    VAL   43 - QG2   VAL   42   3.66 +/- 0.26 100.000% *100.0000% (0.72   5.14  41.31) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.962, support = 3.99, residual support = 88.2:
      O T HA    VAL   42 - QG1   VAL   42   2.62 +/- 0.21  86.485% * 91.4867% (0.97  10.0 10.00   4.00  88.74) =  99.332%  kept
          HA    THR   46 - QB    ALA   47   3.82 +/- 0.10   9.701% *  5.4609% (0.44   1.0  1.00   2.63  12.67) =   0.665%  kept
          HA    GLN   90 - QB    ALA   47   5.78 +/- 1.43   3.525% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   17 - QG1   VAL   42   8.12 +/- 0.74   0.118% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.001%
        T HA    PHE   55 - QB    ALA   47   9.46 +/- 0.86   0.054% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.79 +/- 0.17   0.003% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  14.61 +/- 1.47   0.004% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42   9.93 +/- 0.45   0.033% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47   9.54 +/- 1.45   0.057% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  16.89 +/- 0.94   0.001% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  13.50 +/- 0.50   0.005% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  12.65 +/- 1.87   0.010% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  13.73 +/- 0.77   0.005% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  26.16 +/- 0.45   0.000% *  0.0479% (0.51   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 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 1.97, residual support = 6.12:
          QD    PHE   60 - QG1   VAL   42   4.50 +/- 1.25  72.376% * 89.8752% (0.93   2.00   6.23) =  98.170%  kept
          QE    PHE   59 - QG1   VAL   42   7.01 +/- 2.07  17.732% *  6.4326% (0.33   0.40   0.02) =   1.721%  kept
          HN    LYS+  66 - QG1   VAL   42   7.93 +/- 0.74   5.025% *  0.7779% (0.81   0.02   0.02) =   0.059%
          QD    PHE   60 - QB    ALA   47   9.02 +/- 1.23   3.385% *  0.7761% (0.80   0.02   0.02) =   0.040%
          HN    LYS+  81 - QB    ALA   47  10.45 +/- 1.04   0.705% *  0.5524% (0.57   0.02   0.02) =   0.006%
          QE    PHE   59 - QB    ALA   47  11.60 +/- 1.98   0.671% *  0.2743% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  81 - QG1   VAL   42  15.20 +/- 0.50   0.069% *  0.6397% (0.66   0.02   0.02) =   0.001%
          HN    LYS+  66 - QB    ALA   47  17.67 +/- 1.03   0.038% *  0.6718% (0.70   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 11 structures by 1.29 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 3.87, residual support = 59.1:
          HN    VAL   42 - QG1   VAL   42   3.54 +/- 0.16  23.340% * 85.2578% (0.77   5.42  88.74) =  66.099%  kept
          HN    LEU   73 - QG1   VAL   42   2.83 +/- 0.69  75.687% * 13.4832% (0.77   0.86   1.40) =  33.898%  kept
          HN    ILE   19 - QG1   VAL   42   6.09 +/- 0.63   0.829% *  0.0689% (0.17   0.02   0.02) =   0.002%
          HN    LYS+ 106 - QG1   VAL   42   9.25 +/- 0.69   0.122% *  0.3149% (0.77   0.02   0.02) =   0.001%
          HN    LEU   73 - QB    ALA   47  13.05 +/- 0.51   0.010% *  0.2719% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  15.40 +/- 0.59   0.003% *  0.2719% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  16.03 +/- 0.27   0.003% *  0.2719% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  14.30 +/- 0.66   0.006% *  0.0595% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 5.14, residual support = 41.3:
          HN    VAL   43 - QG1   VAL   42   2.79 +/- 0.22  99.973% * 99.3957% (0.40   5.14  41.31) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  13.12 +/- 0.18   0.010% *  0.3339% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  13.31 +/- 0.76   0.010% *  0.1451% (0.15   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  13.95 +/- 0.97   0.007% *  0.1253% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.432, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   8.45 +/- 0.72  98.852% * 53.6601% (0.43   0.02   0.02) =  99.007%  kept
          HN    LEU  104 - QB    ALA   47  18.10 +/- 0.55   1.148% * 46.3399% (0.37   0.02   0.02) =   0.993%  kept
    Distance limit 3.69 A violated in 20 structures by 4.74 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.74, residual support = 16.1:
          HN    TRP   49 - QB    ALA   47   2.74 +/- 0.28  99.488% * 95.0725% (0.29   3.74  16.09) =  99.995%  kept
          HE22  GLN   30 - QG1   VAL   42   7.49 +/- 1.15   0.396% *  0.9154% (0.53   0.02   0.02) =   0.004%
          HD22  ASN   69 - QG1   VAL   42   9.46 +/- 1.03   0.110% *  1.0530% (0.61   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    ALA   47  16.18 +/- 1.04   0.003% *  1.1952% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.92 +/- 0.57   0.003% *  0.3891% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  22.75 +/- 1.03   0.000% *  1.3748% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.389, support = 2.36, residual support = 11.0:
      O   HN    ALA   47 - QB    ALA   47   2.44 +/- 0.12  97.414% * 99.5113% (0.39  10.0   2.36  11.01) =  99.995%  kept
          QD    PHE   95 - QG1   VAL   42   4.86 +/- 0.72   2.533% *  0.1789% (0.70   1.0   0.02   1.48) =   0.005%
          QD    PHE   95 - QB    ALA   47   8.87 +/- 0.59   0.045% *  0.2336% (0.91   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.92 +/- 0.44   0.007% *  0.0762% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.609, support = 4.17, residual support = 36.4:
          HB    VAL   42 - QG1   VAL   43   5.01 +/- 0.30  12.052% * 66.1055% (0.62  1.00   4.73  41.31) =  84.566%  kept
        T HB3   LEU   73 - QG1   VAL   43   5.24 +/- 1.47  27.771% *  3.1123% (0.69 10.00   0.02   7.87) =   9.174%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.91 +/- 0.25   1.566% * 27.7804% (0.34  1.00   3.64  15.15) =   4.617%  kept
          HG    LEU   98 - QG1   VAL   43   4.12 +/- 1.21  56.455% *  0.2635% (0.58  1.00   0.02   0.02) =   1.579%  kept
          HG3   LYS+ 106 - QG1   VAL   43   8.07 +/- 0.72   0.828% *  0.3852% (0.85  1.00   0.02   0.02) =   0.034%
          QB    ALA   84 - QG1   VAL   43   8.74 +/- 0.63   0.373% *  0.3112% (0.69  1.00   0.02   0.02) =   0.012%
          HG3   LYS+  33 - QG1   VAL   43   9.99 +/- 0.74   0.179% *  0.2470% (0.54  1.00   0.02   0.02) =   0.005%
          HG3   LYS+ 102 - QG1   VAL   43  10.86 +/- 1.08   0.118% *  0.3261% (0.72  1.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - QG1   VAL   43   8.99 +/- 1.02   0.365% *  0.0806% (0.18  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QG1   VAL   43  11.42 +/- 0.77   0.081% *  0.3261% (0.72  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - QG1   VAL   43  10.29 +/- 0.98   0.155% *  0.1132% (0.25  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG1   VAL   43  14.38 +/- 0.93   0.024% *  0.2797% (0.62  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QG1   VAL   43  15.47 +/- 1.78   0.015% *  0.2143% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QG1   VAL   43  17.37 +/- 0.91   0.007% *  0.3533% (0.78  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  16.58 +/- 1.81   0.012% *  0.1015% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 1 structures by 0.21 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.28, support = 1.68, residual support = 7.22:
        T HH2   TRP   27 - QG1   VAL   43   2.40 +/- 0.69  70.636% * 47.7395% (0.31 10.00   1.34   7.22) =  68.725%  kept
        T HZ3   TRP   27 - QG1   VAL   43   2.88 +/- 0.75  29.364% * 52.2605% (0.22 10.00   2.44   7.22) =  31.275%  kept
    Distance limit 2.90 A violated in 1 structures by 0.07 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.36, residual support = 61.0:
          HN    VAL   43 - QG1   VAL   43   2.42 +/- 0.33 100.000% *100.0000% (0.80   5.36  60.98) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.382, support = 3.64, residual support = 15.2:
          HN    ASP-  44 - QG2   VAL   43   2.98 +/- 0.27  84.259% * 82.2002% (0.39   3.71  15.15) =  96.790%  kept
          HN    ASN   28 - QD2   LEU   31   4.38 +/- 0.67  14.251% * 16.0755% (0.18   1.55  17.46) =   3.201%  kept
          HN    ASN   28 - QG2   VAL   43   6.99 +/- 0.53   0.654% *  0.7230% (0.63   0.02   0.02) =   0.007%
          HN    ASP-  44 - QD2   LEU   31   7.39 +/- 0.71   0.487% *  0.1272% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  25 - QG2   VAL   43   9.43 +/- 0.47   0.098% *  0.4121% (0.36   0.02   0.02) =   0.001%
          HN    GLU-  25 - QD2   LEU   31   8.21 +/- 0.65   0.230% *  0.1182% (0.10   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  13.85 +/- 0.59   0.009% *  0.2672% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  13.31 +/- 1.25   0.014% *  0.0767% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.25, residual support = 61.0:
      O   HN    VAL   43 - HB    VAL   43   2.91 +/- 0.25 100.000% *100.0000% (0.87  10.0   4.25  60.98) = 100.000%  kept
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 16.4:
          HN    MET   96 - HB    VAL   43   3.31 +/- 0.45 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 3.67 A violated in 1 structures by 0.05 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.41, residual support = 19.2:
        T QD    PHE   45 - HB3   ASP-  44   4.49 +/- 0.06 100.000% *100.0000% (0.80 10.00   4.41  19.16) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.73 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.71, residual support = 37.8:
      O   HN    ASP-  44 - HB3   ASP-  44   3.60 +/- 0.17  99.963% * 99.8560% (0.98  10.0   3.71  37.79) = 100.000%  kept
          HN    ASN   28 - HB3   ASP-  44  14.39 +/- 0.69   0.025% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   ASP-  44  16.40 +/- 0.80   0.012% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.14, residual support = 6.15:
          HA    LYS+  74 - HB2   ASP-  44   3.21 +/- 0.50  99.914% * 92.4998% (0.92  1.00   2.14   6.15) =  99.993%  kept
        T HA    MET   92 - HB2   ASP-  44  12.22 +/- 1.07   0.086% *  7.5002% (0.80 10.00   0.02   0.02) =   0.007%
    Distance limit 3.89 A violated in 0 structures by 0.04 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   2.57 +/- 0.26  99.991% * 99.8560% (0.98  10.0   3.03  37.79) = 100.000%  kept
          HN    ASN   28 - HB2   ASP-  44  13.26 +/- 0.66   0.006% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   ASP-  44  15.41 +/- 0.68   0.002% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.5, support = 3.9, residual support = 28.8:
      O   HN    ASP-  44 - HA    ASP-  44   2.91 +/- 0.00  19.130% * 81.9551% (0.80  10.0   3.77  37.79) =  51.963%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.29 +/- 0.01  80.861% * 17.9245% (0.18  10.0   4.04  19.16) =  48.037%  kept
          HN    ALA  110 - HA    ASP-  44  11.22 +/- 1.78   0.008% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  15.72 +/- 0.55   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 = 4.6:
          HA    PHE   95 - HA    ASP-  44   2.72 +/- 0.42 100.000% *100.0000% (0.87   2.00   4.60) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.0:
        T HB    THR   94 - HB2   PHE   45   2.65 +/- 0.43  99.807% * 98.9931% (0.65 10.00   2.96  27.03) = 100.000%  kept
          QB    SER   48 - HB2   PHE   45  10.25 +/- 0.81   0.046% *  0.1169% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PHE   45  10.84 +/- 0.57   0.032% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45  10.80 +/- 1.19   0.044% *  0.0522% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45   9.96 +/- 0.65   0.055% *  0.0268% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.81 +/- 0.55   0.008% *  0.0745% (0.49  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  18.44 +/- 0.96   0.001% *  0.1413% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  14.97 +/- 1.11   0.004% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  19.12 +/- 0.84   0.001% *  0.1448% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.45 +/- 0.87   0.001% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.15 +/- 1.13   0.001% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  20.00 +/- 0.63   0.001% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 1.83, residual support = 8.43:
          QG2   THR   77 - HB2   PHE   45   3.82 +/- 0.55  96.682% * 94.3272% (0.45   1.83   8.43) =  99.969%  kept
          QG2   ILE   56 - HB2   PHE   45   8.26 +/- 2.19   2.124% *  1.0282% (0.45   0.02   0.02) =   0.024%
          QB    ALA   88 - HB2   PHE   45   8.66 +/- 0.64   1.059% *  0.3539% (0.15   0.02   0.02) =   0.004%
          QG2   THR   23 - HB2   PHE   45  12.85 +/- 0.52   0.086% *  2.1695% (0.95   0.02   0.02) =   0.002%
          QB    ALA   34 - HB2   PHE   45  14.31 +/- 0.33   0.048% *  1.4836% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB2   PHE   45  24.15 +/- 1.00   0.002% *  0.6377% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 2 structures by 0.29 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 11.1:
        T QG2   ILE   89 - HB2   PHE   45   2.77 +/- 0.60  99.728% * 99.8023% (1.00 10.00   0.75  11.12) = 100.000%  kept
          QG1   VAL   83 - HB2   PHE   45   8.35 +/- 0.72   0.261% *  0.1510% (0.57  1.00   0.02   2.54) =   0.000%
          QD1   LEU  104 - HB2   PHE   45  14.78 +/- 1.27   0.010% *  0.0467% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 8.43:
          QG2   THR   77 - HB3   PHE   45   2.74 +/- 0.49  99.618% * 96.7442% (0.87   2.25   8.43) =  99.998%  kept
          QB    ALA   88 - HB3   PHE   45   8.87 +/- 0.57   0.156% *  0.9826% (0.99   0.02   0.02) =   0.002%
          HB3   LEU   80 - HB3   PHE   45   8.28 +/- 1.36   0.213% *  0.1962% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   PHE   45  16.04 +/- 1.70   0.008% *  0.3721% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  15.97 +/- 0.59   0.004% *  0.3060% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  20.55 +/- 0.73   0.001% *  0.6413% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  24.72 +/- 0.50   0.000% *  0.7576% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 11.1:
        T QG2   ILE   89 - HB3   PHE   45   2.55 +/- 0.58 100.000% *100.0000% (0.69 10.00   0.75  11.12) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.22, residual support = 80.4:
      O   QD    PHE   45 - HB2   PHE   45   2.64 +/- 0.09  99.996% * 99.6976% (0.65  10.0   4.22  80.43) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  15.62 +/- 1.20   0.003% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  19.00 +/- 1.78   0.001% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  20.58 +/- 1.33   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.68, residual support = 80.4:
      O   HN    PHE   45 - HB2   PHE   45   2.54 +/- 0.26  99.463% * 99.8082% (0.73  10.0   3.68  80.43) = 100.000%  kept
          HN    ASP-  44 - HB2   PHE   45   6.30 +/- 0.24   0.473% *  0.0306% (0.22   1.0   0.02  19.16) =   0.000%
          HN    ALA  110 - HB2   PHE   45   9.84 +/- 1.37   0.062% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  15.33 +/- 0.64   0.003% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.93, residual support = 80.4:
      O   QD    PHE   45 - HB3   PHE   45   2.30 +/- 0.08  99.999% * 99.6976% (0.65  10.0   4.93  80.43) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  16.87 +/- 1.06   0.001% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  20.28 +/- 1.82   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  20.55 +/- 1.37   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.01, residual support = 80.4:
      O   HN    PHE   45 - HB3   PHE   45   3.57 +/- 0.27  97.401% * 99.8082% (0.73  10.0   4.01  80.43) =  99.999%  kept
          HN    ASP-  44 - HB3   PHE   45   6.67 +/- 0.12   2.438% *  0.0306% (0.22   1.0   0.02  19.16) =   0.001%
          HN    ALA  110 - HB3   PHE   45  11.05 +/- 1.54   0.134% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   PHE   45  14.29 +/- 0.78   0.028% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 1.2, residual support = 3.94:
          HA    ASP-  76 - QG2   THR   46   3.48 +/- 1.16 100.000% *100.0000% (0.41   1.20   3.94) = 100.000%  kept
    Distance limit 3.28 A violated in 6 structures by 0.57 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   2.59 +/- 0.34  99.391% * 97.6985% (0.76   3.39  34.51) =  99.996%  kept
          HN    LYS+  74 - QG2   THR   46   6.72 +/- 0.54   0.433% *  0.7550% (1.00   0.02   0.14) =   0.003%
          HN    MET   92 - QG2   THR   46   8.17 +/- 0.75   0.167% *  0.4274% (0.57   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   46  13.44 +/- 1.34   0.009% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  25.40 +/- 1.79   0.000% *  0.6306% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 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   3.24 +/- 0.59  95.662% * 97.9534% (0.25   3.21  12.67) =  99.905%  kept
          QD    PHE   95 - QG2   THR   46   6.88 +/- 1.21   4.338% *  2.0466% (0.84   0.02   0.02) =   0.095%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.297, support = 0.681, residual support = 0.227:
          QB    CYS   50 - QG2   THR   46   4.89 +/- 1.35  22.161% * 75.8900% (0.31   0.99   0.28) =  61.308%  kept
          QE    LYS+  74 - QG2   THR   46   3.23 +/- 1.02  77.562% * 13.6696% (0.28   0.20   0.14) =  38.650%  kept
          HB2   PHE   72 - QG2   THR   46   9.80 +/- 1.02   0.203% *  4.9705% (1.00   0.02   0.02) =   0.037%
          HA    ALA   64 - QG2   THR   46  11.65 +/- 1.09   0.070% *  2.0480% (0.41   0.02   0.02) =   0.005%
          HB3   ASN   69 - QG2   THR   46  18.97 +/- 0.97   0.003% *  3.4219% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.12 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 = 9.36:
      O   HN    SER   48 - HA    SER   48   2.77 +/- 0.05  99.996% * 99.9333% (0.49  10.0   2.61   9.36) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  15.06 +/- 1.00   0.004% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  24.71 +/- 0.78   0.000% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 2.49, residual support = 9.36:
      O   HN    SER   48 - QB    SER   48   2.31 +/- 0.19  99.996% * 99.9496% (0.95  10.0   2.49   9.36) = 100.000%  kept
          HN    SER   48 - QB    SER   85  13.23 +/- 1.41   0.004% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  20.96 +/- 1.50   0.000% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2621 (6.63, 3.69, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.99, residual support = 74.6:
      O   HN    TRP   49 - HB2   TRP   49   2.77 +/- 0.44  86.546% * 99.8654% (0.95  10.0   3.99  74.62) =  99.997%  kept
          HN    CYS   50 - HB2   TRP   49   4.01 +/- 0.41  13.453% *  0.0163% (0.15   1.0   0.02   2.84) =   0.003%
          HE22  GLN   30 - HB2   TRP   49  23.64 +/- 1.50   0.000% *  0.0975% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  32.05 +/- 1.30   0.000% *  0.0209% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2622 (7.36, 3.69, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.8, residual support = 74.6:
      O   HD1   TRP   49 - HB2   TRP   49   2.99 +/- 0.26  99.993% * 99.6923% (0.80  10.0   3.80  74.62) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  16.08 +/- 0.99   0.005% *  0.1149% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  18.80 +/- 1.26   0.002% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  26.44 +/- 0.86   0.000% *  0.0558% (0.45   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  33.19 +/- 1.47   0.000% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.781, support = 3.98, residual support = 73.6:
      O   HN    TRP   49 - HB3   TRP   49   3.45 +/- 0.28  67.018% * 97.0878% (0.79  10.0   3.99  74.62) =  98.602%  kept
          HN    CYS   50 - HB3   TRP   49   3.93 +/- 0.41  32.981% *  2.7971% (0.13   1.0   3.53   2.84) =   1.398%  kept
          HE22  GLN   30 - HB3   TRP   49  24.14 +/- 1.42   0.001% *  0.0947% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  32.00 +/- 1.29   0.000% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 3.8, residual support = 74.6:
      O   HD1   TRP   49 - HB3   TRP   49   3.81 +/- 0.21  99.978% * 99.6923% (0.67  10.0   3.80  74.62) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  16.66 +/- 1.00   0.015% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  19.59 +/- 1.19   0.006% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  26.21 +/- 1.02   0.001% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  33.77 +/- 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 0.42 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 0.02, residual support = 3.46:
          HB2   PRO   52 - HB3   TRP   49   8.86 +/- 1.56  98.746% * 45.9163% (0.72   0.02   3.49) =  99.217%  kept
          HB2   ASP-  62 - HB3   TRP   49  21.16 +/- 1.14   0.677% * 45.9163% (0.72   0.02   0.02) =   0.680%  kept
          HG2   MET   96 - HB3   TRP   49  22.28 +/- 0.94   0.577% *  8.1674% (0.13   0.02   0.02) =   0.103%
    Distance limit 3.79 A violated in 20 structures by 5.06 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.477, support = 0.0199, residual support = 0.0199:
          HB3   PHE   45 - HB3   TRP   49  12.77 +/- 0.60  43.730% * 16.1708% (0.47   0.02   0.02) =  44.284%  kept
          QG    GLU-  79 - HB3   TRP   49  14.09 +/- 1.60  28.892% * 13.9029% (0.41   0.02   0.02) =  25.154%  kept
          QE    LYS+ 112 - HB3   TRP   49  15.10 +/- 2.62  22.466% * 16.1708% (0.47   0.02   0.02) =  22.751%  kept
          HB    VAL  107 - HB3   TRP   49  18.88 +/- 1.47   4.318% * 27.0190% (0.79   0.02   0.02) =   7.306%  kept
          QG    GLN   32 - HB3   TRP   49  29.40 +/- 1.25   0.304% * 22.8711% (0.67   0.02   0.02) =   0.435%
          HG2   GLU-  29 - HB3   TRP   49  29.54 +/- 1.16   0.291% *  3.8655% (0.11   0.02   0.02) =   0.070%
    Distance limit 3.85 A violated in 20 structures by 7.14 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.51, residual support = 6.76:
          QB    ALA   47 - QB    CYS   50   3.91 +/- 0.41  95.474% * 98.7857% (0.65   3.51   6.76) =  99.990%  kept
          HG2   LYS+ 112 - QB    CYS   50  13.08 +/- 2.67   4.344% *  0.1937% (0.22   0.02   0.02) =   0.009%
          QB    ALA   64 - QB    CYS   50  12.60 +/- 1.59   0.102% *  0.5628% (0.65   0.02   0.02) =   0.001%
          QG1   VAL   42 - QB    CYS   50  12.91 +/- 1.16   0.080% *  0.4577% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 1 structures by 0.41 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 1.52, residual support = 7.92:
        T HB2   CYS   53 - QB    CYS   50   3.41 +/- 0.62  78.579% * 89.6279% (1.00 10.00   1.50   8.16) =  97.065%  kept
          HD3   PRO   52 - QB    CYS   50   5.13 +/- 1.42  21.086% * 10.0970% (0.73  1.00   2.32   0.02) =   2.934%  kept
          HD2   PRO   58 - QB    CYS   50   9.19 +/- 1.51   0.324% *  0.0583% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYS   50  16.88 +/- 0.82   0.006% *  0.0492% (0.41  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  21.56 +/- 1.63   0.001% *  0.0959% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  18.06 +/- 0.87   0.004% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  26.50 +/- 1.37   0.000% *  0.0450% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.799, support = 1.22, residual support = 7.19:
      O   HN    CYS   50 - QB    CYS   50   2.92 +/- 0.18  93.708% * 85.6731% (0.80  10.0   1.20   7.24) =  98.899%  kept
          HN    TRP   49 - QB    CYS   50   4.66 +/- 0.24   6.286% * 14.2218% (0.65   1.0   2.47   2.84) =   1.101%  kept
          HN    VAL   83 - QB    CYS   50  15.86 +/- 0.88   0.004% *  0.0607% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  18.38 +/- 1.82   0.002% *  0.0444% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.1:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.986% * 97.0144% (0.87  10.0 10.00   2.81  10.11) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   8.28 +/- 0.96   0.013% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  18.99 +/- 1.35   0.000% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  14.23 +/- 1.05   0.000% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  19.37 +/- 1.34   0.000% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  16.12 +/- 1.10   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  24.37 +/- 1.21   0.000% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  23.22 +/- 1.37   0.000% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  26.45 +/- 1.32   0.000% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  26.63 +/- 1.62   0.000% *  0.0724% (0.65   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 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.971, support = 1.92, residual support = 18.4:
          HD3   PRO   93 - HB2   PRO   52   4.51 +/- 2.61  58.272% * 10.8335% (0.98   0.63   0.53) =  43.464%  kept
          HB3   CYS   53 - HB2   PRO   52   5.66 +/- 0.70   6.236% * 78.0333% (0.99   4.50  54.10) =  33.506%  kept
          QB    PHE   55 - HB2   PRO   52   4.47 +/- 0.31  34.633% *  9.6508% (0.92   0.60   0.33) =  23.012%  kept
          HD2   ARG+  54 - HB2   PRO   52   9.03 +/- 0.80   0.613% *  0.3377% (0.97   0.02   1.76) =   0.014%
          HB2   PHE   59 - HB2   PRO   52  11.46 +/- 1.83   0.168% *  0.2404% (0.69   0.02   0.02) =   0.003%
          HD3   PRO   93 - HG2   MET   96  15.09 +/- 0.64   0.024% *  0.1008% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  15.29 +/- 1.33   0.023% *  0.0706% (0.20   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  16.77 +/- 1.11   0.010% *  0.1019% (0.29   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  17.34 +/- 0.83   0.010% *  0.0949% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  18.53 +/- 1.12   0.007% *  0.0992% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  25.16 +/- 1.48   0.001% *  0.3377% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  23.08 +/- 1.49   0.002% *  0.0992% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.404, support = 1.07, residual support = 5.44:
        T HD3   PRO   93 - HB3   PRO   52   4.93 +/- 1.46  45.845% * 64.4096% (0.41 10.00   0.71   0.53) =  83.587%  kept
          HB3   CYS   53 - HB3   PRO   52   6.04 +/- 0.99  12.559% * 25.8625% (0.25  1.00   4.71  54.10) =   9.195%  kept
          QB    PHE   55 - HB3   PRO   52   4.62 +/- 0.44  40.272% *  6.3081% (0.53  1.00   0.54   0.33) =   7.191%  kept
        T HD2   ARG+  54 - HB3   PRO   52   8.95 +/- 0.92   0.988% *  0.8711% (0.20 10.00   0.02   1.76) =   0.024%
          HB2   PHE   59 - HB3   PRO   52  12.05 +/- 1.67   0.234% *  0.3525% (0.80  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HB3   PRO   52  25.86 +/- 1.33   0.001% *  1.9734% (0.45 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  19.83 +/- 2.16   0.009% *  0.0999% (0.02 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - QB    LYS+  81  15.14 +/- 1.29   0.033% *  0.0208% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  14.56 +/- 1.36   0.042% *  0.0126% (0.03  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  17.52 +/- 0.99   0.013% *  0.0266% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  20.56 +/- 0.99   0.005% *  0.0404% (0.09  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  27.48 +/- 0.98   0.001% *  0.0226% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.686, support = 0.423, residual support = 0.0353:
          HB3   LEU  115 - HB2   PRO   52  10.95 +/- 2.54   6.555% * 54.3833% (0.84   0.48   0.02) =  73.274%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.03 +/- 1.42   2.907% * 21.5980% (0.29   0.54   0.14) =  12.906%  kept
          QB    ALA  110 - HB2   PRO   52   5.99 +/- 2.83  68.364% *  0.7567% (0.28   0.02   0.02) =  10.633%  kept
          HG    LEU  115 - HB2   PRO   52  10.80 +/- 2.64   7.767% *  0.7567% (0.28   0.02   0.02) =   1.208%  kept
          HG    LEU   73 - HG2   MET   96  10.47 +/- 1.04   4.049% *  0.7715% (0.28   0.02   0.02) =   0.642%  kept
          HG    LEU   40 - HG2   MET   96   9.92 +/- 1.04   4.108% *  0.6678% (0.25   0.02   0.02) =   0.564%  kept
          QB    ALA   61 - HB2   PRO   52  13.04 +/- 0.90   1.037% *  1.3247% (0.49   0.02   0.02) =   0.282%
          HB3   LEU  115 - HG2   MET   96  13.93 +/- 1.02   0.654% *  0.6678% (0.25   0.02   0.02) =   0.090%
          HG    LEU   80 - HG2   MET   96  12.97 +/- 0.98   0.970% *  0.2467% (0.09   0.02   0.02) =   0.049%
          QB    ALA  110 - HG2   MET   96  13.30 +/- 0.97   0.973% *  0.2223% (0.08   0.02   0.02) =   0.044%
          QG    LYS+  66 - HB2   PRO   52  19.15 +/- 2.20   0.086% *  2.2732% (0.84   0.02   0.02) =   0.040%
          QB    ALA  120 - HB2   PRO   52  16.97 +/- 1.95   0.245% *  0.7567% (0.28   0.02   0.02) =   0.038%
          HG    LEU   67 - HG2   MET   96  15.84 +/- 1.65   0.295% *  0.5805% (0.21   0.02   0.02) =   0.035%
          HB3   LEU   67 - HG2   MET   96  15.61 +/- 1.71   0.326% *  0.5172% (0.19   0.02   0.02) =   0.035%
          QB    ALA   61 - HG2   MET   96  15.22 +/- 0.58   0.320% *  0.3891% (0.14   0.02   0.02) =   0.026%
          HG    LEU   73 - HB2   PRO   52  20.91 +/- 1.61   0.043% *  2.6264% (0.97   0.02   0.02) =   0.023%
          QG    LYS+  66 - HG2   MET   96  17.10 +/- 1.70   0.168% *  0.6678% (0.25   0.02   0.02) =   0.023%
          QB    ALA  120 - HG2   MET   96  14.92 +/- 0.86   0.385% *  0.2223% (0.08   0.02   0.02) =   0.018%
          HG    LEU  115 - HG2   MET   96  15.12 +/- 1.52   0.355% *  0.2223% (0.08   0.02   0.02) =   0.016%
          HG    LEU   80 - HB2   PRO   52  19.38 +/- 1.38   0.067% *  0.8400% (0.31   0.02   0.02) =   0.012%
          HG    LEU   67 - HB2   PRO   52  23.38 +/- 2.25   0.027% *  1.9762% (0.73   0.02   0.02) =   0.011%
          HG    LEU   40 - HB2   PRO   52  23.65 +/- 2.22   0.018% *  2.2732% (0.84   0.02   0.02) =   0.009%
          HB3   LEU   67 - HB2   PRO   52  23.40 +/- 1.83   0.023% *  1.7605% (0.65   0.02   0.02) =   0.008%
          HG12  ILE   19 - HG2   MET   96  16.76 +/- 1.34   0.223% *  0.1780% (0.07   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HB2   PRO   52  28.33 +/- 2.40   0.007% *  2.7154% (1.00   0.02   0.02) =   0.004%
          HG12  ILE   19 - HB2   PRO   52  23.72 +/- 1.19   0.027% *  0.6059% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.09 A violated in 14 structures by 2.03 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 = 0.643, support = 0.0199, residual support = 0.352:
          HB3   PRO   93 - HD2   PRO   52   8.37 +/- 1.27  73.445% *  5.3763% (0.65  1.00   0.02   0.53) =  64.961%  kept
          QB    ALA   84 - HD2   PRO   52  11.77 +/- 1.04  11.042% *  5.7087% (0.69  1.00   0.02   0.02) =  10.371%  kept
        T QB    ALA   88 - HD2   PRO   52  14.21 +/- 1.70   3.901% * 14.5547% (0.18 10.00   0.02   0.02) =   9.341%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.70 +/- 1.11   6.371% *  8.1462% (0.98  1.00   0.02   0.02) =   8.538%  kept
          HG2   LYS+ 111 - HD2   PRO   52  15.21 +/- 1.11   2.184% *  6.9417% (0.84  1.00   0.02   0.02) =   2.495%  kept
          HB2   LEU   63 - HD2   PRO   52  17.11 +/- 1.42   1.146% *  8.3107% (1.00  1.00   0.02   0.02) =   1.566%  kept
          HB3   LEU   80 - HD2   PRO   52  17.35 +/- 1.52   1.060% *  8.1462% (0.98  1.00   0.02   0.02) =   1.420%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  20.35 +/- 1.26   0.367% * 12.8231% (0.15 10.00   0.02   0.02) =   0.774%  kept
          HG    LEU   98 - HD2   PRO   52  22.55 +/- 1.34   0.212% *  6.6547% (0.80  1.00   0.02   0.02) =   0.232%
          QB    ALA  124 - HD2   PRO   52  25.08 +/- 1.32   0.124% *  7.4533% (0.90  1.00   0.02   0.02) =   0.152%
          HB2   LEU   31 - HD2   PRO   52  26.35 +/- 1.00   0.084% *  7.4533% (0.90  1.00   0.02   0.02) =   0.103%
          HG2   LYS+  99 - HD2   PRO   52  29.14 +/- 1.19   0.046% *  4.7052% (0.57  1.00   0.02   0.02) =   0.035%
          HG2   LYS+  38 - HD2   PRO   52  34.08 +/- 0.93   0.018% *  3.7260% (0.45  1.00   0.02   0.02) =   0.011%
    Distance limit 3.54 A violated in 20 structures by 4.37 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.41, residual support = 223.7:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.990% * 97.1447% (0.80  10.0 10.00   7.41 223.69) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   8.61 +/- 0.84   0.009% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  21.60 +/- 1.27   0.000% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  17.52 +/- 2.27   0.000% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  20.49 +/- 0.85   0.000% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  18.13 +/- 2.23   0.000% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  17.58 +/- 1.68   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  27.02 +/- 0.67   0.000% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  23.55 +/- 0.90   0.000% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.74 +/- 1.04   0.000% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.67 +/- 0.84   0.000% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  26.94 +/- 1.00   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.55 +/- 0.97   0.000% *  0.0544% (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 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 7.41, residual support = 223.7:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.416% * 98.5557% (0.87  10.0 10.00   7.41 223.69) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.31 +/- 0.47   0.583% *  0.0426% (0.38   1.0  1.00   0.02  54.10) =   0.000%
          HA    ILE   89 - HD2   PRO   52  12.70 +/- 1.74   0.001% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  20.77 +/- 1.03   0.000% *  1.0488% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  17.15 +/- 1.74   0.000% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.10 +/- 0.92   0.000% *  0.0910% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  27.84 +/- 0.90   0.000% *  0.0689% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  28.69 +/- 1.24   0.000% *  0.0735% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  31.38 +/- 0.94   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 = 14.0:
      O   HA1   GLY   51 - HD3   PRO   52   2.48 +/- 0.43  99.952% * 97.0168% (0.76  10.0  1.00   3.95  13.98) = 100.000%  kept
          HB    THR   77 - HD3   PRO   52  11.60 +/- 1.62   0.023% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52  11.29 +/- 0.75   0.018% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  15.09 +/- 1.09   0.003% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  17.08 +/- 1.07   0.002% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  25.41 +/- 1.47   0.000% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  18.25 +/- 1.97   0.001% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  30.75 +/- 0.97   0.000% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  21.98 +/- 1.75   0.000% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  38.97 +/- 2.43   0.000% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  36.14 +/- 2.36   0.000% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.19, residual support = 14.0:
      O   HA1   GLY   51 - HD2   PRO   52   3.19 +/- 0.20  99.864% * 92.3448% (0.34  10.0  1.00   5.19  13.98) = 100.000%  kept
          HB    THR   77 - HD2   PRO   52  10.47 +/- 1.38   0.103% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HD2   PRO   52  17.38 +/- 1.59   0.004% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD2   PRO   52  13.55 +/- 1.09   0.019% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  24.14 +/- 1.37   0.001% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  15.92 +/- 1.00   0.007% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  29.25 +/- 0.99   0.000% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  20.92 +/- 1.41   0.001% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  28.52 +/- 1.27   0.000% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  25.43 +/- 1.03   0.000% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  37.49 +/- 2.16   0.000% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  34.67 +/- 2.09   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 0.02 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 223.7:
      O   HG2   PRO   52 - HD3   PRO   52   2.76 +/- 0.26  98.991% * 99.6603% (0.90  10.0   6.60 223.69) = 100.000%  kept
          HG2   MET   92 - HD3   PRO   52   7.47 +/- 2.25   0.996% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HD3   PRO   52  14.79 +/- 1.65   0.005% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.27 +/- 1.43   0.005% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  16.61 +/- 1.11   0.003% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  28.74 +/- 0.81   0.000% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  35.91 +/- 1.29   0.000% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 223.7:
      O   HG3   PRO   52 - HD3   PRO   52   2.45 +/- 0.26  99.948% * 99.3977% (0.97  10.0  1.00   6.60 223.69) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52   9.69 +/- 1.75   0.047% *  0.2038% (0.20   1.0 10.00   0.02   0.53) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  13.76 +/- 1.57   0.005% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  22.55 +/- 1.44   0.000% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  30.09 +/- 1.72   0.000% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  29.62 +/- 1.06   0.000% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  28.25 +/- 0.91   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  40.01 +/- 2.75   0.000% *  0.0924% (0.90   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 = 6.77, residual support = 223.7:
      O   HB3   PRO   52 - HD3   PRO   52   3.74 +/- 0.28  97.251% * 98.5682% (0.57  10.0   6.77 223.69) =  99.996%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.28 +/- 0.50   2.369% *  0.1647% (0.95   1.0   0.02   1.76) =   0.004%
          HB3   GLN   90 - HD3   PRO   52  12.78 +/- 2.23   0.085% *  0.1331% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   PRO   52  10.58 +/- 1.24   0.256% *  0.0434% (0.25   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  15.78 +/- 1.37   0.019% *  0.1196% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  16.91 +/- 1.33   0.012% *  0.1126% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  22.34 +/- 1.26   0.002% *  0.1607% (0.92   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  25.53 +/- 1.77   0.001% *  0.1680% (0.97   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  24.81 +/- 1.97   0.002% *  0.0986% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  27.33 +/- 0.93   0.001% *  0.1454% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  29.03 +/- 1.17   0.001% *  0.1707% (0.98   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  24.58 +/- 1.80   0.001% *  0.0537% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  25.03 +/- 1.25   0.001% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  34.60 +/- 0.96   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.09, residual support = 54.1:
          HN    CYS   53 - HD3   PRO   52   3.67 +/- 0.02  99.988% * 99.3015% (0.61   6.09  54.10) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  17.34 +/- 1.38   0.010% *  0.2016% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  24.99 +/- 0.77   0.001% *  0.3475% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  29.60 +/- 0.91   0.000% *  0.1494% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 3.63, residual support = 14.0:
          HN    GLY   51 - HD3   PRO   52   2.63 +/- 0.71  99.996% * 99.4849% (0.92   3.63  13.98) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  16.82 +/- 1.28   0.004% *  0.5151% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 1.77, residual support = 1.74:
          HN    ARG+  54 - HD2   PRO   52   4.08 +/- 0.23  88.771% * 83.3707% (0.61   1.80   1.76) =  98.065%  kept
          HN    PHE   55 - HD2   PRO   52   5.78 +/- 0.39  11.181% * 13.0556% (0.73   0.23   0.33) =   1.934%  kept
          HN    ASP-  62 - HD2   PRO   52  15.91 +/- 0.76   0.027% *  1.4126% (0.92   0.02   0.02) =   0.001%
          HN    ALA   88 - HD2   PRO   52  17.42 +/- 1.70   0.019% *  0.3816% (0.25   0.02   0.02) =   0.000%
          HN    LEU   31 - HD2   PRO   52  25.35 +/- 1.01   0.002% *  1.4768% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HD2   PRO   52  32.08 +/- 0.91   0.000% *  0.3028% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.2, residual support = 54.1:
          HN    CYS   53 - HD2   PRO   52   2.27 +/- 0.02  99.999% * 99.4797% (0.61   8.20  54.10) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  16.02 +/- 1.31   0.001% *  0.1502% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  23.51 +/- 0.73   0.000% *  0.2589% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  28.03 +/- 0.93   0.000% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.16:
          QB    CYS   50 - HB3   CYS   53   3.85 +/- 0.50  97.247% * 96.8478% (0.92   1.50   8.16) =  99.963%  kept
          QE    LYS+  74 - HB3   CYS   53   7.87 +/- 1.15   2.481% *  1.3233% (0.95   0.02   0.02) =   0.035%
          HB3   ASP-  78 - HB3   CYS   53  11.89 +/- 1.56   0.240% *  0.7920% (0.57   0.02   0.02) =   0.002%
          HB2   PHE   72 - HB3   CYS   53  15.72 +/- 1.88   0.031% *  0.2450% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  25.83 +/- 1.01   0.001% *  0.7920% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.16:
        T QB    CYS   50 - HB2   CYS   53   3.41 +/- 0.62  98.815% * 99.6254% (0.92 10.00   1.50   8.16) =  99.999%  kept
          QE    LYS+  74 - HB2   CYS   53   7.80 +/- 1.04   1.046% *  0.1291% (0.90  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   CYS   53  11.91 +/- 1.33   0.123% *  0.0252% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  15.70 +/- 1.59   0.014% *  0.0815% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  25.87 +/- 0.86   0.001% *  0.1389% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.943, support = 0.0199, residual support = 0.0199:
        T QG2   ILE   56 - HA    CYS   53   3.77 +/- 1.41  96.070% * 41.1882% (0.95 10.00   0.02   0.02) =  99.666%  kept
          QB    ALA   91 - HA    CYS   53   8.25 +/- 0.95   2.823% *  3.9049% (0.90  1.00   0.02   0.02) =   0.278%
          HG2   LYS+  74 - HA    CYS   53  10.46 +/- 1.06   1.013% *  1.4852% (0.34  1.00   0.02   0.02) =   0.038%
        T HG13  ILE   19 - HA    CYS   53  19.46 +/- 1.00   0.017% * 24.6510% (0.57 10.00   0.02   0.02) =   0.011%
        T HG    LEU   71 - HA    CYS   53  21.50 +/- 1.13   0.009% * 13.4389% (0.31 10.00   0.02   0.02) =   0.003%
          QG2   THR   23 - HA    CYS   53  17.74 +/- 0.82   0.035% *  1.9521% (0.45  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    CYS   53  19.80 +/- 0.90   0.015% *  3.4865% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    CYS   53  20.24 +/- 1.39   0.013% *  3.9049% (0.90  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    CYS   53  25.34 +/- 0.92   0.004% *  1.6341% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    CYS   53  30.27 +/- 1.58   0.001% *  4.3541% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 8 structures by 0.88 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 = 44.1:
      O   HN    CYS   53 - HA    CYS   53   2.78 +/- 0.04  99.997% * 99.7861% (0.61  10.0   4.78  44.12) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  16.22 +/- 1.25   0.003% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  22.44 +/- 0.82   0.000% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  25.02 +/- 1.09   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 44.1:
      O   HN    CYS   53 - HB2   CYS   53   2.67 +/- 0.37  99.993% * 99.7861% (0.61  10.0   4.92  44.12) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  14.63 +/- 1.27   0.007% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  21.15 +/- 0.90   0.001% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  24.90 +/- 1.15   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.5, residual support = 32.3:
          HN    ARG+  54 - HB2   CYS   53   3.22 +/- 0.18  93.913% * 98.9871% (0.97   5.50  32.28) =  99.992%  kept
          HN    PHE   55 - HB2   CYS   53   5.10 +/- 0.16   6.052% *  0.1150% (0.31   0.02   0.02) =   0.007%
          HN    ASP-  62 - HB2   CYS   53  12.45 +/- 1.23   0.034% *  0.3526% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  22.52 +/- 1.16   0.001% *  0.3343% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  28.86 +/- 1.10   0.000% *  0.2110% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.36, residual support = 32.3:
          HN    ARG+  54 - HB3   CYS   53   3.74 +/- 0.28  99.896% * 99.1730% (0.87   5.36  32.28) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  12.61 +/- 1.65   0.101% *  0.2243% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  22.31 +/- 1.24   0.003% *  0.1912% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  28.66 +/- 1.25   0.001% *  0.4115% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.67, residual support = 166.1:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.86 +/- 0.16  94.218% * 99.8484% (0.87  10.0 10.00   4.67 166.11) =  99.999%  kept
          QB    ALA   57 - HD2   ARG+  54   5.89 +/- 1.80   5.780% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   ARG+  54  18.69 +/- 1.84   0.002% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  24.09 +/- 1.44   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  26.66 +/- 2.77   0.000% *  0.0516% (0.45   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 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.57, residual support = 166.1:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.925% * 99.6886% (0.87  10.0 10.00   3.57 166.11) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.53 +/- 0.96   0.057% *  0.0559% (0.49   1.0  1.00   0.02   3.53) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   7.97 +/- 0.81   0.014% *  0.0920% (0.80   1.0  1.00   0.02  32.28) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  11.28 +/- 1.31   0.002% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.03 +/- 1.39   0.001% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  24.35 +/- 2.52   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 = 3.57, residual support = 166.1:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.9131% (1.00  10.0 10.00   3.57 166.11) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  20.10 +/- 3.46   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 = 166.1:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.69 +/- 0.30  92.002% * 99.8484% (0.87  10.0 10.00   3.74 166.11) =  99.998%  kept
          QB    ALA   57 - HD3   ARG+  54   5.99 +/- 2.00   7.996% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HD3   ARG+  54  18.80 +/- 2.03   0.001% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  24.10 +/- 1.71   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  26.48 +/- 2.89   0.000% *  0.0516% (0.45   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 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 166.1:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.55 +/- 0.30  99.899% * 97.6350% (0.49  10.0 10.00   3.89 166.11) = 100.000%  kept
          HB    ILE   56 - HD3   ARG+  54   9.95 +/- 0.74   0.036% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54  10.51 +/- 2.56   0.044% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  13.62 +/- 2.29   0.017% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  18.70 +/- 1.67   0.001% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  19.76 +/- 2.26   0.001% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  19.19 +/- 1.11   0.001% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  25.95 +/- 2.42   0.000% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  25.33 +/- 2.80   0.000% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.20 +/- 1.06   0.000% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  26.93 +/- 2.61   0.000% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  27.77 +/- 1.80   0.000% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  34.08 +/- 2.17   0.000% *  0.1852% (0.92   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 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.04, residual support = 166.1:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.36 +/- 0.34  99.883% * 99.0727% (0.73  10.0   4.04 166.11) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  11.94 +/- 1.92   0.087% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  18.20 +/- 1.28   0.005% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  16.97 +/- 1.92   0.012% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  19.35 +/- 1.78   0.003% *  0.1092% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  19.11 +/- 2.85   0.005% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  25.35 +/- 2.80   0.001% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  25.66 +/- 3.01   0.001% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  25.33 +/- 2.55   0.001% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  23.25 +/- 2.67   0.001% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  33.72 +/- 2.09   0.000% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  28.42 +/- 3.13   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 166.1:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.955% * 97.1361% (0.92  10.0 10.00   4.97 166.11) = 100.000%  kept
          HB3   PRO   52 - HG3   ARG+  54   7.64 +/- 1.42   0.035% *  0.0208% (0.20   1.0  1.00   0.02   1.76) =   0.000%
          HB    ILE   56 - HG3   ARG+  54   8.89 +/- 0.93   0.007% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  11.98 +/- 2.12   0.002% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  17.18 +/- 1.30   0.000% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  26.39 +/- 2.39   0.000% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  25.81 +/- 1.98   0.000% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  18.72 +/- 1.81   0.000% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  18.02 +/- 1.24   0.000% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  22.12 +/- 1.77   0.000% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.16 +/- 1.33   0.000% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  26.56 +/- 1.76   0.000% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  24.56 +/- 2.58   0.000% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  33.41 +/- 1.88   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 = 5.13, residual support = 166.1:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.62 +/- 0.21  99.989% * 97.7423% (0.31  10.0   5.13 166.11) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  15.89 +/- 1.93   0.003% *  0.2420% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  17.61 +/- 1.34   0.001% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  19.13 +/- 2.24   0.001% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  17.90 +/- 1.70   0.001% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.99 +/- 1.41   0.003% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  25.01 +/- 2.80   0.000% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  23.13 +/- 1.99   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  25.24 +/- 2.02   0.000% *  0.3104% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  24.60 +/- 2.56   0.000% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  20.53 +/- 2.43   0.001% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  27.64 +/- 2.71   0.000% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  32.83 +/- 2.12   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 = 166.1:
      O   HA    ARG+  54 - HG3   ARG+  54   3.37 +/- 0.62  99.962% * 99.5710% (1.00  10.0   5.75 166.11) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  15.25 +/- 1.58   0.025% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  19.23 +/- 2.02   0.004% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.66 +/- 1.53   0.007% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  28.30 +/- 1.35   0.000% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  26.42 +/- 2.32   0.001% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  29.14 +/- 2.26   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  31.37 +/- 2.57   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  35.41 +/- 2.38   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 166.1:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.69 +/- 0.30  99.997% * 99.9462% (0.76  10.0 10.00   3.74 166.11) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  19.31 +/- 3.19   0.003% *  0.0538% (0.41   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 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 4.66, residual support = 164.6:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.86 +/- 0.16  91.013% * 90.3643% (0.87  10.0 10.00   4.67 166.11) =  99.079%  kept
          QB    PHE   55 - HG3   ARG+  54   5.38 +/- 1.34   8.123% *  9.4042% (0.49   1.0  1.00   3.71   3.53) =   0.920%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.60 +/- 0.66   0.738% *  0.0834% (0.80   1.0  1.00   0.02  32.28) =   0.001%
          HD3   PRO   93 - HG3   ARG+  54   9.62 +/- 1.25   0.096% *  0.0632% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  11.32 +/- 1.15   0.030% *  0.0260% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  24.14 +/- 1.93   0.000% *  0.0590% (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 = 6.46, residual support = 166.1:
          HN    ARG+  54 - HG3   ARG+  54   3.44 +/- 0.60  99.948% * 99.3124% (0.87   6.46 166.11) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  13.52 +/- 1.45   0.051% *  0.1865% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  26.76 +/- 2.44   0.001% *  0.1589% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  32.56 +/- 2.14   0.000% *  0.3421% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 166.1:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  98.408% * 98.1061% (0.87  10.0 10.00   4.97 166.11) =  99.999%  kept
        T HB3   LEU  123 - HG3   PRO   68  11.18 +/- 4.24   0.258% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   ARG+  54   5.12 +/- 1.73   1.334% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  15.03 +/- 1.95   0.000% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  17.56 +/- 1.96   0.000% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  23.05 +/- 1.59   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  25.47 +/- 2.45   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  25.81 +/- 1.98   0.000% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  16.40 +/- 1.03   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  26.59 +/- 2.83   0.000% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.49 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 = 0.137, support = 2.74, residual support = 35.8:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  90.426% * 33.8555% (0.12  10.0  1.00   2.31  35.80) =  83.566%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.66 +/- 0.32   9.545% * 63.0750% (0.22  10.0  1.00   4.90  35.80) =  16.434%  kept
          QB    GLU-  15 - HG3   PRO   68   8.90 +/- 2.10   0.025% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  15.67 +/- 1.98   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  12.58 +/- 2.05   0.001% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  15.74 +/- 1.20   0.000% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  18.42 +/- 2.33   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  13.24 +/- 2.69   0.002% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  14.82 +/- 1.03   0.000% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  24.06 +/- 2.46   0.000% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  19.91 +/- 2.37   0.000% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  16.97 +/- 1.24   0.000% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  22.47 +/- 2.09   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  24.49 +/- 1.86   0.000% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  19.39 +/- 2.41   0.000% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  18.38 +/- 1.28   0.000% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  27.30 +/- 2.73   0.000% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  24.47 +/- 2.72   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  17.75 +/- 1.57   0.000% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  24.74 +/- 1.93   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  17.36 +/- 1.35   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  23.93 +/- 2.87   0.000% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  27.55 +/- 1.34   0.000% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  32.26 +/- 1.80   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 = 0.697, support = 4.67, residual support = 134.6:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.85 +/- 0.16  34.872% * 78.1944% (0.87  10.0 10.00   4.64 166.11) =  75.945%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.57 +/- 0.30  61.846% * 13.6187% (0.15  10.0  1.00   4.77  35.80) =  23.458%  kept
          QB    PHE   55 - HG2   ARG+  54   5.38 +/- 1.32   2.770% *  7.7263% (0.49   1.0  1.00   3.52   3.53) =   0.596%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.32 +/- 0.85   0.448% *  0.0722% (0.80   1.0  1.00   0.02  32.28) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54   9.57 +/- 1.30   0.047% *  0.0547% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.70 +/- 1.13   0.015% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  26.08 +/- 2.22   0.000% *  0.2087% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.12 +/- 1.90   0.001% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  23.41 +/- 1.94   0.000% *  0.0510% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.63 +/- 1.38   0.000% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  24.13 +/- 1.19   0.000% *  0.0193% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  25.27 +/- 1.90   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 = 166.1:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.55 +/- 0.30 100.000% * 99.7339% (0.31  10.0 10.00   3.89 166.11) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  25.95 +/- 2.42   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 = 166.1:
      O T HA    ARG+  54 - HG2   ARG+  54   2.86 +/- 0.62  97.997% * 97.8074% (1.00  10.0 10.00   5.69 166.11) =  99.999%  kept
          HA    ALA  124 - HG3   PRO   68  11.60 +/- 3.86   1.959% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - HG2   ARG+  54  14.82 +/- 1.29   0.014% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  19.16 +/- 2.13   0.002% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  18.02 +/- 2.69   0.006% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  23.26 +/- 1.57   0.001% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  14.88 +/- 1.00   0.010% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  18.31 +/- 1.36   0.004% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  29.83 +/- 1.39   0.000% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  27.59 +/- 1.36   0.000% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.79 +/- 1.32   0.002% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  25.99 +/- 2.22   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  22.38 +/- 1.05   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  20.35 +/- 2.07   0.002% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  20.47 +/- 2.77   0.002% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  28.53 +/- 2.10   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  30.89 +/- 2.69   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  34.81 +/- 2.20   0.000% *  0.0515% (0.53   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 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.34, residual support = 166.1:
          HN    ARG+  54 - HG2   ARG+  54   3.45 +/- 0.36  99.867% * 99.0321% (0.87   6.34 166.11) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.78 +/- 1.58   0.064% *  0.1894% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  12.77 +/- 0.97   0.052% *  0.0505% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  16.18 +/- 1.17   0.011% *  0.0927% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  19.82 +/- 1.08   0.003% *  0.0431% (0.12   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  26.26 +/- 2.36   0.001% *  0.1614% (0.45   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  25.00 +/- 1.21   0.001% *  0.0833% (0.23   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  31.94 +/- 1.97   0.000% *  0.3474% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.955, support = 0.0199, residual support = 0.0199:
          QB    ALA   57 - HB3   ARG+  54   5.25 +/- 1.44  95.653% * 19.4000% (0.97   0.02   0.02) =  96.749%  kept
          HD2   LYS+  74 - HB3   ARG+  54  12.83 +/- 2.36   3.901% * 14.5972% (0.73   0.02   0.02) =   2.969%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  17.26 +/- 1.80   0.198% * 19.7041% (0.98   0.02   0.02) =   0.204%
          QD    LYS+  65 - HB3   ARG+  54  16.27 +/- 1.85   0.169% *  3.5205% (0.18   0.02   0.02) =   0.031%
          HB3   LEU  123 - HB3   ARG+  54  23.23 +/- 1.16   0.026% * 19.4000% (0.97   0.02   0.02) =   0.026%
          QD    LYS+  33 - HB3   ARG+  54  25.92 +/- 2.47   0.013% * 19.4000% (0.97   0.02   0.02) =   0.013%
          HB2   LYS+ 121 - HB3   ARG+  54  21.62 +/- 0.94   0.040% *  3.9782% (0.20   0.02   0.02) =   0.008%
    Distance limit 3.01 A violated in 16 structures by 2.18 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.24, residual support = 166.1:
      O   HN    ARG+  54 - HB3   ARG+  54   2.83 +/- 0.65  99.971% * 99.7769% (0.87  10.0   5.24 166.11) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  13.10 +/- 1.31   0.028% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  26.66 +/- 2.35   0.000% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  32.34 +/- 2.05   0.000% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.38, residual support = 166.1:
      O   HN    ARG+  54 - HB2   ARG+  54   2.71 +/- 0.61  99.961% * 99.6984% (0.87  10.0   6.38 166.11) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  13.20 +/- 1.15   0.020% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  16.44 +/- 2.08   0.007% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  16.05 +/- 1.58   0.006% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  17.83 +/- 1.46   0.003% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  20.64 +/- 3.55   0.002% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  26.58 +/- 2.18   0.000% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  32.31 +/- 1.81   0.000% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  26.61 +/- 1.78   0.000% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  23.48 +/- 2.91   0.001% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  26.76 +/- 1.84   0.000% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  36.44 +/- 2.80   0.000% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.246, support = 1.5, residual support = 30.2:
          QE    PHE   59 - HA    LEU  115   3.57 +/- 1.13  91.438% * 83.3682% (0.25   1.50  30.29) =  99.827%  kept
          QD    PHE   60 - HA    ARG+  54   8.07 +/- 1.36   2.307% *  2.5542% (0.57   0.02   0.02) =   0.077%
          HN    PHE   59 - HA    ARG+  54   7.86 +/- 0.94   1.857% *  1.8547% (0.41   0.02   0.02) =   0.045%
          QD    PHE   60 - HA    LEU  115   8.64 +/- 1.33   2.940% *  0.7859% (0.17   0.02   0.02) =   0.030%
          QE    PHE   59 - HA    ARG+  54  10.92 +/- 1.15   0.200% *  3.6125% (0.80   0.02   0.02) =   0.009%
          HN    PHE   59 - HA    LEU  115   8.60 +/- 0.88   1.162% *  0.5707% (0.13   0.02  30.29) =   0.009%
          HN    LYS+  66 - HA    ARG+  54  16.73 +/- 1.12   0.019% *  4.4221% (0.98   0.02   0.02) =   0.001%
          HN    LYS+  66 - HA    LEU  115  13.41 +/- 0.97   0.061% *  1.3607% (0.30   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    ARG+  54  19.58 +/- 2.04   0.011% *  1.1249% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  22.85 +/- 1.12   0.003% *  0.3461% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 2 structures by 0.37 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.921, support = 6.16, residual support = 155.1:
      O   HN    ARG+  54 - HA    ARG+  54   2.75 +/- 0.06  81.459% * 75.5578% (0.97  10.0   6.36 166.11) =  93.239%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.53 +/- 0.04  18.469% * 24.1648% (0.31  10.0   3.33   3.53) =   6.761%  kept
          HN    ASP-  62 - HA    ARG+  54  11.01 +/- 1.10   0.024% *  0.0741% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.86 +/- 0.76   0.024% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  13.34 +/- 1.14   0.008% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.84 +/- 1.08   0.016% *  0.0074% (0.09   1.0   0.02   4.38) =   0.000%
          HN    LEU   31 - HA    ARG+  54  24.57 +/- 2.19   0.000% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  21.79 +/- 0.89   0.000% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  24.16 +/- 1.17   0.000% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  30.07 +/- 1.87   0.000% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 4.27, residual support = 20.0:
          HN    ILE   56 - QB    PHE   55   2.83 +/- 0.29  99.356% * 97.4326% (0.57   4.27  19.97) =  99.999%  kept
          HN    LYS+ 111 - QB    PHE   55   8.06 +/- 1.80   0.448% *  0.1796% (0.22   0.02   0.02) =   0.001%
          QE    PHE   60 - QB    PHE   55   9.82 +/- 2.06   0.171% *  0.2012% (0.25   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    PHE   55  12.04 +/- 0.73   0.021% *  0.5543% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  19.91 +/- 0.89   0.001% *  0.6740% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  22.57 +/- 1.10   0.000% *  0.7787% (0.97   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  18.01 +/- 0.79   0.002% *  0.1796% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.9, residual support = 20.5:
      O   HN    PHE   55 - QB    PHE   55   2.06 +/- 0.07  98.643% * 99.5965% (0.73  10.0   2.90  20.49) =  99.999%  kept
          HN    ARG+  54 - QB    PHE   55   4.24 +/- 0.15   1.352% *  0.0832% (0.61   1.0   0.02   3.53) =   0.001%
          HN    ASP-  62 - QB    PHE   55  11.05 +/- 0.73   0.005% *  0.1266% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  18.11 +/- 1.12   0.000% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  23.66 +/- 1.34   0.000% *  0.1324% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  27.99 +/- 1.10   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.889, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.87 +/- 1.20  94.490% * 36.5548% (0.90   0.02   0.02) =  96.982%  kept
          HN    LYS+  66 - QB    PHE   55  15.92 +/- 0.88   3.312% * 16.7569% (0.41   0.02   0.02) =   1.558%  kept
          HN    LYS+  81 - QB    PHE   55  19.46 +/- 1.07   1.119% * 40.3993% (0.99   0.02   0.02) =   1.269%  kept
          HE3   TRP   27 - QB    PHE   55  19.44 +/- 1.31   1.079% *  6.2891% (0.15   0.02   0.02) =   0.191%
    Distance limit 3.17 A violated in 20 structures by 5.62 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 = 124.1:
      O   HN    ILE   56 - HB    ILE   56   3.14 +/- 0.58  96.592% * 98.8687% (0.25  10.0   6.04 124.14) =  99.992%  kept
          QE    PHE   60 - HB    ILE   56   8.21 +/- 2.31   2.884% *  0.2245% (0.57   1.0   0.02   3.84) =   0.007%
          HN    LEU   63 - HB    ILE   56   9.63 +/- 1.43   0.521% *  0.1353% (0.34   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB    ILE   56  19.81 +/- 1.91   0.002% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  22.99 +/- 1.41   0.001% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.494, support = 2.35, residual support = 16.2:
          QD    PHE   55 - HB    ILE   56   4.06 +/- 0.99  69.569% * 61.5626% (0.41   2.74  19.97) =  80.492%  kept
          QE    PHE   95 - HB    ILE   56   5.13 +/- 1.48  30.270% * 34.2855% (0.84   0.75   0.61) =  19.505%  kept
          HD1   TRP   49 - HB    ILE   56  13.20 +/- 1.90   0.084% *  0.8365% (0.76   0.02   0.02) =   0.001%
          HN    LEU   67 - HB    ILE   56  15.47 +/- 1.29   0.040% *  1.0849% (0.99   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB    ILE   56  17.54 +/- 1.67   0.022% *  0.6639% (0.61   0.02   0.02) =   0.000%
          HN    THR   23 - HB    ILE   56  20.73 +/- 1.60   0.005% *  0.9495% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  18.99 +/- 1.56   0.008% *  0.3734% (0.34   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  28.59 +/- 1.88   0.001% *  0.2437% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.71, residual support = 124.1:
      O T QD1   ILE   56 - HB    ILE   56   2.63 +/- 0.46  99.965% * 99.4902% (0.87  10.0 10.00   4.71 124.14) = 100.000%  kept
        T QD2   LEU  123 - HB    ILE   56  13.32 +/- 1.84   0.020% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    ILE   56  14.31 +/- 1.57   0.011% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  16.43 +/- 1.31   0.004% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  22.09 +/- 1.77   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 = 3.94, residual support = 124.1:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  99.993% * 98.2187% (0.87  10.0 10.00   3.94 124.14) = 100.000%  kept
        T QD2   LEU   73 - QG1   ILE   56  11.74 +/- 1.43   0.003% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QG1   ILE   56  13.40 +/- 0.73   0.001% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  11.12 +/- 0.86   0.003% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.49 +/- 1.61   0.000% *  0.0508% (0.45   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 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.93, residual support = 124.1:
        T QG2   ILE   56 - QD1   ILE   56   2.64 +/- 0.55  99.847% * 98.5057% (0.72 10.00   4.93 124.14) = 100.000%  kept
        T QB    ALA   34 - QD1   ILE   56  15.65 +/- 1.37   0.004% *  1.1899% (0.87 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   56   9.54 +/- 1.16   0.074% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56   9.50 +/- 0.97   0.067% *  0.0255% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  16.60 +/- 1.47   0.002% *  0.1263% (0.93  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  15.32 +/- 1.49   0.005% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  23.41 +/- 1.78   0.000% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.728, support = 1.8, residual support = 2.88:
          QB    ALA  110 - QD1   ILE   56   5.38 +/- 2.43  21.323% * 71.5904% (0.85  1.00   2.13   3.59) =  78.013%  kept
          HB3   LEU  115 - QD1   ILE   56   3.87 +/- 1.32  70.073% *  5.3432% (0.21  1.00   0.64   0.40) =  19.135%  kept
          QB    ALA   61 - QD1   ILE   56   7.01 +/- 0.67   3.283% * 16.5753% (0.94  1.00   0.44   0.02) =   2.781%  kept
          HB3   LYS+  74 - QD1   ILE   56  11.74 +/- 2.10   4.594% *  0.1865% (0.24  1.00   0.02   0.02) =   0.044%
          QG    LYS+  66 - QD1   ILE   56  10.20 +/- 1.16   0.355% *  0.6489% (0.82  1.00   0.02   0.02) =   0.012%
        T HD3   LYS+ 121 - QD1   ILE   56  12.26 +/- 1.05   0.091% *  2.0800% (0.26 10.00   0.02   0.02) =   0.010%
          HB3   LEU   67 - QD1   ILE   56  13.77 +/- 1.23   0.044% *  0.7333% (0.93  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QD1   ILE   56  14.10 +/- 1.63   0.061% *  0.5139% (0.65  1.00   0.02   0.02) =   0.002%
          HG    LEU   80 - QD1   ILE   56  16.49 +/- 1.48   0.031% *  0.6906% (0.87  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD1   ILE   56  16.25 +/- 1.80   0.027% *  0.6249% (0.79  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD1   ILE   56  16.32 +/- 1.92   0.033% *  0.3076% (0.39  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD1   ILE   56  13.73 +/- 1.75   0.053% *  0.1154% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  14.76 +/- 1.65   0.026% *  0.1666% (0.21  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  20.28 +/- 1.90   0.005% *  0.4235% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 6 structures by 0.59 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.94, residual support = 124.1:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  99.920% * 98.9931% (0.85  10.0 10.00   3.94 124.14) = 100.000%  kept
          HB3   MET   92 - QD1   ILE   56   7.77 +/- 1.06   0.038% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  13.93 +/- 1.87   0.002% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56   8.62 +/- 2.24   0.034% *  0.0341% (0.29   1.0  1.00   0.02   2.10) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  11.07 +/- 1.54   0.004% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  12.79 +/- 1.10   0.001% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  16.11 +/- 1.47   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  17.15 +/- 1.65   0.000% *  0.0884% (0.76   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 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 4.71, residual support = 124.1:
      O T HB    ILE   56 - QD1   ILE   56   2.63 +/- 0.46  99.126% * 98.1990% (0.72  10.0 10.00   4.71 124.14) =  99.999%  kept
          HB3   PRO   58 - QD1   ILE   56   6.68 +/- 0.61   0.591% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QD1   ILE   56   8.85 +/- 1.22   0.215% *  0.1274% (0.94   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  17.76 +/- 1.75   0.003% *  1.2736% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   9.93 +/- 1.34   0.048% *  0.0438% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  13.89 +/- 1.31   0.011% *  0.0320% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  16.45 +/- 0.95   0.003% *  0.0397% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  22.40 +/- 1.69   0.000% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.09 +/- 1.53   0.002% *  0.0254% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  28.48 +/- 2.42   0.000% *  0.0286% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.81, residual support = 8.53:
        T HA    LYS+ 112 - QD1   ILE   56   4.30 +/- 1.86  85.656% * 99.8481% (0.79 10.00   1.81   8.53) =  99.993%  kept
          HB    THR   46 - QD1   ILE   56   8.33 +/- 1.41  13.902% *  0.0407% (0.29  1.00   0.02   0.02) =   0.007%
          HB2   HIS  122 - QD1   ILE   56  12.80 +/- 1.11   0.272% *  0.0746% (0.54  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   ILE   56  16.50 +/- 2.02   0.170% *  0.0366% (0.26  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 10 structures by 1.41 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 3.15, residual support = 11.7:
          HA    ALA  110 - QD1   ILE   56   5.57 +/- 3.13  56.174% * 42.9446% (0.94   2.41   3.59) =  50.241%  kept
          HA    PHE   55 - QD1   ILE   56   4.86 +/- 0.96  42.351% * 56.4093% (0.76   3.91  19.97) =  49.755%  kept
          HA    VAL  107 - QD1   ILE   56   8.22 +/- 1.66   0.868% *  0.1352% (0.36   0.02   0.02) =   0.002%
          HA    GLN   90 - QD1   ILE   56  12.75 +/- 1.66   0.131% *  0.3408% (0.89   0.02   0.02) =   0.001%
          HA    ALA   91 - QD1   ILE   56  10.87 +/- 1.50   0.392% *  0.0898% (0.24   0.02   0.02) =   0.001%
          HA    VAL   42 - QD1   ILE   56  12.18 +/- 1.48   0.083% *  0.0802% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 5 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  10.54 +/- 0.85 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.30 A violated in 20 structures by 7.24 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 1.58, residual support = 20.7:
          HN    PHE   59 - QD1   ILE   56   3.84 +/- 0.52  99.821% * 93.1545% (0.29   1.58  20.70) =  99.994%  kept
          HN    HIS  122 - QD1   ILE   56  11.61 +/- 0.89   0.162% *  3.3163% (0.82   0.02   0.02) =   0.006%
          HH2   TRP   87 - QD1   ILE   56  16.91 +/- 1.37   0.017% *  3.5292% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 5 structures by 0.51 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.64, residual support = 33.4:
          HN    ALA   57 - QD1   ILE   56   3.66 +/- 0.75  96.349% * 98.3780% (0.42   4.64  33.45) =  99.986%  kept
          HE21  GLN  116 - QD1   ILE   56   7.55 +/- 1.07   3.622% *  0.3548% (0.36   0.02   0.02) =   0.014%
          HE21  GLN   90 - QD1   ILE   56  15.59 +/- 1.81   0.027% *  0.9124% (0.91   0.02   0.02) =   0.000%
          HD21  ASN   35 - QD1   ILE   56  23.40 +/- 2.04   0.003% *  0.3548% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 1 structures by 0.27 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.257, support = 5.53, residual support = 115.7:
          HN    ILE   56 - QD1   ILE   56   3.37 +/- 0.96  82.108% * 70.7683% (0.24   5.87 124.14) =  93.024%  kept
          QE    PHE   60 - QD1   ILE   56   6.59 +/- 2.32  16.105% * 27.0202% (0.54   0.99   3.84) =   6.967%  kept
          HN    LEU   63 - QD1   ILE   56   7.50 +/- 0.75   1.770% *  0.3298% (0.32   0.02   0.02) =   0.009%
          HZ2   TRP   87 - QD1   ILE   56  16.30 +/- 1.33   0.013% *  0.9669% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  19.04 +/- 1.44   0.005% *  0.9147% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 1.73, residual support = 8.53:
          HN    LYS+ 112 - QD1   ILE   56   5.68 +/- 2.36  88.255% * 97.4175% (0.50   1.74   8.53) =  99.920%  kept
          HN    VAL   75 - QD1   ILE   56  10.80 +/- 1.46  10.252% *  0.4749% (0.21   0.02   0.02) =   0.057%
          HN    ASP-  78 - QD1   ILE   56  13.89 +/- 1.27   1.479% *  1.3800% (0.61   0.02   0.02) =   0.024%
          HN    MET   11 - QD1   ILE   56  28.70 +/- 2.64   0.013% *  0.7276% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 10 structures by 2.17 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.7:
        T HB3   PHE   59 - QG1   ILE   56   3.02 +/- 0.55  98.307% * 99.8494% (0.38 10.00   3.00  20.70) =  99.997%  kept
          HB2   PHE   95 - QG1   ILE   56   7.07 +/- 1.52   1.693% *  0.1506% (0.57  1.00   0.02   0.61) =   0.003%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.348, support = 2.52, residual support = 20.7:
        T HB2   PHE   59 - QG1   ILE   56   2.66 +/- 0.74  91.730% * 73.3061% (0.34 10.00   2.49  20.70) =  97.544%  kept
          QB    PHE   55 - QG1   ILE   56   4.76 +/- 0.63   6.502% * 25.9942% (0.61  1.00   3.99  19.97) =   2.452%  kept
          HD3   PRO   93 - QG1   ILE   56   6.88 +/- 1.33   1.145% *  0.1561% (0.73  1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - QG1   ILE   56   7.12 +/- 1.20   0.541% *  0.1927% (0.90  1.00   0.02   0.02) =   0.002%
          HD2   ARG+  54 - QG1   ILE   56   9.57 +/- 0.64   0.076% *  0.2033% (0.95  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QG1   ILE   56  15.16 +/- 1.36   0.007% *  0.1476% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56  10.61 +/- 0.94 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.85 A violated in 20 structures by 6.77 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 1.97, residual support = 20.7:
          QD    PHE   59 - QG1   ILE   56   3.41 +/- 0.65  99.899% * 96.4507% (0.34   1.97  20.70) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  11.90 +/- 0.46   0.084% *  1.1777% (0.41   0.02   0.02) =   0.001%
          HH2   TRP   87 - QG1   ILE   56  17.32 +/- 1.47   0.010% *  1.3944% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   ILE   56  18.03 +/- 1.17   0.006% *  0.9772% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.04, residual support = 124.1:
      O   HN    ILE   56 - HA    ILE   56   2.85 +/- 0.15  99.193% * 98.8687% (0.25  10.0   5.04 124.14) =  99.998%  kept
          QE    PHE   60 - HA    ILE   56   8.59 +/- 2.07   0.693% *  0.2245% (0.57   1.0   0.02   3.84) =   0.002%
          HN    LEU   63 - HA    ILE   56   9.27 +/- 1.07   0.113% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    ILE   56  21.25 +/- 1.98   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  24.15 +/- 1.50   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 = 24.6:
        T HD2   PRO   58 - QB    ALA   57   2.13 +/- 0.19  98.564% * 98.8080% (0.95 10.00   5.07  24.56) =  99.999%  kept
          HB2   CYS   53 - QB    ALA   57   5.31 +/- 1.64   1.435% *  0.0356% (0.34  1.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QB    ALA   57  17.80 +/- 1.42   0.000% *  1.0238% (0.98 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  22.26 +/- 1.51   0.000% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  22.74 +/- 1.33   0.000% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.87, residual support = 24.3:
      O   HN    ALA   57 - QB    ALA   57   2.53 +/- 0.49  98.165% * 98.4865% (0.18  10.0   4.87  24.31) =  99.998%  kept
          HE21  GLN  116 - QB    ALA   57  11.03 +/- 2.48   1.802% *  0.1252% (0.22   1.0   0.02   0.02) =   0.002%
          HE21  GLN   17 - QB    ALA   57  12.98 +/- 1.88   0.013% *  0.4084% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  12.79 +/- 1.16   0.015% *  0.3184% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  17.52 +/- 1.04   0.002% *  0.4697% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.24 +/- 0.97   0.004% *  0.1918% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.12 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   2.71 +/- 0.18  99.930% * 99.6015% (0.57  10.0   4.48  24.31) = 100.000%  kept
          HE21  GLN  116 - HA    ALA   57  12.15 +/- 2.35   0.057% *  0.1138% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   57  13.78 +/- 0.82   0.007% *  0.1698% (0.97   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  15.27 +/- 2.16   0.005% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.71 +/- 1.03   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   2.14 +/- 0.01  99.864% * 98.9094% (0.53  10.0 10.00   2.81  24.31) = 100.000%  kept
          HD2   LYS+  74 - HA    ALA   57   8.04 +/- 1.58   0.067% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    ALA   57   8.80 +/- 2.40   0.058% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.98 +/- 1.31   0.007% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  15.86 +/- 0.74   0.001% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  16.62 +/- 2.01   0.001% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  18.08 +/- 1.50   0.000% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  17.47 +/- 1.03   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  17.11 +/- 1.07   0.000% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  20.39 +/- 1.84   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  25.07 +/- 1.45   0.000% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.02 +/- 2.11   0.000% *  0.0580% (0.31   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 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.255, support = 0.02, residual support = 0.02:
          HN    CYS   53 - HB2   PRO   58  12.39 +/- 1.00  93.298% *  5.7685% (0.15   0.02   0.02) =  80.178%  kept
          HN    SER   85 - HB2   PRO   58  25.39 +/- 1.37   1.350% * 29.9364% (0.80   0.02   0.02) =   6.020%  kept
          HN    GLN   32 - HB2   PRO   58  26.87 +/- 0.96   0.962% * 37.3861% (1.00   0.02   0.02) =   5.360%  kept
          HN    LEU   80 - HB2   PRO   58  22.50 +/- 1.58   2.823% * 11.5391% (0.31   0.02   0.02) =   4.852%  kept
          HN    ALA   34 - HB2   PRO   58  24.86 +/- 0.95   1.568% * 15.3699% (0.41   0.02   0.02) =   3.589%  kept
    Distance limit 3.86 A violated in 20 structures by 8.39 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 = 40.2:
      O   HN    PHE   59 - HB3   PRO   58   4.11 +/- 0.28  94.565% * 99.6725% (0.61  10.0   6.30  40.18) =  99.996%  kept
          QE    PHE   59 - HB3   PRO   58   8.49 +/- 0.92   1.495% *  0.1360% (0.83   1.0   0.02  40.18) =   0.002%
          QD    PHE   60 - HB3   PRO   58   7.62 +/- 0.91   3.391% *  0.0382% (0.23   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB3   PRO   58  10.38 +/- 1.03   0.503% *  0.1049% (0.64   1.0   0.02   0.02) =   0.001%
          HN    HIS  122 - HB3   PRO   58  15.16 +/- 1.36   0.044% *  0.0272% (0.17   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  24.48 +/- 1.30   0.002% *  0.0212% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 146.7:
      O   HD2   PRO   58 - HG3   PRO   58   2.33 +/- 0.12  99.967% * 99.7269% (0.95  10.0   5.39 146.75) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58  10.13 +/- 1.36   0.033% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  25.08 +/- 1.28   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  28.15 +/- 1.26   0.000% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  28.65 +/- 1.05   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 146.7:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  99.796% * 99.2991% (0.76  10.0   4.50 146.75) = 100.000%  kept
          HA    THR   46 - HG3   PRO   58  12.41 +/- 1.36   0.141% *  0.1254% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  14.39 +/- 1.01   0.043% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  20.07 +/- 0.96   0.005% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  17.94 +/- 0.98   0.011% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  23.11 +/- 1.02   0.002% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  25.82 +/- 1.25   0.001% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  30.06 +/- 1.29   0.000% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.535, support = 5.54, residual support = 24.6:
          HN    ALA   57 - HD2   PRO   58   2.43 +/- 0.78  96.235% * 98.5755% (0.54   5.54  24.56) =  99.984%  kept
          HE21  GLN  116 - HD2   PRO   58  11.21 +/- 2.79   3.743% *  0.4068% (0.61   0.02   0.02) =   0.016%
          HN    ALA  120 - HD2   PRO   58  13.73 +/- 1.21   0.018% *  0.6069% (0.91   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  16.44 +/- 1.85   0.003% *  0.1748% (0.26   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  19.48 +/- 1.19   0.002% *  0.2360% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 146.7:
      O   HA    PRO   58 - HD3   PRO   58   3.97 +/- 0.04  97.666% * 99.2639% (0.72  10.0   6.52 146.75) =  99.999%  kept
          HA    THR   46 - HD3   PRO   58  10.23 +/- 1.13   0.451% *  0.1254% (0.91   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD3   PRO   58  14.00 +/- 0.82   0.055% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   68   9.35 +/- 1.35   0.880% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  10.70 +/- 1.20   0.340% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  15.86 +/- 1.13   0.027% *  0.0487% (0.36   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.23 +/- 1.46   0.264% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  19.50 +/- 0.79   0.007% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  12.06 +/- 1.28   0.160% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  21.35 +/- 1.16   0.004% *  0.0788% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  14.93 +/- 1.70   0.062% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.68 +/- 0.96   0.042% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.56 +/- 1.63   0.033% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  25.55 +/- 1.29   0.001% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  28.71 +/- 1.32   0.001% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  20.79 +/- 1.50   0.005% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 3.89, residual support = 24.6:
          HN    ALA   57 - HD3   PRO   58   2.12 +/- 0.61  98.529% * 97.8766% (0.54   3.89  24.56) =  99.993%  kept
          HE21  GLN  116 - HD3   PRO   58   9.89 +/- 2.47   1.204% *  0.5746% (0.61   0.02   0.02) =   0.007%
          HN    ALA  120 - HD3   PRO   58  12.33 +/- 0.93   0.014% *  0.8572% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68   9.77 +/- 2.98   0.215% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  12.41 +/- 2.04   0.022% *  0.0379% (0.04   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  18.42 +/- 0.85   0.001% *  0.3334% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  16.74 +/- 1.69   0.002% *  0.2470% (0.26   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  14.73 +/- 2.78   0.006% *  0.0254% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  12.64 +/- 1.63   0.006% *  0.0109% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  17.72 +/- 1.34   0.001% *  0.0223% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 1 structures by 0.06 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 24.6:
          QB    ALA   57 - HD3   PRO   58   3.25 +/- 0.23  98.546% * 96.7335% (0.87   3.30  24.56) =  99.999%  kept
          HD2   LYS+  74 - HD3   PRO   58  11.03 +/- 1.00   0.082% *  0.6298% (0.94   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD3   PRO   58  11.04 +/- 0.97   0.084% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  10.61 +/- 2.89   0.742% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  15.34 +/- 2.17   0.014% *  0.5698% (0.85   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   8.85 +/- 1.24   0.398% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  15.26 +/- 0.92   0.011% *  0.3343% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  15.91 +/- 1.12   0.008% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  12.25 +/- 1.89   0.056% *  0.0148% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  22.52 +/- 1.41   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  21.01 +/- 1.31   0.002% *  0.2612% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  14.32 +/- 1.68   0.020% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  15.19 +/- 0.95   0.011% *  0.0260% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  16.16 +/- 1.72   0.008% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  14.47 +/- 1.39   0.015% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  26.24 +/- 1.06   0.000% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  25.03 +/- 1.96   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  24.17 +/- 1.48   0.001% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 24.6:
        T QB    ALA   57 - HD2   PRO   58   2.13 +/- 0.19  99.983% * 97.4262% (0.87 10.00   5.07  24.56) = 100.000%  kept
        T HD2   LYS+  74 - HD2   PRO   58  11.13 +/- 1.16   0.007% *  1.0461% (0.94 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   PRO   58  10.97 +/- 1.05   0.008% *  0.5137% (0.46 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  16.58 +/- 2.34   0.001% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  21.36 +/- 1.40   0.000% *  0.4339% (0.39 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  17.07 +/- 1.51   0.001% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  16.66 +/- 1.07   0.001% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  27.05 +/- 1.22   0.000% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  22.81 +/- 1.44   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.73, residual support = 146.7:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.987% * 99.6708% (0.89  10.0 10.00   7.73 146.75) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   8.38 +/- 1.07   0.012% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  17.74 +/- 1.05   0.000% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  22.70 +/- 1.19   0.000% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  26.24 +/- 1.38   0.000% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  16.46 +/- 1.79   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.08 +/- 1.49   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  27.00 +/- 1.18   0.000% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  25.52 +/- 1.41   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  22.39 +/- 1.34   0.000% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.73, residual support = 146.7:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.992% * 99.5891% (0.95  10.0 10.00   7.73 146.75) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.67 +/- 0.47   0.007% *  0.0446% (0.42   1.0  1.00   0.02   1.07) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  17.74 +/- 1.05   0.000% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  16.07 +/- 1.37   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 = 40.2:
          HN    PHE   59 - HD2   PRO   58   3.62 +/- 0.23  99.084% * 99.0701% (0.69   6.65  40.18) =  99.999%  kept
          QE    PHE   59 - HD2   PRO   58   8.36 +/- 0.80   0.901% *  0.1399% (0.32   0.02  40.18) =   0.001%
          HN    HIS  122 - HD2   PRO   58  16.14 +/- 0.99   0.013% *  0.4020% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  23.22 +/- 1.58   0.002% *  0.3880% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 20.7:
        T QG1   ILE   56 - HB3   PHE   59   3.02 +/- 0.55  99.992% * 99.6917% (0.53 10.00   3.00  20.70) = 100.000%  kept
          HB    ILE   89 - HB3   PHE   59  16.72 +/- 1.11   0.005% *  0.1857% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PHE   59  18.82 +/- 1.35   0.003% *  0.1226% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.51, support = 0.629, residual support = 5.29:
          HB3   ASP-  62 - HB3   PHE   59   5.11 +/- 0.75  50.739% * 61.4813% (0.45   0.75   6.52) =  81.095%  kept
          QE    LYS+ 112 - HB3   PHE   59   6.66 +/- 3.26  45.699% * 14.8476% (0.80   0.10   0.02) =  17.639%  kept
          HB    VAL  107 - HB3   PHE   59   8.09 +/- 1.44   3.442% * 14.0416% (0.38   0.20   0.45) =   1.256%  kept
          HB3   PHE   45 - HB3   PHE   59  13.24 +/- 0.85   0.114% *  2.9282% (0.80   0.02   0.02) =   0.009%
          HB3   ASP-  86 - HB3   PHE   59  22.13 +/- 1.21   0.005% *  3.1721% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB3   PHE   59  27.28 +/- 1.11   0.001% *  3.5292% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 1 structures by 0.31 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.49, residual support = 20.7:
        T QG1   ILE   56 - HB2   PHE   59   2.66 +/- 0.74  99.970% * 99.0024% (0.18 10.00   2.49  20.70) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  13.46 +/- 1.23   0.018% *  0.1928% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  16.13 +/- 1.20   0.005% *  0.3657% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  18.55 +/- 1.64   0.003% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  19.13 +/- 1.36   0.002% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  20.44 +/- 1.07   0.001% *  0.1572% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 58.7:
      O   HN    PHE   59 - HB3   PHE   59   2.45 +/- 0.45  99.975% * 99.4232% (0.31  10.0   4.98  58.70) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  11.25 +/- 1.05   0.024% *  0.2794% (0.87   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  20.24 +/- 1.31   0.001% *  0.2974% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 58.7:
      O   HN    PHE   59 - HB2   PHE   59   2.44 +/- 0.47  95.829% * 99.7763% (1.00  10.0   4.37  58.70) =  99.997%  kept
          QE    PHE   59 - HB2   PHE   59   4.47 +/- 0.03   4.117% *  0.0799% (0.80   1.0   0.02  58.70) =   0.003%
          HN    HIS  122 - HB2   PHE   59  11.50 +/- 0.57   0.018% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   59   9.96 +/- 0.38   0.035% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  19.63 +/- 1.55   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.5, residual support = 6.52:
          HB2   ASP-  62 - HA    PHE   59   3.20 +/- 0.29  99.912% * 97.0773% (0.99  1.00   1.50   6.52) =  99.998%  kept
        T QB    ASP- 113 - HA    PHE   59  11.51 +/- 1.03   0.061% *  2.2871% (0.18 10.00   0.02   0.02) =   0.001%
          HB2   PRO   52 - HA    PHE   59  13.77 +/- 1.48   0.027% *  0.6357% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.96, residual support = 6.52:
          HB3   ASP-  62 - HA    PHE   59   2.64 +/- 0.78  99.028% * 85.4423% (0.18  1.00   2.96   6.52) =  99.987%  kept
          HG3   GLN  116 - HA    PHE   59   7.45 +/- 1.19   0.962% *  1.1256% (0.34  1.00   0.02   0.64) =   0.013%
        T HB3   TRP   87 - HA    PHE   59  18.73 +/- 1.08   0.003% *  9.1744% (0.28 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    PHE   59  16.26 +/- 1.31   0.007% *  1.7360% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  26.83 +/- 2.55   0.000% *  2.5217% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 58.7:
      O   HN    PHE   59 - HA    PHE   59   2.76 +/- 0.06  95.825% * 99.7763% (1.00  10.0   4.97  58.70) =  99.997%  kept
          QE    PHE   59 - HA    PHE   59   4.81 +/- 0.37   3.929% *  0.0799% (0.80   1.0   0.02  58.70) =   0.003%
          HN    LYS+  66 - HA    PHE   59   7.84 +/- 0.67   0.208% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59  10.54 +/- 1.11   0.038% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  21.04 +/- 1.29   0.001% *  0.0525% (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 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.01, residual support = 20.5:
          HN    PHE   60 - HB3   PHE   59   3.56 +/- 0.47  93.286% * 98.7568% (0.61   4.01  20.52) =  99.988%  kept
          HN    GLN  116 - HB3   PHE   59   6.49 +/- 0.90   5.557% *  0.1422% (0.18   0.02   0.64) =   0.009%
          HN    THR  118 - HB3   PHE   59   8.29 +/- 1.15   1.153% *  0.3048% (0.38   0.02  11.65) =   0.004%
          HN    GLU-  15 - HB3   PHE   59  20.27 +/- 1.05   0.003% *  0.7962% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.992, support = 3.92, residual support = 71.5:
          QD    PHE   60 - HA    PHE   60   2.61 +/- 0.47  91.030% * 91.3306% (1.00   3.94  71.92) =  99.168%  kept
          QE    PHE   59 - HA    PHE   60   5.05 +/- 1.61   8.752% *  7.9594% (0.25   1.37  20.52) =   0.831%  kept
          HN    LYS+  66 - HA    PHE   60   7.54 +/- 0.48   0.218% *  0.3377% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    PHE   60  20.26 +/- 1.00   0.001% *  0.3723% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.94, residual support = 71.9:
      O   HN    PHE   60 - HA    PHE   60   2.81 +/- 0.04  99.873% * 99.7483% (0.61  10.0   4.94  71.92) = 100.000%  kept
          HN    THR  118 - HA    PHE   60  10.01 +/- 0.93   0.058% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60   9.91 +/- 1.03   0.066% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  15.87 +/- 0.69   0.003% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 5.01, residual support = 41.8:
      O   HN    ALA   61 - HA    PHE   60   3.63 +/- 0.02  99.936% * 99.5823% (0.84  10.0   5.01  41.84) = 100.000%  kept
          HN    ALA   91 - HA    PHE   60  15.97 +/- 1.46   0.017% *  0.1069% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  17.49 +/- 0.87   0.008% *  0.1182% (0.99   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  15.54 +/- 0.93   0.018% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  16.62 +/- 0.95   0.012% *  0.0627% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  18.17 +/- 1.16   0.007% *  0.0580% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  21.53 +/- 1.06   0.002% *  0.0184% (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 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.165, support = 0.741, residual support = 0.766:
          HA    ALA   57 - HB2   PHE   60   3.79 +/- 1.21  93.080% * 42.7977% (0.15   0.75   0.74) =  98.741%  kept
          HA    ASP-  44 - HB2   PHE   60   7.23 +/- 0.95   6.812% *  7.3803% (1.00   0.02   2.76) =   1.246%  kept
          HB    THR   77 - HB2   PHE   60  14.76 +/- 0.91   0.029% *  7.2502% (0.98   0.02   0.02) =   0.005%
          HA1   GLY   51 - HB2   PHE   60  13.93 +/- 1.04   0.035% *  2.7761% (0.38   0.02   0.02) =   0.002%
          HA    ILE  103 - HB2   PHE   60  17.39 +/- 1.19   0.011% *  6.8280% (0.92   0.02   0.02) =   0.002%
          HA    GLU-  79 - HB2   PHE   60  18.21 +/- 0.79   0.008% *  4.1877% (0.57   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   PHE   60  20.13 +/- 1.01   0.004% *  7.2502% (0.98   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   PHE   60  18.54 +/- 1.45   0.007% *  3.6004% (0.49   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB2   PHE   60  18.02 +/- 1.08   0.008% *  3.0409% (0.41   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB2   PHE   60  21.10 +/- 1.00   0.003% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  27.08 +/- 2.12   0.001% *  7.3967% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  24.29 +/- 1.60   0.001% *  3.8916% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.10 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 71.9:
      O   QD    PHE   60 - HB2   PHE   60   2.41 +/- 0.14  99.933% * 99.7759% (0.76  10.0   3.76  71.92) = 100.000%  kept
          HN    LYS+  66 - HB2   PHE   60   9.41 +/- 0.49   0.030% *  0.0363% (0.28   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   PHE   60   9.62 +/- 1.12   0.034% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  14.25 +/- 0.90   0.003% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  19.11 +/- 0.83   0.000% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.89, residual support = 41.8:
          HN    ALA   61 - HB2   PHE   60   2.70 +/- 0.44  99.977% * 95.7365% (0.38   4.89  41.84) = 100.000%  kept
          HD1   TRP   87 - HB2   PHE   60  15.49 +/- 1.06   0.007% *  0.9347% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   PHE   60  15.14 +/- 1.12   0.007% *  0.4673% (0.45   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  17.27 +/- 0.85   0.002% *  0.8346% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  19.97 +/- 1.43   0.001% *  0.9621% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  17.33 +/- 1.26   0.004% *  0.1608% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  20.88 +/- 1.84   0.001% *  0.3555% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  22.96 +/- 1.32   0.000% *  0.5484% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 71.9:
      O   HN    PHE   60 - HB2   PHE   60   2.19 +/- 0.39  99.983% * 99.7483% (0.61  10.0   4.80  71.92) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  11.85 +/- 1.06   0.006% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  11.12 +/- 1.13   0.010% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  16.45 +/- 0.80   0.001% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 3.17, residual support = 11.6:
        T QD1   LEU   63 - HA    PHE   60   2.91 +/- 0.62  87.402% * 93.2367% (1.00 10.00   3.18  11.61) =  99.390%  kept
          QD2   LEU   63 - HA    PHE   60   4.86 +/- 0.57   9.692% *  5.1342% (0.57  1.00   1.95  11.61) =   0.607%  kept
          QD2   LEU  115 - HA    PHE   60   5.87 +/- 1.06   2.806% *  0.0779% (0.84  1.00   0.02   0.02) =   0.003%
        T QD1   LEU   73 - HA    PHE   60  10.55 +/- 0.66   0.056% *  0.9324% (1.00 10.00   0.02   1.32) =   0.001%
        T QD1   LEU  104 - HA    PHE   60  12.90 +/- 1.46   0.028% *  0.5279% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  14.27 +/- 0.93   0.009% *  0.0747% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  14.80 +/- 1.13   0.008% *  0.0163% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 11.6:
        T HB2   LEU   63 - HA    PHE   60   3.03 +/- 0.42  92.182% * 98.8172% (0.92 10.00   1.50  11.61) =  99.988%  kept
          HB3   ASP-  44 - HA    PHE   60   5.44 +/- 1.14   7.284% *  0.1399% (0.98  1.00   0.02   2.76) =   0.011%
          HB3   PRO   93 - HA    PHE   60   8.79 +/- 1.41   0.377% *  0.1238% (0.87  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    PHE   60  13.93 +/- 1.66   0.023% *  0.1377% (0.97  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    PHE   60  14.62 +/- 1.51   0.010% *  0.1424% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  10.86 +/- 0.81   0.058% *  0.0220% (0.15  1.00   0.02   1.32) =   0.000%
          QB    ALA   84 - HA    PHE   60  14.78 +/- 0.80   0.009% *  0.1280% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  12.78 +/- 1.75   0.025% *  0.0318% (0.22  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  15.48 +/- 1.34   0.007% *  0.0866% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  13.88 +/- 0.62   0.012% *  0.0441% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  17.58 +/- 1.52   0.003% *  0.1192% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  18.72 +/- 0.87   0.002% *  0.0980% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  17.35 +/- 1.27   0.004% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  20.80 +/- 2.53   0.004% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  22.34 +/- 1.17   0.001% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 3.38:
        T QG2   VAL   18 - HA    ALA   61   2.76 +/- 0.31  99.556% * 93.9172% (0.34 10.00   0.99   3.38) =  99.998%  kept
          QD2   LEU   73 - HA    ALA   61   8.86 +/- 0.68   0.112% *  0.4842% (0.87  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    ALA   61   8.84 +/- 0.86   0.115% *  0.3386% (0.61  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HA    ALA   61  14.10 +/- 0.74   0.007% *  4.2660% (0.76 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    ALA   61   8.79 +/- 1.31   0.185% *  0.1392% (0.25  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ALA   61  11.48 +/- 0.58   0.024% *  0.3160% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    ALA   61  17.71 +/- 0.91   0.002% *  0.5387% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.52, residual support = 7.42:
        T QB    ALA   64 - HA    ALA   61   2.51 +/- 0.46  99.904% * 98.7496% (0.34 10.00   2.52   7.42) = 100.000%  kept
        T QG1   VAL   75 - HA    ALA   61  12.38 +/- 0.65   0.013% *  1.0865% (0.38 10.00   0.02   0.02) =   0.000%
          QD1   LEU  115 - HA    ALA   61   9.38 +/- 0.90   0.083% *  0.1639% (0.57  1.00   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 = 7.42:
          HN    ALA   64 - HA    ALA   61   3.41 +/- 0.11 100.000% *100.0000% (0.84   0.75   7.42) = 100.000%  kept
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.76, residual support = 18.0:
      O   HN    ALA   61 - HA    ALA   61   2.82 +/- 0.03  99.992% * 98.9218% (0.38  10.0   2.76  17.96) = 100.000%  kept
          HN    TRP   27 - HA    ALA   61  17.54 +/- 0.59   0.002% *  0.2111% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ALA   61  18.35 +/- 0.94   0.001% *  0.2433% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ALA   61  18.24 +/- 0.79   0.001% *  0.2364% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  19.17 +/- 1.19   0.001% *  0.1182% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  21.61 +/- 0.94   0.001% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  21.42 +/- 1.57   0.001% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  19.86 +/- 0.86   0.001% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.78, residual support = 71.9:
      O   QD    PHE   60 - HB3   PHE   60   2.56 +/- 0.18  94.501% * 99.6845% (0.73  10.0   3.78  71.92) =  99.996%  kept
          QE    PHE   59 - HB3   PHE   60   6.38 +/- 1.98   4.026% *  0.0888% (0.65   1.0   0.02  20.52) =   0.004%
          HN    PHE   59 - HB3   PHE   60   5.49 +/- 0.50   1.424% *  0.0382% (0.28   1.0   0.02  20.52) =   0.001%
          HN    LYS+  66 - HB3   PHE   60   9.31 +/- 0.61   0.048% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  18.62 +/- 0.72   0.001% *  0.0515% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2744 (8.21, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 0.198, support = 4.94, residual support = 71.9:
      O   HN    PHE   60 - HB3   PHE   60   2.84 +/- 0.45  99.993% * 99.5797% (0.20  10.0   4.94  71.92) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  16.07 +/- 1.50   0.007% *  0.4203% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.862, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  14.78 +/- 0.99  50.104% * 23.9067% (0.95   0.02   0.02) =  61.091%  kept
          HN    THR   39 - HB3   PHE   60  19.15 +/- 1.55  11.228% * 23.3294% (0.92   0.02   0.02) =  13.359%  kept
          HN    TRP   27 - HB3   PHE   60  16.53 +/- 0.93  25.694% *  8.6206% (0.34   0.02   0.02) =  11.297%  kept
          HN    LYS+ 102 - HB3   PHE   60  20.08 +/- 1.65   8.370% * 20.2366% (0.80   0.02   0.02) =   8.639%  kept
          HN    GLU-  36 - HB3   PHE   60  22.08 +/- 1.47   4.604% * 23.9067% (0.95   0.02   0.02) =   5.614%  kept
    Distance limit 3.56 A violated in 20 structures by 9.54 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   2.25 +/- 0.16  99.987% * 58.7581% (0.33  1.00   2.31   5.56) =  99.999%  kept
        T HA    ASN   28 - QB    ALA   84  11.89 +/- 0.43   0.005% * 13.7635% (0.89 10.00   0.02   0.02) =   0.001%
        T HA    ALA   34 - QB    ALA   84  18.62 +/- 0.54   0.000% * 11.3945% (0.74 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  14.41 +/- 1.59   0.003% *  1.2933% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  15.44 +/- 0.82   0.001% *  1.3372% (0.87  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  18.11 +/- 2.21   0.001% *  0.8441% (0.55  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  13.69 +/- 0.49   0.002% *  0.2301% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  26.48 +/- 1.42   0.000% * 11.3945% (0.74 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  18.18 +/- 1.01   0.000% *  0.6130% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  22.38 +/- 0.55   0.000% *  0.3718% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.182, support = 2.21, residual support = 19.4:
          HA    SER   85 - QB    ALA   84   3.79 +/- 0.04  37.375% * 37.5529% (0.15  1.00   2.33  20.74) =  93.731%  kept
          HA    ASP-  86 - QB    ALA   84   6.52 +/- 0.06   1.429% * 51.2550% (0.84  1.00   0.57   0.02) =   4.891%  kept
          HB    THR   77 - QB    ALA   84   3.48 +/- 0.70  60.037% *  0.3223% (0.15  1.00   0.02   0.02) =   1.292%  kept
        T HA    ASP-  44 - QB    ALA   84   9.54 +/- 0.68   0.169% *  4.1343% (0.19 10.00   0.02   0.02) =   0.047%
          HA    TRP   87 - QB    ALA   84   6.95 +/- 0.12   0.984% *  0.5808% (0.27  1.00   0.02   0.02) =   0.038%
          HA    LEU  104 - QB    ALA   84  17.54 +/- 0.92   0.004% *  2.0161% (0.93  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QB    ALA   84  23.11 +/- 1.22   0.001% *  1.9285% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  27.56 +/- 1.82   0.000% *  1.7450% (0.81  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  29.15 +/- 2.00   0.000% *  0.4651% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.36, residual support = 18.8:
      O   HN    ALA   84 - QB    ALA   84   2.01 +/- 0.04  99.962% * 98.8488% (0.30  10.0   4.36  18.84) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   8.28 +/- 0.51   0.023% *  0.2326% (0.70   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84   9.57 +/- 0.65   0.009% *  0.2872% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  11.31 +/- 1.14   0.004% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  14.53 +/- 1.08   0.001% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  14.48 +/- 1.31   0.001% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  17.60 +/- 0.72   0.000% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 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   2.70 +/- 0.08  98.776% * 98.8043% (0.77   3.87  20.74) =  99.998%  kept
          HN    LEU   80 - QB    ALA   84   5.74 +/- 0.46   1.205% *  0.1969% (0.30   0.02   0.02) =   0.002%
          HN    GLN   32 - QB    ALA   84  15.62 +/- 0.47   0.003% *  0.6380% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   84  11.90 +/- 0.73   0.015% *  0.0984% (0.15   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  17.21 +/- 0.53   0.002% *  0.2623% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 24.5:
          HN    LEU  123 - QB    ALA  120   3.77 +/- 0.09  95.257% * 42.6516% (0.94   0.02  25.22) =  97.042%  kept
          HN    ALA  124 - QB    ALA  120   6.22 +/- 0.16   4.736% * 26.1005% (0.57   0.02   0.02) =   2.952%  kept
          HE21  GLN   17 - QB    ALA  120  18.64 +/- 0.95   0.007% * 31.2479% (0.69   0.02   0.02) =   0.005%
    Distance limit 2.74 A violated in 17 structures by 0.99 A, eliminated.
    Peak unassigned.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.24, residual support = 6.25:
        T HA    SER  117 - QB    ALA  120   2.59 +/- 0.37  99.980% * 99.1094% (0.54 10.00   2.24   6.25) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  13.38 +/- 0.75   0.006% *  0.1656% (0.89  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  16.21 +/- 2.15   0.005% *  0.0991% (0.54  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  13.81 +/- 1.26   0.008% *  0.0307% (0.17  1.00   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  24.44 +/- 1.14   0.000% *  0.3897% (0.21 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  20.21 +/- 1.19   0.001% *  0.1202% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  25.68 +/- 0.65   0.000% *  0.0852% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.01, residual support = 18.0:
      O   HN    ALA   61 - QB    ALA   61   2.08 +/- 0.07  99.943% * 99.3531% (0.97  10.0   4.01  17.96) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110   8.53 +/- 1.47   0.047% *  0.0755% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110  12.08 +/- 2.46   0.005% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  14.14 +/- 0.91   0.001% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  15.86 +/- 0.63   0.001% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  16.25 +/- 0.96   0.000% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  13.27 +/- 0.70   0.002% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  17.88 +/- 0.80   0.000% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  16.25 +/- 0.82   0.000% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.26 +/- 0.79   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  19.98 +/- 0.85   0.000% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  23.35 +/- 1.34   0.000% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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   2.63 +/- 0.22  99.815% * 99.6796% (0.87  10.0   2.12   9.59) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110   9.53 +/- 1.18   0.066% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61   9.88 +/- 0.75   0.042% *  0.0550% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61   9.42 +/- 0.71   0.058% *  0.0236% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  14.23 +/- 2.44   0.007% *  0.0738% (0.64   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  12.78 +/- 1.23   0.010% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  18.75 +/- 0.67   0.001% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.74 +/- 0.86   0.000% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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   2.84 +/- 0.18  95.991% * 96.2308% (1.00   2.79   8.35) =  99.988%  kept
          HN    PHE   55 - QB    ALA  110   6.95 +/- 2.99   3.280% *  0.2295% (0.33   0.02   0.16) =   0.008%
          HN    ARG+  54 - QB    ALA  110   8.05 +/- 2.63   0.603% *  0.4440% (0.64   0.02   0.02) =   0.003%
          HN    ARG+  54 - QB    ALA   61  10.28 +/- 0.85   0.050% *  0.6001% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   61  10.14 +/- 0.84   0.054% *  0.3101% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA  110  12.74 +/- 2.21   0.018% *  0.5108% (0.74   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  16.73 +/- 0.75   0.003% *  0.6781% (0.98   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  20.98 +/- 0.87   0.001% *  0.5018% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  19.29 +/- 0.80   0.001% *  0.2844% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  24.92 +/- 1.22   0.000% *  0.2105% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.834, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  19.36 +/- 1.88  33.772% * 28.1529% (1.00   0.02   0.02) =  42.268%  kept
          HA    GLU-  14 - HB2   ASP-  62  18.39 +/- 0.70  42.839% * 21.5631% (0.76   0.02   0.02) =  41.066%  kept
          HA    ALA   12 - HB2   ASP-  62  24.26 +/- 1.55   8.610% * 18.2527% (0.65   0.02   0.02) =   6.986%  kept
          HA    TRP   87 - HB2   ASP-  62  23.37 +/- 0.91  10.207% * 12.6499% (0.45   0.02   0.02) =   5.740%  kept
          HA    ASP-  86 - HB2   ASP-  62  26.68 +/- 0.85   4.573% * 19.3814% (0.69   0.02   0.02) =   3.940%  kept
    Distance limit 3.41 A violated in 20 structures by 12.45 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.78, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB3   ASP-  62  18.98 +/- 1.71  35.328% * 10.2586% (0.98  1.00   0.02   0.02) =  32.053%  kept
        T HA    ASP-  86 - HB3   ASP-  62  26.12 +/- 1.03   4.883% * 70.6236% (0.67 10.00   0.02   0.02) =  30.500%  kept
          HA    GLU-  14 - HB3   ASP-  62  18.37 +/- 0.77  40.251% *  7.8573% (0.75  1.00   0.02   0.02) =  27.972%  kept
          HA    ALA   12 - HB3   ASP-  62  24.23 +/- 1.71   8.368% *  6.6511% (0.63  1.00   0.02   0.02) =   4.923%  kept
          HA    TRP   87 - HB3   ASP-  62  22.82 +/- 1.18  11.170% *  4.6095% (0.44  1.00   0.02   0.02) =   4.554%  kept
    Distance limit 3.14 A violated in 20 structures by 12.56 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.75, residual support = 3.17:
          HN    LYS+  65 - HA    ASP-  62   3.42 +/- 0.28 100.000% *100.0000% (0.15   0.75   3.17) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.04 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   2.79 +/- 0.03  99.990% * 99.7294% (1.00  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  15.29 +/- 0.73   0.004% *  0.0867% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  14.46 +/- 0.65   0.005% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  21.60 +/- 0.67   0.000% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  22.75 +/- 0.77   0.000% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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   3.29 +/- 0.56  99.838% * 98.7126% (0.97   5.24  42.45) =  99.999%  kept
          HN    ILE   56 - HB2   ASP-  62  10.63 +/- 0.60   0.138% *  0.3501% (0.90   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   ASP-  62  14.71 +/- 1.79   0.020% *  0.2054% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  21.94 +/- 1.04   0.002% *  0.1900% (0.49   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  24.33 +/- 0.90   0.001% *  0.2682% (0.69   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  23.68 +/- 0.76   0.001% *  0.2054% (0.53   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  29.55 +/- 1.08   0.000% *  0.0684% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.04 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   2.67 +/- 0.44  99.993% * 99.6462% (0.69  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  14.02 +/- 0.93   0.006% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  23.79 +/- 0.99   0.000% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  22.40 +/- 0.84   0.000% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.07 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   2.82 +/- 0.54  99.907% * 98.7126% (0.95   5.24  42.45) = 100.000%  kept
          HN    ILE   56 - HB3   ASP-  62  10.26 +/- 0.85   0.077% *  0.3501% (0.88   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   ASP-  62  14.24 +/- 1.60   0.014% *  0.2054% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  21.39 +/- 0.95   0.001% *  0.1900% (0.48   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  23.81 +/- 0.92   0.000% *  0.2682% (0.67   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  23.15 +/- 0.80   0.001% *  0.2054% (0.52   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  29.15 +/- 1.04   0.000% *  0.0684% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.60 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 +/- 0.29  99.990% * 99.7294% (0.98  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB3   ASP-  62  13.71 +/- 0.80   0.004% *  0.0867% (0.85   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   ASP-  62  12.58 +/- 0.81   0.006% *  0.0448% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  21.96 +/- 0.91   0.000% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  23.47 +/- 1.05   0.000% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.991, support = 2.39, residual support = 6.03:
          QB    LYS+  66 - HA    LEU   63   2.47 +/- 0.46  97.214% * 53.2814% (1.00   2.37   6.13) =  98.022%  kept
          QB    LYS+  65 - HA    LEU   63   5.27 +/- 0.44   2.349% * 44.4572% (0.57   3.49   1.18) =   1.976%  kept
          HG    LEU  123 - HA    LEU   63   7.92 +/- 1.60   0.392% *  0.2549% (0.57   0.02   0.02) =   0.002%
          HB2   LEU   71 - HA    LEU   63  12.28 +/- 1.36   0.032% *  0.2368% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   63  14.69 +/- 1.32   0.004% *  0.4258% (0.95   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  15.11 +/- 1.73   0.004% *  0.4037% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  16.89 +/- 2.61   0.003% *  0.3760% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  17.64 +/- 2.66   0.002% *  0.3092% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  19.19 +/- 1.67   0.001% *  0.2549% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.532, support = 1.59, residual support = 6.21:
          HN    LYS+  66 - HA    LEU   63   3.35 +/- 0.27  94.073% * 46.3307% (0.53   1.61   6.13) =  97.760%  kept
          QD    PHE   60 - HA    LEU   63   6.96 +/- 0.62   1.708% * 48.6671% (0.97   0.92  11.61) =   1.865%  kept
          QE    PHE   59 - HA    LEU   63   6.47 +/- 0.92   4.218% *  3.9673% (0.14   0.54   0.16) =   0.375%
          HN    LYS+  81 - HA    LEU   63  25.13 +/- 1.13   0.001% *  1.0349% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 7.52, residual support = 241.3:
      O   HN    LEU   63 - HA    LEU   63   2.79 +/- 0.04  99.985% * 99.6457% (1.00  10.0   7.52 241.31) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  13.45 +/- 0.77   0.009% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  15.29 +/- 1.45   0.004% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  19.52 +/- 1.31   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  22.76 +/- 1.17   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  22.08 +/- 1.32   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  26.13 +/- 1.16   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 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 11.6:
        T HA    PHE   60 - HB2   LEU   63   3.03 +/- 0.42  99.052% * 98.4768% (0.49 10.00   1.50  11.61) =  99.999%  kept
          HA    ALA  120 - HB2   LEU   63   9.15 +/- 1.50   0.351% *  0.1419% (0.53  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB2   LEU   63  10.74 +/- 1.14   0.085% *  0.2644% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   LEU   63   7.94 +/- 0.21   0.377% *  0.0472% (0.18  1.00   0.02   1.18) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  11.45 +/- 1.28   0.061% *  0.2490% (0.92  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  13.02 +/- 1.45   0.027% *  0.2340% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  11.79 +/- 0.79   0.041% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  18.16 +/- 0.98   0.003% *  0.2603% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  18.09 +/- 1.35   0.003% *  0.2062% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  21.51 +/- 1.05   0.001% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 6.78, residual support = 53.4:
          HN    ALA   64 - HB2   LEU   63   3.16 +/- 0.19 100.000% *100.0000% (0.57   6.78  53.41) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 2.71, residual support = 16.5:
          QE    PHE   72 - HB2   LEU   63   3.96 +/- 1.16  99.810% * 99.3651% (0.99   2.71  16.49) =  99.999%  kept
          HN    ALA   47 - HB2   LEU   63  14.51 +/- 1.31   0.167% *  0.3312% (0.45   0.02   0.02) =   0.001%
          HD22  ASN   28 - HB2   LEU   63  19.52 +/- 1.24   0.023% *  0.3037% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 2 structures by 0.46 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.87, residual support = 241.3:
      O   HN    LEU   63 - HB2   LEU   63   2.09 +/- 0.09  99.994% * 99.6457% (1.00  10.0   7.87 241.31) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  11.40 +/- 0.88   0.004% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  13.43 +/- 1.29   0.002% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  17.50 +/- 1.25   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  20.20 +/- 1.21   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  20.15 +/- 1.32   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  25.28 +/- 1.22   0.000% *  0.0308% (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 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.54, residual support = 42.4:
          HN    ASP-  62 - HB2   LEU   63   4.42 +/- 0.08  99.769% * 98.5497% (0.76   4.54  42.45) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.82 +/- 0.90   0.115% *  0.5092% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  14.62 +/- 0.92   0.082% *  0.2334% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  18.07 +/- 1.17   0.024% *  0.4742% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  20.64 +/- 1.19   0.010% *  0.2334% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.73, residual support = 53.4:
          HN    ALA   64 - HB3   LEU   63   3.82 +/- 0.43 100.000% *100.0000% (0.57   6.73  53.41) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.03, residual support = 16.5:
        T HZ    PHE   72 - HB3   LEU   63   4.36 +/- 1.62  99.828% * 99.9822% (0.87 10.00   3.03  16.49) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  16.36 +/- 1.73   0.172% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 8 structures by 0.88 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.51, residual support = 241.3:
      O   HN    LEU   63 - HB3   LEU   63   3.35 +/- 0.12  99.935% * 99.6457% (1.00  10.0   7.51 241.31) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.93 +/- 0.99   0.033% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  14.08 +/- 1.24   0.021% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  17.47 +/- 1.52   0.006% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  20.80 +/- 1.44   0.002% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  20.24 +/- 1.66   0.002% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  24.73 +/- 1.51   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 7.45, residual support = 241.3:
          HN    LEU   63 - HG    LEU   63   3.35 +/- 0.34  91.287% * 98.9269% (0.76   7.45 241.31) =  99.993%  kept
          QE    PHE   60 - HG    LEU   63   6.84 +/- 1.78   8.636% *  0.0688% (0.20   0.02  11.61) =   0.007%
          HN    ILE   56 - HG    LEU   63  12.42 +/- 0.78   0.040% *  0.2248% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  13.79 +/- 1.83   0.025% *  0.0966% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  17.82 +/- 2.15   0.006% *  0.2656% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  20.57 +/- 2.30   0.002% *  0.3208% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  20.92 +/- 2.03   0.002% *  0.0966% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.14, support = 3.16, residual support = 11.5:
        T HA    PHE   60 - QD1   LEU   63   2.91 +/- 0.62  93.078% * 78.6620% (0.14 10.00   3.18  11.61) =  99.431%  kept
          HA    ALA  120 - QD1   LEU   63   7.49 +/- 1.64   3.546% * 11.5590% (0.95  1.00   0.42   0.02) =   0.557%  kept
          QB    SER  117 - QD1   LEU   63   7.91 +/- 1.11   0.626% *  0.3525% (0.61  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 121 - QD1   LEU  104   7.99 +/- 1.74   1.486% *  0.1313% (0.23  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 121 - QD1   LEU   63   8.85 +/- 1.06   0.331% *  0.5366% (0.92  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - QD1   LEU   63   8.29 +/- 0.38   0.237% *  0.3291% (0.57  1.00   0.02   1.18) =   0.001%
          HB    THR   94 - QD1   LEU   63   9.80 +/- 1.88   0.138% *  0.5609% (0.97  1.00   0.02   0.02) =   0.001%
        T HA    PHE   60 - QD1   LEU   73  10.55 +/- 0.66   0.071% *  0.7866% (0.14 10.00   0.02   1.32) =   0.001%
          HB    THR   94 - QD1   LEU   73  10.75 +/- 0.73   0.054% *  0.5609% (0.97  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  11.75 +/- 1.08   0.042% *  0.3760% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU  104  11.04 +/- 1.83   0.114% *  0.1346% (0.23  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   63  11.14 +/- 0.63   0.040% *  0.3760% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  12.63 +/- 0.71   0.026% *  0.3291% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  12.66 +/- 0.55   0.020% *  0.3760% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  13.83 +/- 0.95   0.012% *  0.5799% (1.00  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  10.52 +/- 0.85   0.074% *  0.0863% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  12.90 +/- 1.46   0.032% *  0.1925% (0.03 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  15.02 +/- 1.39   0.007% *  0.5799% (1.00  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  16.82 +/- 1.53   0.007% *  0.5366% (0.92  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  15.15 +/- 0.87   0.007% *  0.5042% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  17.10 +/- 1.71   0.006% *  0.5498% (0.95  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  14.02 +/- 0.97   0.015% *  0.1373% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  16.25 +/- 0.62   0.005% *  0.3525% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  17.02 +/- 1.61   0.003% *  0.3760% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  18.85 +/- 1.21   0.002% *  0.5042% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  15.09 +/- 1.40   0.009% *  0.0805% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  15.78 +/- 1.70   0.007% *  0.0920% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  17.72 +/- 0.96   0.003% *  0.0920% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  21.37 +/- 1.19   0.001% *  0.1420% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  24.15 +/- 1.39   0.001% *  0.1234% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 1.96, residual support = 14.3:
        T HZ3   TRP   27 - QD1   LEU   73   3.23 +/- 1.28  95.390% * 98.4111% (0.49 10.00   1.96  14.30) =  99.989%  kept
          HZ    PHE   45 - QD1   LEU   73   6.83 +/- 0.85   3.364% *  0.1501% (0.73  1.00   0.02   0.02) =   0.005%
        T HZ3   TRP   27 - QD1   LEU   63  11.12 +/- 2.01   0.381% *  1.0059% (0.49 10.00   0.02   0.02) =   0.004%
          HZ    PHE   45 - QD1   LEU   63  11.24 +/- 2.08   0.562% *  0.1501% (0.73  1.00   0.02   0.02) =   0.001%
        T HZ3   TRP   27 - QD1   LEU  104  11.34 +/- 1.78   0.140% *  0.2462% (0.12 10.00   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU  104  12.75 +/- 1.20   0.163% *  0.0367% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 3 structures by 0.37 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.757, support = 1.11, residual support = 8.11:
          QD    PHE   60 - QD1   LEU   63   3.93 +/- 1.08  32.449% * 44.0937% (0.87   1.36  11.61) =  68.274%  kept
          QE    PHE   59 - QD1   LEU   63   3.18 +/- 1.26  64.491% *  9.5659% (0.49   0.53   0.16) =  29.438%  kept
          HN    LYS+  66 - QD1   LEU   63   6.17 +/- 0.26   1.106% * 43.0208% (0.95   1.22   6.13) =   2.270%  kept
          HN    PHE   59 - QD1   LEU   63   6.08 +/- 0.67   1.622% *  0.1310% (0.18   0.02   0.16) =   0.010%
          QD    PHE   60 - QD1   LEU   73   8.27 +/- 0.78   0.200% *  0.6489% (0.87   0.02   1.32) =   0.006%
          HN    LYS+  66 - QD1   LEU   73  12.87 +/- 0.42   0.012% *  0.7077% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  11.91 +/- 0.71   0.017% *  0.3936% (0.53   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU   73  12.17 +/- 1.99   0.015% *  0.3641% (0.49   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  12.13 +/- 1.97   0.035% *  0.1588% (0.21   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU  104  11.05 +/- 1.51   0.032% *  0.0891% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  13.28 +/- 1.29   0.010% *  0.1732% (0.23   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  14.44 +/- 0.80   0.006% *  0.1310% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  18.28 +/- 1.91   0.001% *  0.3936% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  16.20 +/- 1.27   0.003% *  0.0321% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  21.36 +/- 1.04   0.001% *  0.0963% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.755, support = 6.37, residual support = 235.3:
          HN    LEU   63 - QD1   LEU   63   3.47 +/- 0.49  73.835% * 74.5693% (0.76   6.50 241.31) =  97.406%  kept
          QE    PHE   60 - QD1   LEU   63   5.04 +/- 1.21  20.459% *  5.0510% (0.20   1.70  11.61) =   1.828%  kept
          HD21  ASN   28 - QD1   LEU   73   6.59 +/- 0.77   2.335% * 18.3484% (0.92   1.32   0.32) =   0.758%  kept
          HZ2   TRP   87 - QD1   LEU   73   7.12 +/- 0.67   1.305% *  0.2296% (0.76   0.02   0.02) =   0.005%
          QE    PHE   60 - QD1   LEU   73   7.46 +/- 1.24   1.211% *  0.0594% (0.20   0.02   1.32) =   0.001%
          HN    ILE   56 - QD1   LEU   63   9.52 +/- 0.78   0.206% *  0.1943% (0.65   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU   63  10.09 +/- 1.28   0.170% *  0.0835% (0.28   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   73  12.26 +/- 0.65   0.045% *  0.2296% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73  10.65 +/- 0.65   0.102% *  0.0835% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  13.59 +/- 1.98   0.033% *  0.2296% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  16.17 +/- 2.03   0.010% *  0.2773% (0.92   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  11.92 +/- 2.70   0.170% *  0.0146% (0.05   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  12.46 +/- 1.05   0.038% *  0.0562% (0.19   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  15.91 +/- 1.22   0.010% *  0.1943% (0.65   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  13.24 +/- 1.30   0.030% *  0.0562% (0.19   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  16.02 +/- 1.86   0.011% *  0.0835% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  15.78 +/- 1.16   0.009% *  0.0679% (0.23   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  17.35 +/- 1.13   0.006% *  0.0835% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.62 +/- 0.94   0.010% *  0.0204% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  18.81 +/- 1.38   0.003% *  0.0476% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  18.11 +/- 1.07   0.004% *  0.0204% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.7:
      O   HN    ALA   64 - HA    ALA   64   2.82 +/- 0.04 100.000% *100.0000% (0.97  10.0   4.22  20.75) = 100.000%  kept
    Distance limit 3.47 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 = 0.736, support = 2.93, residual support = 38.1:
        T QD    PHE   72 - HA    ALA   64   3.09 +/- 0.45  45.748% * 60.4788% (0.87 10.00   3.15  38.11) =  56.373%  kept
        T HZ    PHE   72 - HA    ALA   64   3.08 +/- 0.57  54.244% * 39.4733% (0.57 10.00   2.64  38.11) =  43.626%  kept
          QE    PHE   45 - HA    ALA   64  12.84 +/- 0.91   0.008% *  0.0479% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.979, residual support = 3.65:
          HN    LEU   67 - HA    ALA   64   3.26 +/- 0.35  99.371% * 91.2192% (0.87   0.98   3.65) =  99.986%  kept
          QE    PHE   95 - HA    ALA   64   9.22 +/- 1.64   0.574% *  2.1065% (0.98   0.02   0.02) =   0.013%
          HE3   TRP   27 - HA    ALA   64  13.75 +/- 0.85   0.024% *  1.2167% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  15.89 +/- 1.17   0.010% *  1.3903% (0.65   0.02   0.02) =   0.000%
          HN    THR   23 - HA    ALA   64  17.22 +/- 0.66   0.006% *  2.1301% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  14.99 +/- 0.87   0.014% *  0.8066% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  21.98 +/- 1.61   0.002% *  1.1307% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 2.34, residual support = 8.67:
          QG2   VAL   18 - QB    ALA   64   2.52 +/- 0.47  98.317% * 95.6998% (0.84   2.34   8.67) =  99.992%  kept
          QD2   LEU   73 - QB    ALA   64   6.03 +/- 0.44   0.839% *  0.3669% (0.38   0.02   0.13) =   0.003%
          QD1   ILE   19 - QB    ALA   64   7.10 +/- 0.98   0.454% *  0.3669% (0.38   0.02   0.02) =   0.002%
          QG1   VAL   43 - QB    ALA   64   8.50 +/- 0.51   0.106% *  0.9582% (0.98   0.02   0.02) =   0.001%
          QG2   THR   46 - QB    ALA   64   8.51 +/- 0.82   0.115% *  0.7099% (0.73   0.02   0.02) =   0.001%
          QG1   VAL   41 - QB    ALA   64   9.95 +/- 0.70   0.040% *  0.9689% (0.99   0.02   0.02) =   0.000%
          QD1   ILE   56 - QB    ALA   64   8.77 +/- 0.91   0.107% *  0.1712% (0.18   0.02   0.02) =   0.000%
          HG    LEU   31 - QB    ALA   64  13.08 +/- 0.55   0.008% *  0.5143% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  104 - QB    ALA   64  12.33 +/- 1.21   0.013% *  0.2438% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.924, support = 1.17, residual support = 6.56:
          QB    ALA   61 - QB    ALA   64   3.79 +/- 0.26  72.249% * 19.4582% (0.92   1.15   7.42) =  75.550%  kept
          HB3   LEU   67 - QB    ALA   64   5.44 +/- 0.92  13.033% * 22.9936% (0.99   1.27   3.65) =  16.105%  kept
          QG    LYS+  66 - QB    ALA   64   6.23 +/- 0.43   3.978% * 21.1604% (0.98   1.18   7.02) =   4.524%  kept
          HG    LEU   73 - QB    ALA   64   7.59 +/- 0.63   1.226% * 21.9429% (0.87   1.38   0.13) =   1.446%  kept
          HG    LEU   67 - QB    ALA   64   6.12 +/- 1.06   6.799% *  3.6247% (0.28   0.71   3.65) =   1.324%  kept
          HG12  ILE   19 - QB    ALA   64   7.40 +/- 1.01   2.033% *  9.5732% (0.65   0.81   0.02) =   1.046%  kept
          HG    LEU   40 - QB    ALA   64   9.47 +/- 0.86   0.366% *  0.1373% (0.38   0.02   0.02) =   0.003%
          HB3   LEU  115 - QB    ALA   64  11.18 +/- 1.22   0.136% *  0.1373% (0.38   0.02   0.02) =   0.001%
          QB    ALA  110 - QB    ALA   64  12.90 +/- 1.48   0.057% *  0.2656% (0.73   0.02   0.02) =   0.001%
          HG    LEU   80 - QB    ALA   64  14.73 +/- 0.87   0.024% *  0.2796% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  17.77 +/- 2.34   0.016% *  0.2796% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   64  13.12 +/- 1.51   0.064% *  0.0564% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  15.14 +/- 0.93   0.019% *  0.0912% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 1.75, residual support = 4.06:
          HB3   LEU   67 - HA    ALA   64   4.32 +/- 1.00  58.162% * 39.5990% (0.99   1.82   3.65) =  79.142%  kept
          HG    LEU   67 - HA    ALA   64   5.24 +/- 0.92  25.481% * 10.2943% (0.28   1.69   3.65) =   9.014%  kept
          QG    LYS+  66 - HA    ALA   64   6.33 +/- 0.53   7.448% * 32.7734% (0.98   1.53   7.02) =   8.388%  kept
          QB    ALA   61 - HA    ALA   64   6.36 +/- 0.18   6.590% * 15.1751% (0.92   0.75   7.42) =   3.436%  kept
          HG    LEU   73 - HA    ALA   64   9.51 +/- 0.85   0.692% *  0.3803% (0.87   0.02   0.13) =   0.009%
          HG12  ILE   19 - HA    ALA   64   9.98 +/- 1.41   0.583% *  0.2836% (0.65   0.02   0.02) =   0.006%
          HG    LEU   40 - HA    ALA   64   9.63 +/- 1.01   0.735% *  0.1645% (0.38   0.02   0.02) =   0.004%
          HB3   LEU  115 - HA    ALA   64  13.35 +/- 1.43   0.092% *  0.1645% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HA    ALA   64  19.79 +/- 3.06   0.041% *  0.3350% (0.76   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ALA   64  15.86 +/- 1.62   0.031% *  0.3183% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   64  14.05 +/- 2.04   0.124% *  0.0676% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  18.77 +/- 1.10   0.011% *  0.3350% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  19.28 +/- 1.15   0.010% *  0.1093% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.48, residual support = 38.1:
        T HB3   PHE   72 - QB    ALA   64   2.82 +/- 0.43  97.573% * 99.3598% (0.76 10.00   2.48  38.11) =  99.997%  kept
          HB2   ASP-  44 - QB    ALA   64   6.35 +/- 0.80   1.356% *  0.1128% (0.87  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QB    ALA   64   7.34 +/- 0.83   0.629% *  0.1230% (0.95  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QB    ALA   64   9.46 +/- 1.10   0.227% *  0.1086% (0.84  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QB    ALA   64   8.61 +/- 0.73   0.198% *  0.0443% (0.34  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    ALA   64  16.02 +/- 1.21   0.006% *  0.1166% (0.90  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  16.21 +/- 0.91   0.004% *  0.0893% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  16.34 +/- 1.55   0.004% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  16.78 +/- 1.45   0.003% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 2.52, residual support = 7.42:
        T HA    ALA   61 - QB    ALA   64   2.51 +/- 0.46  99.470% * 99.8142% (1.00 10.00   2.52   7.42) = 100.000%  kept
          HD2   PRO   68 - QB    ALA   64   7.09 +/- 0.64   0.455% *  0.0923% (0.92  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QB    ALA   64   9.30 +/- 0.62   0.048% *  0.0487% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  10.96 +/- 0.44   0.023% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  14.92 +/- 0.67   0.003% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 1.84, residual support = 8.67:
          HA    VAL   18 - QB    ALA   64   3.46 +/- 0.40  98.240% * 92.8641% (0.90   1.84   8.67) =  99.991%  kept
          HA    VAL   70 - QB    ALA   64   7.45 +/- 0.62   1.527% *  0.4639% (0.41   0.02   0.02) =   0.008%
          HA    GLN  116 - QB    ALA   64  10.72 +/- 0.99   0.152% *  0.4639% (0.41   0.02   0.02) =   0.001%
          HA    LYS+  33 - QB    ALA   64  14.80 +/- 0.69   0.021% *  0.8193% (0.73   0.02   0.02) =   0.000%
          HA    SER   48 - QB    ALA   64  15.19 +/- 0.96   0.016% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  15.94 +/- 0.49   0.012% *  0.9788% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  16.22 +/- 0.58   0.012% *  0.8193% (0.73   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA   64  15.64 +/- 0.86   0.014% *  0.5936% (0.53   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  19.67 +/- 0.49   0.003% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  19.33 +/- 0.73   0.004% *  0.8623% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 1.22, residual support = 2.45:
        T HA    GLN   17 - QB    ALA   64   3.19 +/- 0.35  99.251% * 94.1718% (0.49 10.00   1.22   2.45) =  99.979%  kept
        T HA    VAL   42 - QB    ALA   64   8.01 +/- 0.67   0.599% *  3.0995% (0.98 10.00   0.02   0.02) =   0.020%
        T HA    PHE   55 - QB    ALA   64  13.53 +/- 1.35   0.027% *  2.1721% (0.69 10.00   0.02   0.02) =   0.001%
          HA    THR   46 - QB    ALA   64  11.22 +/- 0.98   0.088% *  0.1300% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   64  14.46 +/- 2.00   0.018% *  0.1187% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   64  15.25 +/- 0.85   0.010% *  0.1539% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  16.77 +/- 1.34   0.007% *  0.1539% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.25, residual support = 8.67:
          HN    VAL   18 - QB    ALA   64   3.48 +/- 0.50  99.937% * 99.5979% (1.00   2.25   8.67) = 100.000%  kept
          HN    SER   13 - QB    ALA   64  13.33 +/- 0.92   0.046% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  15.33 +/- 0.49   0.017% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.97, residual support = 38.1:
        T QD    PHE   72 - QB    ALA   64   2.45 +/- 0.34  95.000% * 86.2307% (0.87 10.00   4.97  38.11) =  99.174%  kept
          HZ    PHE   72 - QB    ALA   64   4.31 +/- 0.46   4.977% * 13.7010% (0.57  1.00   4.87  38.11) =   0.826%  kept
          QE    PHE   45 - QB    ALA   64  10.42 +/- 0.63   0.023% *  0.0683% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.22, residual support = 20.7:
      O   HN    ALA   64 - QB    ALA   64   2.06 +/- 0.08 100.000% *100.0000% (0.57  10.0   4.22  20.75) = 100.000%  kept
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.08, residual support = 162.7:
      O   HN    LYS+  65 - HA    LYS+  65   2.82 +/- 0.03  99.995% * 99.9887% (0.71  10.0   6.08 162.70) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  14.82 +/- 0.92   0.005% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.839, support = 0.0199, residual support = 0.0199:
          HN    GLY   16 - HA    LYS+  65   6.87 +/- 1.31  68.635% * 34.8898% (0.87   0.02   0.02) =  95.678%  kept
          HN    SER  117 - HA    LYS+ 121   8.13 +/- 0.64  30.859% *  3.1809% (0.08   0.02   0.02) =   3.922%  kept
          HN    SER  117 - HA    LYS+  65  17.27 +/- 0.69   0.313% * 28.1870% (0.71   0.02   0.02) =   0.352%
          HN    GLY   16 - HA    LYS+ 121  19.15 +/- 1.35   0.160% *  3.9373% (0.10   0.02   0.02) =   0.025%
          HN    SER   82 - HA    LYS+  65  27.12 +/- 0.67   0.020% * 26.7825% (0.67   0.02   0.02) =   0.021%
          HN    SER   82 - HA    LYS+ 121  29.29 +/- 1.07   0.013% *  3.0224% (0.08   0.02   0.02) =   0.002%
    Distance limit 3.38 A violated in 20 structures by 2.94 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.63, residual support = 26.6:
          HN    LYS+  65 - QB    ALA   64   2.62 +/- 0.21 100.000% *100.0000% (0.31   4.63  26.62) = 100.000%  kept
    Distance limit 3.25 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 = 38.1:
          QE    PHE   72 - HA    ALA   64   2.64 +/- 0.23  99.999% * 99.3365% (0.65   4.01  38.11) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  18.27 +/- 0.72   0.001% *  0.6635% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 1.67, residual support = 3.17:
          HA    ASP-  62 - QB    LYS+  65   2.73 +/- 0.58  99.990% * 97.6792% (0.80   1.67   3.17) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.40 +/- 0.91   0.008% *  0.3250% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  19.87 +/- 1.05   0.001% *  0.8264% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  26.30 +/- 0.50   0.000% *  0.9442% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  23.50 +/- 0.82   0.000% *  0.2252% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.63, residual support = 162.7:
      O   HN    LYS+  65 - QB    LYS+  65   2.28 +/- 0.14 100.000% *100.0000% (0.76  10.0   6.63 162.70) = 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 = 5.89, residual support = 25.2:
          HN    LYS+  66 - QB    LYS+  65   3.07 +/- 0.12  99.516% * 98.6974% (0.53   5.89  25.18) =  99.998%  kept
          QD    PHE   60 - QB    LYS+  65   8.05 +/- 0.65   0.353% *  0.6143% (0.97   0.02   0.02) =   0.002%
          QE    PHE   59 - QB    LYS+  65   9.47 +/- 0.57   0.131% *  0.0861% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  24.11 +/- 0.66   0.000% *  0.6022% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.44, residual support = 162.7:
          HN    LYS+  65 - HG2   LYS+  65   2.80 +/- 0.49 100.000% *100.0000% (0.31   5.44 162.70) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.859, support = 5.24, residual support = 158.3:
      O T HA    LYS+  65 - HG3   LYS+  65   3.04 +/- 0.59  94.487% * 57.2471% (0.87  10.0 10.00   5.27 162.70) =  97.082%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.25 +/- 0.87   4.151% * 39.1477% (0.59   1.0 10.00   4.22  11.65) =   2.917%  kept
          HA2   GLY   16 - HG3   LYS+  65   7.31 +/- 1.86   1.035% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+ 102  14.61 +/- 2.00   0.018% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  24.13 +/- 3.43   0.006% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  17.70 +/- 1.77   0.004% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  11.80 +/- 0.59   0.042% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  33  14.47 +/- 2.48   0.021% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  16.43 +/- 2.18   0.012% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106  10.09 +/- 0.61   0.115% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  24.20 +/- 3.96   0.012% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  14.15 +/- 1.22   0.018% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.01 +/- 0.82   0.002% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  17.41 +/- 1.25   0.005% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  20.37 +/- 1.21   0.002% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  20.35 +/- 1.26   0.001% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  14.01 +/- 1.03   0.017% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  23.85 +/- 1.59   0.001% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  15.71 +/- 0.83   0.008% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  14.66 +/- 0.67   0.012% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.52 +/- 1.23   0.002% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  20.25 +/- 2.55   0.004% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  19.39 +/- 2.15   0.002% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  21.22 +/- 1.35   0.002% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  22.88 +/- 2.11   0.001% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  19.98 +/- 2.22   0.002% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  20.41 +/- 1.70   0.002% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  19.95 +/- 1.87   0.003% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  19.10 +/- 1.22   0.003% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.66 +/- 1.23   0.003% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.44 +/- 1.08   0.001% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  26.01 +/- 0.95   0.000% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  22.40 +/- 1.38   0.001% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  23.79 +/- 2.49   0.001% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  20.99 +/- 0.76   0.001% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  27.54 +/- 1.16   0.000% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.26 +/- 0.75   0.001% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  20.67 +/- 0.86   0.001% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.11 +/- 1.12   0.000% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.06 +/- 1.21   0.000% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  24.13 +/- 1.18   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.41 +/- 1.57   0.000% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  29.81 +/- 1.46   0.000% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  27.26 +/- 1.26   0.000% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.7, residual support = 22.0:
          HN    ASP- 105 - HG3   LYS+ 106   4.05 +/- 0.29  98.843% * 91.1984% (0.34   2.70  21.98) =  99.985%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.64 +/- 1.04   0.954% *  1.3109% (0.65   0.02   0.02) =   0.014%
          HN    ALA   88 - HG3   LYS+ 106  12.91 +/- 0.96   0.122% *  0.4780% (0.24   0.02   0.02) =   0.001%
          HN    ASP- 105 - HG3   LYS+  33  17.88 +/- 0.94   0.014% *  1.3911% (0.69   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  65  19.01 +/- 1.30   0.011% *  1.6109% (0.80   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  18.23 +/- 2.21   0.017% *  0.9269% (0.46   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  17.14 +/- 1.52   0.024% *  0.3104% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  22.36 +/- 1.09   0.004% *  0.9836% (0.49   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  26.48 +/- 1.07   0.001% *  1.1390% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  19.45 +/- 0.86   0.009% *  0.1303% (0.06   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  28.79 +/- 1.89   0.001% *  0.2526% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  28.65 +/- 1.72   0.001% *  0.2680% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.02, residual support = 112.9:
      O   HN    LYS+  66 - HA    LYS+  66   2.88 +/- 0.04  99.916% * 99.6126% (0.53  10.0   5.02 112.86) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.76 +/- 0.74   0.040% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66  10.72 +/- 0.97   0.044% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  29.05 +/- 0.72   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 5.0, residual support = 112.9:
      O   HN    LYS+  66 - QB    LYS+  66   2.20 +/- 0.11  99.890% * 99.6126% (0.53  10.0   5.00 112.86) = 100.000%  kept
          QD    PHE   60 - QB    LYS+  66   8.31 +/- 0.70   0.038% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - QB    LYS+  66   7.70 +/- 0.95   0.072% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  24.73 +/- 0.97   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.523, support = 4.51, residual support = 112.3:
          HN    LYS+  66 - QG    LYS+  66   3.19 +/- 0.50  87.691% * 93.8777% (0.53   4.52 112.86) =  99.413%  kept
          HN    LYS+  66 - HG    LEU   67   5.80 +/- 1.07  11.029% *  4.3841% (0.04   2.74  10.29) =   0.584%  kept
          QD    PHE   60 - QG    LYS+  66   9.08 +/- 0.66   0.189% *  0.7612% (0.97   0.02   0.02) =   0.002%
          QE    PHE   59 - QG    LYS+  66   7.89 +/- 1.26   0.643% *  0.1067% (0.14   0.02   0.02) =   0.001%
          QD    PHE   60 - HG    LEU   67  10.11 +/- 1.35   0.199% *  0.0586% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67  10.88 +/- 2.21   0.248% *  0.0082% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  25.70 +/- 1.07   0.000% *  0.7461% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  26.28 +/- 1.01   0.000% *  0.0574% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 4.69, residual support = 112.9:
          HN    LYS+  66 - QD    LYS+  66   4.01 +/- 0.53  94.627% * 98.1191% (0.53   4.69 112.86) =  99.994%  kept
          QD    PHE   60 - QD    LYS+  66  10.03 +/- 1.02   0.441% *  0.7671% (0.97   0.02   0.02) =   0.004%
          QE    PHE   59 - QD    LYS+  66   8.90 +/- 1.40   1.277% *  0.1076% (0.14   0.02   0.02) =   0.001%
          QE    PHE   59 - HD2   LYS+ 121   7.63 +/- 1.00   3.255% *  0.0134% (0.02   0.02   0.02) =   0.000%
          QD    PHE   60 - HD2   LYS+ 121  11.98 +/- 1.49   0.204% *  0.0954% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - HD2   LYS+ 121  12.88 +/- 2.13   0.192% *  0.0520% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  26.76 +/- 1.18   0.001% *  0.7519% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  26.91 +/- 0.96   0.001% *  0.0935% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.474, support = 3.15, residual support = 57.7:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  92.495% * 46.3097% (0.47  10.0 10.00   2.99  57.67) =  91.771%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.73 +/- 0.23   7.388% * 51.9824% (0.53  10.0  1.00   5.03  57.67) =   8.229%  kept
        T HG    LEU   40 - HB2   LEU   67   8.30 +/- 1.75   0.016% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB2   LEU   67   5.99 +/- 0.74   0.085% *  0.0598% (0.61   1.0  1.00   0.02  10.29) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.67 +/- 0.49   0.007% *  0.0348% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.64 +/- 1.55   0.000% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  10.82 +/- 1.07   0.002% *  0.0691% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  18.55 +/- 3.79   0.001% *  0.0714% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.87 +/- 1.52   0.000% *  0.1990% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  10.91 +/- 1.33   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  11.56 +/- 1.84   0.002% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  17.23 +/- 1.68   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  20.70 +/- 1.04   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.701, support = 3.31, residual support = 57.7:
      O T QD1   LEU   67 - HB2   LEU   67   2.20 +/- 0.11  99.696% * 98.6993% (0.70  10.0 10.00   3.31  57.67) =  99.999%  kept
        T QD2   LEU   40 - HB2   LEU   67   7.95 +/- 1.47   0.075% *  1.0025% (0.71   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LEU   67   7.43 +/- 1.15   0.222% *  0.0316% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  13.54 +/- 2.20   0.003% *  0.0917% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  14.18 +/- 0.90   0.002% *  0.0819% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  16.23 +/- 0.87   0.001% *  0.0703% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  14.65 +/- 2.11   0.002% *  0.0228% (0.16   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 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 57.7:
          HA    LEU   67 - QD2   LEU   67   2.40 +/- 0.56  99.999% * 98.8214% (0.53   2.76  57.67) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  18.05 +/- 0.77   0.001% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 3.08, residual support = 57.7:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  98.324% * 96.8242% (0.73  10.0  1.00   3.08  57.67) =  99.992%  kept
        T HG    LEU   40 - QD1   LEU   67   6.38 +/- 2.23   0.794% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LEU   40 - QD1   LEU   67   5.83 +/- 1.60   0.726% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - QD1   LEU   67   8.73 +/- 1.96   0.073% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   9.29 +/- 1.19   0.022% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD1   LEU   67  12.40 +/- 1.78   0.003% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  11.44 +/- 1.43   0.006% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  14.56 +/- 3.71   0.044% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67  12.07 +/- 2.12   0.006% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  12.24 +/- 1.16   0.003% *  0.0180% (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 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.31, residual support = 57.7:
      O T HB2   LEU   67 - QD1   LEU   67   2.20 +/- 0.11  94.799% * 98.3333% (0.31  10.0 10.00   3.31  57.67) =  99.995%  kept
          QB    GLU-  15 - QD1   LEU   67   7.45 +/- 3.03   4.981% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.005%
          HG2   PRO   68 - QD1   LEU   67   7.08 +/- 0.53   0.103% *  0.2941% (0.92   1.0  1.00   0.02  18.30) =   0.000%
          HB    ILE   19 - QD1   LEU   67   9.91 +/- 1.96   0.033% *  0.2764% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   LEU   67   9.21 +/- 2.09   0.074% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  12.78 +/- 1.96   0.004% *  0.2188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  13.00 +/- 2.33   0.004% *  0.2551% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  13.65 +/- 1.28   0.002% *  0.2313% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  16.34 +/- 2.31   0.001% *  0.0709% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  19.73 +/- 1.15   0.000% *  0.1428% (0.45   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 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.26, residual support = 57.7:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  80.023% * 99.2738% (0.87  10.0  1.00   2.26  57.67) =  99.991%  kept
        T QD1   LEU   40 - HG    LEU   67   6.03 +/- 1.67   0.960% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU   67 - QG    LYS+  66   4.67 +/- 1.32   4.405% *  0.0076% (0.07   1.0  1.00   0.02  10.29) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   4.20 +/- 1.74  14.420% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG    LEU   67   7.35 +/- 1.70   0.175% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.00 +/- 1.25   0.017% *  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 = 0.433, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - QD1   LEU   67   7.99 +/- 2.44  88.130% * 12.0360% (0.22   0.02   0.02) =  66.765%  kept
          QG2   ILE   89 - QD1   LEU   67  13.69 +/- 0.99   6.266% * 52.9912% (0.98   0.02   0.02) =  20.900%  kept
          QG1   VAL   83 - QD1   LEU   67  14.33 +/- 1.03   5.604% * 34.9728% (0.65   0.02   0.02) =  12.335%  kept
    Distance limit 3.08 A violated in 20 structures by 4.66 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.905, support = 3.69, residual support = 35.2:
        T HZ    PHE   72 - QD1   LEU   67   3.09 +/- 0.91  72.250% * 75.7718% (0.97 10.00   3.96  35.22) =  89.080%  kept
        T QD    PHE   72 - QD1   LEU   67   4.30 +/- 1.03  27.721% * 24.2087% (0.41 10.00   1.50  35.22) =  10.920%  kept
          QE    PHE   45 - QD1   LEU   67  11.71 +/- 1.32   0.028% *  0.0196% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.13, residual support = 35.2:
          QE    PHE   72 - QD1   LEU   67   3.02 +/- 0.47  99.660% * 99.2771% (0.80   4.13  35.22) =  99.999%  kept
          QD    PHE   95 - QD1   LEU   67   8.79 +/- 1.76   0.335% *  0.1851% (0.31   0.02   0.02) =   0.001%
          HN    ALA   47 - QD1   LEU   67  16.53 +/- 0.81   0.005% *  0.5378% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.567, support = 0.0198, residual support = 0.0198:
          HA    ALA  124 - HG    LEU   67  11.93 +/- 2.16  19.854% *  6.6623% (0.84  1.00   0.02   0.02) =  46.611%  kept
        T HA    LEU  115 - HG    LEU   67  14.65 +/- 2.15   4.909% * 15.7849% (0.20 10.00   0.02   0.02) =  27.304%  kept
        T HA    ARG+  54 - HG    LEU   67  20.35 +/- 2.01   0.580% * 57.9196% (0.73 10.00   0.02   0.02) =  11.830%  kept
          HA    ALA  124 - QG    LYS+  66   9.83 +/- 1.20  47.287% *  0.5129% (0.06  1.00   0.02   0.02) =   8.546%  kept
          HA    GLU-  36 - HG    LEU   67  18.65 +/- 1.43   1.223% *  7.5452% (0.95  1.00   0.02   0.02) =   3.252%  kept
          HA    LEU  115 - QG    LYS+  66  11.58 +/- 1.52  21.364% *  0.1215% (0.02  1.00   0.02   0.02) =   0.915%  kept
          HA    ASN   28 - HG    LEU   67  19.06 +/- 0.92   0.941% *  1.7758% (0.22  1.00   0.02   0.02) =   0.589%  kept
          HA    ARG+  54 - QG    LYS+  66  15.93 +/- 1.15   2.773% *  0.4459% (0.06  1.00   0.02   0.02) =   0.436%
          HA    LYS+  81 - HG    LEU   67  25.77 +/- 0.92   0.140% *  7.9057% (0.99  1.00   0.02   0.02) =   0.391%
          HA    GLU-  36 - QG    LYS+  66  22.21 +/- 1.01   0.332% *  0.5808% (0.07  1.00   0.02   0.02) =   0.068%
          HA    LYS+  81 - QG    LYS+  66  24.96 +/- 1.01   0.176% *  0.6086% (0.08  1.00   0.02   0.02) =   0.038%
          HA    ASN   28 - QG    LYS+  66  21.47 +/- 0.80   0.421% *  0.1367% (0.02  1.00   0.02   0.02) =   0.020%
    Distance limit 3.87 A violated in 20 structures by 4.58 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.68, residual support = 57.7:
      O   HA    LEU   67 - HG    LEU   67   3.10 +/- 0.51  92.718% * 99.3233% (0.15  10.0   3.68  57.67) =  99.999%  kept
          HA    LEU   67 - QG    LYS+  66   5.50 +/- 0.83   7.278% *  0.0076% (0.01   1.0   0.02  10.29) =   0.001%
          HA    ASP-  76 - HG    LEU   67  20.51 +/- 1.03   0.002% *  0.6212% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  19.40 +/- 0.99   0.002% *  0.0478% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.324, support = 0.0199, residual support = 0.0199:
          QD    PHE   60 - HG    LEU   67  10.11 +/- 1.35  25.145% *  5.4059% (0.18   0.02   0.02) =  39.591%  kept
          QE    PHE   95 - HG    LEU   67  12.01 +/- 1.71   9.359% * 11.5851% (0.38   0.02   0.02) =  31.581%  kept
          HE3   TRP   27 - HG    LEU   67  15.94 +/- 1.30   1.489% * 26.7757% (0.87   0.02   0.02) =  11.616%  kept
          QE    PHE   95 - QG    LYS+  66  10.29 +/- 1.40  21.614% *  0.8918% (0.03   0.02   0.02) =   5.614%  kept
          QD    PHE   60 - QG    LYS+  66   9.08 +/- 0.66  37.454% *  0.4162% (0.01   0.02   0.02) =   4.540%  kept
          QD    PHE   55 - HG    LEU   67  18.67 +/- 1.36   0.502% * 24.7171% (0.80   0.02   0.02) =   3.613%  kept
          QD    PHE   55 - QG    LYS+  66  14.03 +/- 1.59   3.148% *  1.9027% (0.06   0.02   0.02) =   1.744%  kept
          HN    THR   23 - HG    LEU   67  20.41 +/- 1.29   0.327% * 10.5293% (0.34   0.02   0.02) =   1.002%  kept
          HE3   TRP   27 - QG    LYS+  66  18.04 +/- 1.00   0.608% *  2.0612% (0.07   0.02   0.02) =   0.365%
          HN    LYS+  81 - HG    LEU   67  26.28 +/- 1.01   0.065% * 13.8391% (0.45   0.02   0.02) =   0.260%
          HN    THR   23 - QG    LYS+  66  21.25 +/- 0.82   0.219% *  0.8106% (0.03   0.02   0.02) =   0.052%
          HN    LYS+  81 - QG    LYS+  66  25.70 +/- 1.07   0.070% *  1.0653% (0.03   0.02   0.02) =   0.022%
    Distance limit 3.67 A violated in 20 structures by 3.95 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 2.99, residual support = 57.7:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.918% * 95.9469% (0.29  10.0 10.00   2.99  57.67) = 100.000%  kept
          HG2   PRO   68 - HB3   LEU   67   6.36 +/- 0.53   0.053% *  0.2870% (0.87   1.0  1.00   0.02  18.30) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  11.49 +/- 1.29   0.002% *  2.6965% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67   8.09 +/- 1.71   0.024% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67  10.46 +/- 1.33   0.003% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  16.52 +/- 1.79   0.000% *  0.2135% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  16.83 +/- 1.56   0.000% *  0.2489% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.85 +/- 0.87   0.000% *  0.2257% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  20.98 +/- 1.83   0.000% *  0.0692% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  23.73 +/- 0.88   0.000% *  0.1394% (0.42   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 2824 (5.03, 1.43, 42.52 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HB3   LEU   67  19.96 +/- 1.08 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.57 A violated in 20 structures by 16.39 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.1, residual support = 57.7:
      O   HN    LEU   67 - HB3   LEU   67   3.43 +/- 0.47  99.903% * 99.4441% (0.54  10.0   4.10  57.67) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67  11.96 +/- 1.74   0.082% *  0.0348% (0.19   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  18.09 +/- 1.00   0.005% *  0.1722% (0.93   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  18.82 +/- 1.30   0.005% *  0.1524% (0.82   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  19.63 +/- 0.98   0.003% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  25.67 +/- 1.33   0.001% *  0.1575% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.04, residual support = 57.7:
      O   HA    LEU   67 - HB2   LEU   67   2.84 +/- 0.24  99.999% * 99.8354% (0.38  10.0   5.04  57.67) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  19.09 +/- 0.52   0.001% *  0.1646% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 35.2:
          QE    PHE   72 - HB2   LEU   67   2.55 +/- 0.51  99.960% * 99.0338% (0.58   3.09  35.22) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67  10.68 +/- 1.50   0.039% *  0.2474% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  19.49 +/- 0.85   0.001% *  0.7188% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.77, residual support = 57.7:
      O   HN    LEU   67 - HB2   LEU   67   2.60 +/- 0.37  99.948% * 99.6033% (0.70  10.0   4.77  57.67) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67  10.97 +/- 1.71   0.042% *  0.0626% (0.44   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  17.43 +/- 0.65   0.002% *  0.0862% (0.61   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  14.99 +/- 0.97   0.005% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  19.19 +/- 0.55   0.001% *  0.0668% (0.47   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  19.37 +/- 1.21   0.001% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.71 +/- 1.15   0.001% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  24.61 +/- 1.39   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 35.2:
        T HZ    PHE   72 - HB2   LEU   67   2.81 +/- 0.77  99.995% * 99.9822% (0.63 10.00   2.96  35.22) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  16.88 +/- 1.36   0.005% *  0.0178% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.03 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   2.62 +/- 0.31  90.507% * 82.3820% (0.57  10.0 10.00   3.97  63.02) =  97.957%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.12   9.489% * 16.3856% (0.11  10.0  1.00   5.47  35.80) =   2.043%  kept
          HA    LYS+  38 - HB2   PRO   68  15.11 +/- 1.24   0.003% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  24.17 +/- 1.20   0.000% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.79 +/- 0.53   0.000% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  25.70 +/- 1.29   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 = 63.0:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.02  99.990% * 98.0584% (0.63  10.0 10.00   3.24  63.02) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  12.20 +/- 0.37   0.003% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.64 +/- 2.14   0.002% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  22.65 +/- 1.12   0.000% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.48 +/- 0.38   0.004% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.14 +/- 1.74   0.001% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.08 +/- 0.98   0.000% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  16.08 +/- 1.52   0.001% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.72 +/- 1.18   0.000% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  24.15 +/- 3.53   0.000% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  23.97 +/- 1.93   0.000% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  28.55 +/- 2.55   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 = 0.338, support = 5.82, residual support = 31.8:
      O   HN    ASN   69 - HB2   PRO   68   3.48 +/- 0.65  50.053% * 70.3051% (0.34  10.0   5.85  31.47) =  79.751%  kept
          HN    GLU-  25 - HB    VAL   24   3.51 +/- 0.64  46.775% * 18.3767% (0.31   1.0   5.88  33.87) =  19.481%  kept
          HN    ASN   28 - HB    VAL   24   5.70 +/- 0.25   3.120% * 10.8681% (0.66   1.0   1.62  11.41) =   0.768%  kept
          HN    ASP-  44 - HB    VAL   24  12.38 +/- 1.11   0.044% *  0.0678% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.86 +/- 0.85   0.005% *  0.0832% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.45 +/- 1.12   0.001% *  0.1650% (0.81   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  24.51 +/- 1.03   0.001% *  0.0573% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  26.05 +/- 1.33   0.000% *  0.0767% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.38, residual support = 63.0:
      O   HN    VAL   24 - HB    VAL   24   2.45 +/- 0.22 100.000% * 99.8774% (0.33  10.0   4.38  63.02) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  26.04 +/- 1.26   0.000% *  0.1226% (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 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.04, residual support = 35.8:
      O   HD3   PRO   68 - HG2   PRO   68   2.63 +/- 0.30  99.996% * 99.5120% (0.57  10.0   3.04  35.80) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  15.89 +/- 1.76   0.003% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  21.38 +/- 1.51   0.000% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  23.81 +/- 1.21   0.000% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  25.01 +/- 1.76   0.000% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  25.79 +/- 2.28   0.000% *  0.1189% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.91, residual support = 35.8:
      O   HD2   PRO   68 - HG2   PRO   68   2.56 +/- 0.29  99.981% * 99.8205% (0.63  10.0   2.91  35.80) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  12.14 +/- 1.22   0.016% *  0.0826% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  15.91 +/- 1.85   0.002% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  18.23 +/- 1.32   0.001% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  24.64 +/- 0.98   0.000% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.747, support = 4.74, residual support = 55.6:
      O   HD3   PRO   68 - HG3   PRO   68   2.57 +/- 0.30  61.846% * 72.5468% (0.84  10.0  1.00   4.77  35.80) =  84.627%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.85 +/- 0.16  34.872% * 23.1252% (0.27  10.0 10.00   4.64 166.11) =  15.210%  kept
          QB    PHE   55 - HG2   ARG+  54   5.38 +/- 1.32   2.770% *  3.1188% (0.20   1.0  1.00   3.52   3.53) =   0.163%
          HB3   CYS   53 - HG2   ARG+  54   6.32 +/- 0.85   0.448% *  0.0227% (0.26   1.0  1.00   0.02  32.28) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54   9.57 +/- 1.30   0.047% *  0.0201% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.70 +/- 1.13   0.015% *  0.0113% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  26.08 +/- 2.22   0.000% *  0.8666% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.12 +/- 1.90   0.001% *  0.0423% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.63 +/- 1.38   0.000% *  0.0664% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  24.13 +/- 1.19   0.000% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  25.27 +/- 1.90   0.000% *  0.0753% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  23.41 +/- 1.94   0.000% *  0.0194% (0.22   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 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.63, residual support = 35.8:
      O   HD2   PRO   68 - HG3   PRO   68   2.62 +/- 0.29  99.621% * 99.5569% (0.92  10.0  1.00   4.63  35.80) = 100.000%  kept
          HD3   PRO   58 - HG2   ARG+  54   7.84 +/- 1.37   0.356% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG3   PRO   68  12.44 +/- 1.04   0.010% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  15.88 +/- 1.16   0.003% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  13.55 +/- 1.97   0.009% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  18.51 +/- 1.20   0.001% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  24.87 +/- 1.23   0.000% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  23.56 +/- 1.84   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  22.72 +/- 2.42   0.000% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  31.72 +/- 1.79   0.000% *  0.0444% (0.04   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 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.14, residual support = 35.8:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  98.973% * 98.5022% (0.98  10.0 10.00   5.14  35.80) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   4.17 +/- 0.72   0.861% *  0.0070% (0.07   1.0  1.00   0.02  40.18) =   0.000%
          QB    PHE   55 - HD3   PRO   58   5.85 +/- 0.92   0.141% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  10.51 +/- 1.50   0.003% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   8.75 +/- 1.53   0.011% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.60 +/- 1.02   0.010% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  14.51 +/- 1.48   0.000% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  23.44 +/- 1.70   0.000% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.81 +/- 1.10   0.000% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  20.22 +/- 1.04   0.000% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  22.41 +/- 1.35   0.000% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  24.65 +/- 1.98   0.000% *  0.0768% (0.76   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 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.14, residual support = 35.8:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.994% * 99.4504% (0.92  10.0 10.00   5.14  35.80) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.81 +/- 0.97   0.002% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  10.51 +/- 1.50   0.003% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  16.81 +/- 1.10   0.000% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  23.44 +/- 1.70   0.000% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  15.57 +/- 1.17   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.79 +/- 0.80   0.000% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  23.76 +/- 0.96   0.000% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  19.78 +/- 0.89   0.000% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  28.41 +/- 0.61   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 = 5.02, residual support = 18.3:
      O   HA    LEU   67 - HD3   PRO   68   2.24 +/- 0.21  99.992% * 99.7870% (0.53  10.0   5.02  18.30) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93  11.80 +/- 1.47   0.008% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  22.71 +/- 0.99   0.000% *  0.1645% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  22.13 +/- 1.19   0.000% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 18.3:
      O   HA    LEU   67 - HD2   PRO   68   2.29 +/- 0.11  99.997% * 99.8155% (0.53  10.0   4.53  18.30) = 100.000%  kept
          HA    ASP-  76 - HD2   PRO   68  22.49 +/- 1.21   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   58  14.67 +/- 1.16   0.002% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.95 +/- 0.63   0.001% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.63, residual support = 61.2:
      O   HD21  ASN   69 - HB2   ASN   69   3.10 +/- 0.54  99.860% * 99.5864% (0.65  10.0   3.63  61.21) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69  10.57 +/- 1.26   0.133% *  0.1286% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  16.92 +/- 0.75   0.006% *  0.0475% (0.31   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  22.19 +/- 1.11   0.001% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  25.47 +/- 0.98   0.000% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  28.31 +/- 1.01   0.000% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.39, residual support = 61.2:
      O   HN    ASN   69 - HB2   ASN   69   3.51 +/- 0.49  99.951% * 99.9414% (0.97  10.0   5.39  61.21) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  14.21 +/- 1.72   0.045% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  20.28 +/- 0.90   0.004% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.59, residual support = 61.2:
      O   HD21  ASN   69 - HB3   ASN   69   2.91 +/- 0.54  99.913% * 99.7810% (0.99  10.0   3.59  61.21) = 100.000%  kept
          HN    GLN   17 - HB3   ASN   69  10.53 +/- 1.35   0.086% *  0.0987% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   ASN   69  25.91 +/- 1.04   0.000% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  22.67 +/- 1.08   0.001% *  0.0199% (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 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.88, residual support = 61.2:
      O   HN    ASN   69 - HB3   ASN   69   3.12 +/- 0.38  99.987% * 99.9414% (0.97  10.0   4.88  61.21) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  14.89 +/- 1.32   0.011% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  20.88 +/- 0.80   0.001% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.39, residual support = 61.2:
          HD21  ASN   69 - HA    ASN   69   3.58 +/- 0.43  98.663% * 90.6587% (0.20   3.39  61.21) =  99.986%  kept
          HN    GLN   17 - HA    ASN   69   8.33 +/- 1.28   1.311% *  0.9217% (0.34   0.02   0.02) =   0.014%
          HN    ALA   61 - HA    ASN   69  15.51 +/- 0.45   0.017% *  2.1636% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  22.09 +/- 0.59   0.002% *  2.6781% (0.99   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ASN   69  19.20 +/- 0.78   0.005% *  1.0141% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  27.60 +/- 0.82   0.001% *  1.9621% (0.73   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  25.01 +/- 0.48   0.001% *  0.6016% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2851 (6.35, 4.68, 53.57 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ3   TRP   27 - HA    ASN   69  15.24 +/- 1.73 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.50 A violated in 20 structures by 11.73 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.338, support = 0.0197, residual support = 0.0197:
          QG2   THR   77 - HA    SER   48   6.31 +/- 1.07  63.849% *  1.9923% (0.23  1.00   0.02   0.02) =  37.353%  kept
        T QB    ALA   88 - HB2   SER   82  10.67 +/- 0.11   2.987% * 37.0886% (0.42 10.00   0.02   0.02) =  32.533%  kept
          HG2   LYS+  99 - HA    VAL   70   8.76 +/- 1.05  11.390% *  3.6274% (0.41  1.00   0.02   0.02) =  12.132%  kept
          QG2   THR   77 - HB2   SER   82   9.31 +/- 0.62   7.067% *  4.2379% (0.48  1.00   0.02   0.02) =   8.794%  kept
          HG2   LYS+  38 - HA    VAL   70  11.25 +/- 0.94   2.617% *  4.6421% (0.53  1.00   0.02   0.02) =   3.568%  kept
          QG2   THR   23 - HB2   SER   82   8.98 +/- 0.60   8.814% *  0.9519% (0.11  1.00   0.02   0.02) =   2.464%  kept
        T QB    ALA   88 - HA    SER   48  14.80 +/- 1.73   0.369% * 17.4364% (0.20 10.00   0.02   0.02) =   1.891%  kept
          QG2   THR   77 - HA    VAL   70  17.71 +/- 0.38   0.149% *  8.7452% (0.99  1.00   0.02   0.02) =   0.382%
          HB2   LEU   31 - HA    VAL   70  13.13 +/- 0.71   0.923% *  1.3614% (0.15  1.00   0.02   0.02) =   0.369%
          QB    ALA   88 - HA    VAL   70  20.17 +/- 0.57   0.067% *  7.6536% (0.87  1.00   0.02   0.02) =   0.151%
          QG2   THR   23 - HA    SER   48  13.10 +/- 1.05   0.991% *  0.4475% (0.05  1.00   0.02   0.02) =   0.130%
          QG2   THR   23 - HA    VAL   70  17.30 +/- 1.03   0.183% *  1.9644% (0.22  1.00   0.02   0.02) =   0.106%
          HB2   LEU   31 - HB2   SER   82  14.93 +/- 0.97   0.418% *  0.6597% (0.07  1.00   0.02   0.02) =   0.081%
          HG2   LYS+ 111 - HA    VAL   70  24.05 +/- 1.66   0.025% *  1.7461% (0.20  1.00   0.02   0.02) =   0.013%
          HG2   LYS+  99 - HB2   SER   82  25.07 +/- 0.93   0.018% *  1.7578% (0.20  1.00   0.02   0.02) =   0.010%
          HG2   LYS+  38 - HB2   SER   82  26.50 +/- 1.27   0.013% *  2.2495% (0.25  1.00   0.02   0.02) =   0.009%
          HG2   LYS+ 111 - HA    SER   48  20.78 +/- 1.30   0.066% *  0.3978% (0.05  1.00   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - HB2   SER   82  26.32 +/- 1.77   0.015% *  0.8462% (0.10  1.00   0.02   0.02) =   0.004%
          HB2   LEU   31 - HA    SER   48  23.52 +/- 1.15   0.025% *  0.3102% (0.04  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HA    SER   48  29.03 +/- 0.81   0.007% *  0.8264% (0.09  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HA    SER   48  32.53 +/- 0.67   0.004% *  1.0576% (0.12  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 19 structures by 2.38 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 32.8:
      O   HN    LEU   71 - HA    VAL   70   2.28 +/- 0.03  99.987% * 99.7573% (0.87  10.0   5.17  32.79) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  10.82 +/- 1.01   0.010% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  18.19 +/- 0.74   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  21.37 +/- 1.17   0.000% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  18.51 +/- 1.58   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  22.38 +/- 0.87   0.000% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  18.43 +/- 1.17   0.000% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  21.40 +/- 1.62   0.000% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  23.09 +/- 0.67   0.000% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  27.60 +/- 1.10   0.000% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  20.71 +/- 2.04   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  27.74 +/- 0.99   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 = 0.981, support = 3.3, residual support = 42.3:
        T HZ    PHE   72 - HB    VAL   70   3.89 +/- 1.06  63.960% * 95.0244% (1.00 10.00   3.30  42.34) =  97.503%  kept
          QD    PHE   72 - HB    VAL   70   4.46 +/- 0.66  32.586% *  4.7738% (0.31  1.00   3.25  42.34) =   2.496%  kept
        T HZ    PHE   72 - QG    GLN   17   9.27 +/- 0.65   0.445% *  0.1765% (0.19 10.00   0.02   0.02) =   0.001%
          QD    PHE   72 - QG    GLN   17   6.56 +/- 0.70   2.927% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  13.48 +/- 0.69   0.053% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  14.95 +/- 0.74   0.029% *  0.0031% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 4.08, residual support = 42.3:
          QE    PHE   72 - HB    VAL   70   2.84 +/- 0.72  99.425% * 98.8653% (0.73   4.08  42.34) =  99.999%  kept
          QE    PHE   72 - QG    GLN   17   7.57 +/- 0.67   0.476% *  0.0899% (0.13   0.02   0.02) =   0.000%
          QD    PHE   95 - HB    VAL   70  11.10 +/- 1.28   0.072% *  0.2503% (0.38   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  13.18 +/- 0.90   0.021% *  0.0465% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  20.59 +/- 0.90   0.001% *  0.6308% (0.95   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  16.80 +/- 1.21   0.005% *  0.1172% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 83.1:
      O   HN    VAL   70 - HB    VAL   70   2.90 +/- 0.49  99.799% * 99.9336% (0.76  10.0   4.63  83.10) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   9.02 +/- 1.35   0.198% *  0.0186% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  22.78 +/- 0.45   0.001% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  18.67 +/- 0.76   0.002% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.15, residual support = 83.1:
          HN    VAL   70 - QG1   VAL   70   2.45 +/- 0.51  99.992% * 98.3845% (0.28   5.15  83.10) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  14.00 +/- 1.30   0.007% *  0.5156% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.23 +/- 1.05   0.001% *  1.1000% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 1.39, residual support = 1.26:
          HN    VAL   42 - QG2   VAL   70   4.04 +/- 0.23  89.335% * 60.0964% (0.35   1.42   1.34) =  94.084%  kept
          HN    LEU   73 - QG2   VAL   70   6.08 +/- 0.55   8.671% * 38.6449% (0.35   0.92   0.02) =   5.872%  kept
          HN    ILE   19 - QG2   VAL   70   7.83 +/- 0.58   1.994% *  1.2587% (0.52   0.02   0.02) =   0.044%
    Distance limit 3.73 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 = 0.285, support = 4.51, residual support = 35.9:
        T HB3   LEU   40 - QG2   VAL   70   2.18 +/- 0.36  82.126% * 28.5799% (0.22 10.00   3.99  35.94) =  79.315%  kept
        T HG    LEU   40 - QG2   VAL   70   3.30 +/- 0.38   8.796% * 69.3643% (0.54 10.00   6.53  35.94) =  20.618%  kept
          HB3   LEU   67 - QG2   VAL   70   3.98 +/- 1.44   7.023% *  0.2523% (0.15  1.00   0.26   0.02) =   0.060%
          HG    LEU   67 - QG2   VAL   70   4.63 +/- 0.91   1.777% *  0.0689% (0.53  1.00   0.02   0.02) =   0.004%
        T HG    LEU   73 - QG2   VAL   70   6.57 +/- 0.52   0.140% *  0.4497% (0.35 10.00   0.02   0.02) =   0.002%
        T HB3   LEU  115 - QG2   VAL   70  12.52 +/- 1.69   0.004% *  0.6936% (0.54 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  12.99 +/- 2.09   0.006% *  0.4497% (0.35 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   70   8.02 +/- 1.04   0.056% *  0.0312% (0.24  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  12.08 +/- 2.07   0.022% *  0.0531% (0.41  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70   9.97 +/- 1.63   0.025% *  0.0450% (0.35  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   9.01 +/- 0.80   0.024% *  0.0122% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.396, support = 2.9, residual support = 42.3:
        T QD    PHE   72 - QG2   VAL   70   3.07 +/- 0.72  56.136% * 53.1587% (0.43 10.00   1.84  42.34) =  59.298%  kept
        T HZ    PHE   72 - QG2   VAL   70   3.29 +/- 0.70  43.769% * 46.7974% (0.35 10.00   4.44  42.34) =  40.702%  kept
          QE    PHE   45 - QG2   VAL   70   9.69 +/- 0.53   0.095% *  0.0439% (0.33  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 5.28, residual support = 42.3:
          QE    PHE   72 - QG2   VAL   70   2.46 +/- 0.65  99.981% * 99.6727% (0.54   5.28  42.34) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  12.85 +/- 0.58   0.016% *  0.1287% (0.18   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  16.04 +/- 0.58   0.003% *  0.1985% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.46, residual support = 32.8:
          HN    LEU   71 - QG2   VAL   70   2.47 +/- 0.29  99.956% * 99.3868% (0.51   6.46  32.79) = 100.000%  kept
          HN    THR  118 - QG2   VAL   70  11.29 +/- 1.32   0.013% *  0.0904% (0.15   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   VAL   70  10.32 +/- 1.20   0.024% *  0.0440% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  13.30 +/- 1.64   0.006% *  0.1711% (0.28   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  15.58 +/- 1.31   0.002% *  0.3076% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.659, support = 2.92, residual support = 42.3:
        T HZ    PHE   72 - QG1   VAL   70   3.16 +/- 0.88  67.806% * 84.7250% (0.65 10.00   2.92  42.34) =  92.166%  kept
          QD    PHE   72 - QG1   VAL   70   3.98 +/- 1.31  32.136% * 15.1956% (0.80  1.00   2.90  42.34) =   7.834%  kept
          QE    PHE   45 - QG1   VAL   70  11.38 +/- 1.00   0.057% *  0.0794% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 2.06, residual support = 4.34:
          HA    VAL   41 - HB2   LEU   71   3.66 +/- 1.11  99.669% * 98.4512% (0.92   2.06   4.34) =  99.997%  kept
          HA    HIS  122 - HB2   LEU   71  13.57 +/- 2.86   0.213% *  1.0000% (0.97   0.02   0.02) =   0.002%
          HA    PHE   45 - HB2   LEU   71  13.41 +/- 0.36   0.110% *  0.3889% (0.38   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LEU   71  21.44 +/- 1.06   0.008% *  0.1599% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 7 structures by 0.56 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.37, residual support = 138.6:
      O   HN    LEU   71 - HB2   LEU   71   2.76 +/- 0.34  99.982% * 99.8011% (0.95  10.0   6.37 138.62) = 100.000%  kept
          HN    PHE   60 - HB2   LEU   71  14.53 +/- 1.21   0.011% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  17.30 +/- 1.37   0.004% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  19.54 +/- 1.72   0.002% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  21.97 +/- 1.36   0.001% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.29, residual support = 138.6:
      O   HN    LEU   71 - HB3   LEU   71   2.67 +/- 0.61  99.966% * 99.8011% (0.95  10.0   6.29 138.62) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  15.06 +/- 1.60   0.024% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  17.93 +/- 1.68   0.006% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  20.14 +/- 2.06   0.003% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  22.71 +/- 1.77   0.001% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 4.94, residual support = 138.6:
      O   HB2   LEU   71 - HG    LEU   71   2.42 +/- 0.10  98.981% * 99.3720% (0.97  10.0   4.94 138.62) = 100.000%  kept
          HB    VAL   41 - HG    LEU   71   8.20 +/- 1.62   0.172% *  0.0501% (0.49   1.0   0.02   4.34) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   6.14 +/- 1.21   0.667% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.80 +/- 1.59   0.028% *  0.0707% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE   19   8.38 +/- 1.14   0.085% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71  10.73 +/- 1.61   0.023% *  0.0501% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  13.19 +/- 1.28   0.006% *  0.1009% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  14.55 +/- 2.16   0.004% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  11.68 +/- 1.28   0.010% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  14.38 +/- 1.74   0.003% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  13.56 +/- 2.05   0.010% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  18.87 +/- 3.58   0.003% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  13.60 +/- 1.12   0.004% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  21.82 +/- 1.39   0.000% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  20.05 +/- 2.05   0.000% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  21.26 +/- 1.09   0.000% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  19.33 +/- 1.77   0.000% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  25.85 +/- 1.25   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  21.03 +/- 2.57   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  24.00 +/- 1.41   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 = 6.79, residual support = 138.6:
          HN    LEU   71 - QD2   LEU   71   3.59 +/- 0.50  99.862% * 99.7048% (0.87   6.79 138.62) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  11.76 +/- 1.18   0.127% *  0.0845% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  20.31 +/- 1.40   0.003% *  0.1649% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  17.93 +/- 1.69   0.007% *  0.0459% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.28, residual support = 19.7:
          HN    PHE   72 - QD2   LEU   71   3.17 +/- 0.33  99.963% * 99.5664% (0.73   5.28  19.72) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  13.02 +/- 1.14   0.037% *  0.4336% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 5.16, residual support = 39.4:
      O   HN    LEU   73 - HA    PHE   72   2.23 +/- 0.04  95.452% * 99.7786% (0.61  10.0   5.16  39.44) =  99.996%  kept
          HN    VAL   42 - HA    PHE   72   4.16 +/- 0.50   3.535% *  0.0998% (0.61   1.0   0.02   5.48) =   0.004%
          HN    ILE   19 - HA    PHE   72   4.92 +/- 0.41   1.011% *  0.0218% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    PHE   72  14.11 +/- 0.46   0.002% *  0.0998% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 90.1:
      O   HN    PHE   72 - HA    PHE   72   2.93 +/- 0.01  99.983% * 99.9786% (0.71  10.0   5.14  90.06) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  12.54 +/- 0.61   0.017% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.373, support = 2.65, residual support = 39.3:
          HG    LEU   73 - HA    PHE   72   3.88 +/- 0.75  86.836% * 70.5707% (0.37   2.67  39.44) =  99.278%  kept
          HB3   LEU   67 - HA    PHE   72   7.76 +/- 0.98   1.505% * 22.2156% (0.66   0.47  35.22) =   0.542%  kept
          HG12  ILE   19 - HA    PHE   72   7.23 +/- 1.25   9.093% *  1.0476% (0.74   0.02   0.02) =   0.154%
          QB    ALA   61 - HA    PHE   72   8.59 +/- 0.65   0.755% *  1.0476% (0.74   0.02   0.02) =   0.013%
          HB3   LYS+  74 - HA    PHE   72   8.24 +/- 0.53   1.093% *  0.4463% (0.31   0.02   0.02) =   0.008%
          QG    LYS+  66 - HA    PHE   72  11.11 +/- 0.61   0.147% *  0.7457% (0.52   0.02   0.18) =   0.002%
          QB    LEU   98 - HA    PHE   72   9.43 +/- 0.73   0.430% *  0.2148% (0.15   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    PHE   72  13.68 +/- 0.90   0.043% *  1.0832% (0.76   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    PHE   72  15.69 +/- 1.51   0.020% *  1.0760% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   72  14.29 +/- 0.75   0.032% *  0.6584% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   72  15.15 +/- 1.62   0.028% *  0.4867% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    PHE   72  17.09 +/- 1.96   0.016% *  0.4074% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 2 structures by 0.45 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.819, support = 5.6, residual support = 39.4:
          QD2   LEU   73 - HB2   PHE   72   4.13 +/- 0.16  95.695% * 98.9721% (0.82   5.60  39.44) =  99.993%  kept
          QD1   ILE   56 - HB2   PHE   72  11.95 +/- 1.81   0.874% *  0.3482% (0.81   0.02   0.02) =   0.003%
          QG1   VAL   43 - HB2   PHE   72   7.86 +/- 0.44   2.235% *  0.0714% (0.17   0.02   0.02) =   0.002%
          QG1   VAL   41 - HB2   PHE   72   9.56 +/- 0.98   1.009% *  0.1231% (0.28   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   PHE   72  12.21 +/- 0.69   0.155% *  0.3236% (0.75   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB2   PHE   72  16.10 +/- 1.22   0.032% *  0.1617% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.53 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.48, residual support = 38.1:
        T QB    ALA   64 - HB2   PHE   72   3.08 +/- 0.50  99.989% * 99.9825% (0.84 10.00   2.48  38.11) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  14.72 +/- 0.95   0.011% *  0.0175% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.626, support = 4.84, residual support = 30.5:
          QD2   LEU   73 - HB3   PHE   72   4.68 +/- 0.37  14.085% * 93.7285% (0.72   6.18  39.44) =  75.313%  kept
          QG2   VAL   18 - HB3   PHE   72   3.22 +/- 0.72  84.621% *  5.1105% (0.33   0.75   3.37) =  24.671%  kept
          QG1   VAL   43 - HB3   PHE   72   7.90 +/- 0.65   0.674% *  0.2202% (0.53   0.02   0.02) =   0.008%
          QG1   VAL   41 - HB3   PHE   72   9.78 +/- 0.77   0.219% *  0.2908% (0.69   0.02   0.02) =   0.004%
          QD1   ILE   56 - HB3   PHE   72  11.65 +/- 1.54   0.172% *  0.2056% (0.49   0.02   0.02) =   0.002%
          QG2   THR   46 - HB3   PHE   72   9.58 +/- 0.85   0.187% *  0.1010% (0.24   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   PHE   72  12.44 +/- 0.85   0.043% *  0.3435% (0.82   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.48, residual support = 38.1:
        T QB    ALA   64 - HB3   PHE   72   2.82 +/- 0.43  99.954% * 99.9693% (0.63 10.00   2.48  38.11) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  11.64 +/- 1.62   0.046% *  0.0307% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 0.75, residual support = 3.37:
        T HA    VAL   18 - HB2   PHE   72   2.85 +/- 0.58  98.239% * 97.7542% (0.47 10.00   0.75   3.37) =  99.996%  kept
          HA    VAL   70 - HB2   PHE   72   7.58 +/- 0.65   0.451% *  0.4513% (0.82  1.00   0.02  42.34) =   0.002%
          HA1   GLY   16 - HB2   PHE   72   7.05 +/- 1.18   1.255% *  0.1280% (0.23  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - HB2   PHE   72  13.11 +/- 1.32   0.021% *  0.2793% (0.51  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  14.93 +/- 1.44   0.013% *  0.4513% (0.82  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PHE   72  14.48 +/- 1.08   0.010% *  0.3519% (0.64  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  15.48 +/- 0.68   0.006% *  0.2793% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  20.78 +/- 0.81   0.001% *  0.2241% (0.41  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  17.88 +/- 1.20   0.003% *  0.0806% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.152, support = 1.7, residual support = 3.37:
          HA    VAL   18 - HB3   PHE   72   2.64 +/- 0.50  99.155% * 64.6687% (0.15  1.00   1.70   3.37) =  99.959%  kept
          HA1   GLY   16 - HB3   PHE   72   7.14 +/- 0.90   0.596% *  3.1595% (0.63  1.00   0.02   0.02) =   0.029%
          HA    VAL   70 - HB3   PHE   72   7.77 +/- 0.57   0.217% *  2.6390% (0.53  1.00   0.02  42.34) =   0.009%
        T HA    LYS+  33 - HB3   PHE   72  14.90 +/- 0.61   0.006% * 13.4294% (0.27 10.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB3   PHE   72  13.53 +/- 0.88   0.011% *  4.2649% (0.85  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PHE   72  15.81 +/- 0.50   0.004% *  8.6106% (0.17 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB3   PHE   72  14.67 +/- 1.36   0.011% *  2.6390% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PHE   72  20.79 +/- 1.03   0.001% *  0.5888% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.866, support = 4.64, residual support = 90.1:
      O T QD    PHE   72 - HB3   PHE   72   2.42 +/- 0.15  99.455% * 99.0530% (0.87  10.0 10.00   4.64  90.06) = 100.000%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.528% *  0.0306% (0.27   1.0  1.00   0.02  90.06) =   0.000%
        T QE    PHE   45 - HB3   PHE   72  10.42 +/- 0.73   0.017% *  0.9164% (0.80   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 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 4.48, residual support = 90.1:
      O T QD    PHE   72 - HB2   PHE   72   2.47 +/- 0.16  99.383% * 99.8767% (0.83  10.0 10.00   4.48  90.06) = 100.000%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.598% *  0.0309% (0.26   1.0  1.00   0.02  90.06) =   0.000%
          QE    PHE   45 - HB2   PHE   72  10.55 +/- 0.93   0.019% *  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 = 90.1:
      O   HN    PHE   72 - HB2   PHE   72   2.92 +/- 0.58  99.988% * 99.9402% (0.79  10.0   5.04  90.06) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  14.73 +/- 0.65   0.012% *  0.0598% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.821, support = 0.0198, residual support = 3.51:
          HB2   GLN   30 - HA    LEU   73   6.95 +/- 0.81  41.636% * 10.7462% (0.80   0.02   4.22) =  42.826%  kept
          HG3   GLN   30 - HA    LEU   73   7.34 +/- 1.07  31.575% * 13.3017% (0.99   0.02   4.22) =  40.201%  kept
          HB2   GLN   17 - HA    LEU   73   8.30 +/- 0.73  18.061% *  6.5324% (0.49   0.02   0.02) =  11.293%  kept
          QB    GLU-  15 - HA    LEU   73   9.84 +/- 0.73   6.006% *  6.5324% (0.49   0.02   0.02) =   3.755%  kept
          HB3   PRO   68 - HA    LEU   73  14.63 +/- 1.46   0.692% * 11.6413% (0.87   0.02   0.02) =   0.771%  kept
          HB    ILE  119 - HA    LEU   73  16.42 +/- 1.26   0.278% * 10.7462% (0.80   0.02   0.02) =   0.286%
          HB3   GLU-  25 - HA    LEU   73  13.90 +/- 0.59   0.707% *  4.1422% (0.31   0.02   0.02) =   0.280%
          HB3   GLU- 100 - HA    LEU   73  18.00 +/- 1.23   0.142% * 11.6413% (0.87   0.02   0.02) =   0.159%
          HB2   ARG+  54 - HA    LEU   73  18.17 +/- 2.03   0.240% *  6.5324% (0.49   0.02   0.02) =   0.150%
          HB2   PRO   93 - HA    LEU   73  14.74 +/- 1.07   0.459% *  2.9879% (0.22   0.02   0.02) =   0.131%
          HB    VAL  108 - HA    LEU   73  17.70 +/- 1.44   0.157% *  7.5980% (0.57   0.02   0.02) =   0.114%
          HB2   LYS+ 111 - HA    LEU   73  21.82 +/- 1.13   0.046% *  7.5980% (0.57   0.02   0.02) =   0.034%
    Distance limit 3.66 A violated in 19 structures by 2.30 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.57, residual support = 40.5:
      O   HN    LYS+  74 - HA    LEU   73   2.38 +/- 0.10  99.978% * 99.6525% (0.69  10.0   5.57  40.49) = 100.000%  kept
          HN    THR   46 - HA    LEU   73   9.88 +/- 0.61   0.021% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  21.36 +/- 1.26   0.000% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  21.93 +/- 2.05   0.000% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  18.08 +/- 0.73   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 = 0.779, support = 6.17, residual support = 165.8:
      O   HN    LEU   73 - HA    LEU   73   2.92 +/- 0.02  37.241% * 97.6685% (0.80  10.0   6.32 171.70) =  96.460%  kept
          HN    ILE   19 - HA    LEU   73   2.66 +/- 0.60  62.470% *  2.1361% (0.18   1.0   2.00   4.10) =   3.539%  kept
          HN    VAL   42 - HA    LEU   73   7.19 +/- 0.77   0.289% *  0.0977% (0.80   1.0   0.02   1.40) =   0.001%
          HN    LYS+ 106 - HA    LEU   73  17.05 +/- 0.45   0.001% *  0.0977% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2890 (8.97, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 6.13, residual support = 171.7:
      O   HN    LEU   73 - HB2   LEU   73   3.55 +/- 0.32  95.662% * 99.6355% (0.38  10.0   6.13 171.70) =  99.995%  kept
          HN    VAL   42 - HB2   LEU   73   6.57 +/- 1.06   4.329% *  0.0996% (0.38   1.0   0.02   1.40) =   0.005%
          HN    LYS+ 106 - HB2   LEU   73  16.79 +/- 1.25   0.009% *  0.2649% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.804, support = 1.96, residual support = 7.73:
          HA    VAL   43 - HB2   LEU   73   4.94 +/- 1.24  87.210% * 87.9389% (0.80  1.00   2.00   7.87) =  98.250%  kept
        T HA    HIS   22 - HB2   LEU   73   7.97 +/- 1.11  12.401% * 10.9844% (1.00 10.00   0.02   0.02) =   1.745%  kept
          HA    ASN   69 - HB2   LEU   73  13.66 +/- 0.47   0.389% *  1.0767% (0.98  1.00   0.02   0.02) =   0.005%
    Distance limit 3.86 A violated in 11 structures by 1.10 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.39, residual support = 40.5:
          HN    LYS+  74 - HB3   LEU   73   3.10 +/- 0.55  99.967% * 97.4737% (0.25   5.39  40.49) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  12.78 +/- 0.28   0.030% *  0.5964% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  21.65 +/- 1.34   0.002% *  1.1086% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  23.16 +/- 2.34   0.001% *  0.8213% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.784, support = 5.58, residual support = 167.9:
          HN    LEU   73 - HG    LEU   73   3.02 +/- 0.59  66.721% * 77.8897% (0.80   5.68 171.70) =  96.440%  kept
          HN    ILE   19 - HG12  ILE   19   3.81 +/- 0.63  19.617% *  5.1009% (0.06   5.21 123.86) =   1.857%  kept
          HN    VAL   42 - HG    LEU   73   4.46 +/- 0.73   6.984% * 10.2435% (0.80   0.75   1.40) =   1.328%  kept
          HN    VAL   42 - HG    LEU   40   5.41 +/- 1.04   3.380% *  5.9174% (0.15   2.31   1.23) =   0.371%
          HN    ILE   19 - HG    LEU   73   5.35 +/- 0.68   2.547% *  0.0600% (0.18   0.02   4.10) =   0.003%
          HN    LEU   73 - HG12  ILE   19   7.18 +/- 0.97   0.461% *  0.0896% (0.26   0.02   4.10) =   0.001%
          HN    VAL   42 - HG12  ILE   19   9.66 +/- 1.46   0.113% *  0.0896% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   40   9.57 +/- 1.07   0.062% *  0.0512% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.14 +/- 0.91   0.024% *  0.0512% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.62 +/- 0.86   0.003% *  0.2744% (0.80   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  11.60 +/- 0.94   0.017% *  0.0334% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.04 +/- 1.29   0.034% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  13.79 +/- 0.88   0.006% *  0.0334% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.65 +/- 1.03   0.011% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  13.09 +/- 0.87   0.008% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  21.11 +/- 1.36   0.000% *  0.0896% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  14.92 +/- 1.71   0.005% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.62 +/- 1.11   0.001% *  0.0334% (0.10   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  16.44 +/- 1.92   0.003% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  17.39 +/- 1.58   0.002% *  0.0017% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.0911, support = 1.49, residual support = 1.35:
          HN    LEU   71 - HG    LEU   40   5.41 +/- 0.82  60.875% * 48.9924% (0.05   1.78   1.66) =  81.484%  kept
          HN    LEU   71 - HG    LEU   73   6.75 +/- 0.62  18.445% * 34.8575% (0.28   0.24   0.02) =  17.566%  kept
          HN    THR   26 - HG    LEU   80   7.26 +/- 0.87  14.471% *  1.0793% (0.10   0.02   0.02) =   0.427%
          HN    THR   26 - HG    LEU   73  10.27 +/- 0.84   1.491% *  8.8694% (0.84   0.02   0.02) =   0.361%
          HN    LEU   71 - HG12  ILE   19   9.10 +/- 1.33   3.823% *  0.9642% (0.09   0.02   0.02) =   0.101%
          HN    THR   26 - HG12  ILE   19  11.77 +/- 1.05   0.746% *  2.8966% (0.27   0.02   0.02) =   0.059%
          HN    THR   26 - HG    LEU   40  18.79 +/- 1.20   0.034% *  1.6536% (0.16   0.02   0.02) =   0.002%
          HN    LEU   71 - HG    LEU   80  17.32 +/- 0.77   0.056% *  0.3593% (0.03   0.02   0.02) =   0.001%
          HN    LEU   71 - HG    LEU  115  17.93 +/- 2.08   0.053% *  0.0819% (0.01   0.02   0.02) =   0.000%
          HN    THR   26 - HG    LEU  115  25.65 +/- 1.63   0.006% *  0.2459% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 13 structures by 1.22 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.374, support = 7.79, residual support = 171.2:
          HN    LEU   73 - QD2   LEU   73   2.60 +/- 0.80  90.689% * 96.0425% (0.38   7.82 171.70) =  99.706%  kept
          HN    VAL   42 - QD2   LEU   73   4.22 +/- 0.51   8.787% *  2.9139% (0.38   0.24   1.40) =   0.293%
          HN    LYS+ 106 - HG3   LYS+ 121   7.21 +/- 0.83   0.501% *  0.2228% (0.34   0.02   0.02) =   0.001%
          HN    LYS+ 106 - QD2   LEU   73  13.37 +/- 1.31   0.008% *  0.6533% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  13.64 +/- 1.17   0.011% *  0.0838% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  16.00 +/- 1.08   0.004% *  0.0838% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.74, residual support = 40.5:
          HN    LYS+  74 - QD2   LEU   73   3.86 +/- 0.26  99.836% * 96.7312% (0.25   5.74  40.49) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  12.43 +/- 0.93   0.100% *  0.5552% (0.41   0.02   0.02) =   0.001%
          HN    MET   11 - QD2   LEU   73  18.17 +/- 2.82   0.020% *  0.7646% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QD2   LEU   73  18.34 +/- 1.30   0.010% *  1.0321% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.67 +/- 0.79   0.026% *  0.3520% (0.26   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  20.01 +/- 1.06   0.006% *  0.1148% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  25.82 +/- 1.16   0.001% *  0.1893% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  33.44 +/- 2.89   0.000% *  0.2607% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.78, residual support = 187.0:
      O   HN    LYS+  74 - HB2   LYS+  74   2.82 +/- 0.27  99.938% * 99.3064% (0.20  10.0   5.78 187.01) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.62 +/- 0.78   0.061% *  0.1637% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  19.53 +/- 1.41   0.001% *  0.3044% (0.61   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  24.65 +/- 2.20   0.000% *  0.2255% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.42, residual support = 32.0:
          HN    VAL   75 - HB3   LYS+  74   4.06 +/- 0.20  99.503% * 98.5338% (0.41   4.42  31.96) =  99.995%  kept
          HN    ASP-  78 - HB3   LYS+  74   9.89 +/- 0.58   0.487% *  0.9413% (0.87   0.02   0.02) =   0.005%
          HN    LYS+ 112 - HB3   LYS+  74  20.20 +/- 1.39   0.008% *  0.3349% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+  74  24.92 +/- 2.02   0.002% *  0.1900% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 1 structures by 0.44 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.68, residual support = 32.0:
          HN    VAL   75 - HG2   LYS+  74   2.93 +/- 0.62  99.858% * 99.5077% (0.84   5.68  31.96) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.02 +/- 1.12   0.137% *  0.4110% (0.98   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  18.81 +/- 1.13   0.003% *  0.0374% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.85 +/- 1.61   0.002% *  0.0439% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.04 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   3.58 +/- 0.12  99.966% * 95.5857% (0.84   0.34   0.34) =  99.998%  kept
          QD1   LEU  115 - HA    THR   77  14.23 +/- 1.46   0.034% *  4.4143% (0.65   0.02   0.02) =   0.002%
    Distance limit 3.43 A violated in 0 structures by 0.16 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 = 38.9:
      O   HN    ASP-  78 - HB3   ASP-  78   3.01 +/- 0.62  99.931% * 99.9053% (0.95  10.0   3.95  38.91) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.46 +/- 0.74   0.069% *  0.0947% (0.90   1.0   0.02   0.10) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.11, residual support = 38.9:
      O   HN    ASP-  78 - HB2   ASP-  78   2.53 +/- 0.38  99.963% * 99.9053% (0.95  10.0   5.11  38.91) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78   9.75 +/- 0.37   0.037% *  0.0947% (0.90   1.0   0.02   0.10) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 54.9:
      O T HB3   GLU-  79 - HA    GLU-  79   2.77 +/- 0.20  99.972% * 99.1581% (1.00  10.0 10.00   4.26  54.87) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  11.95 +/- 1.48   0.023% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  17.05 +/- 0.71   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  16.19 +/- 0.75   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  23.14 +/- 0.72   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  27.51 +/- 0.98   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.56, residual support = 54.9:
      O   QG    GLU-  79 - HB3   GLU-  79   2.35 +/- 0.14  99.990% * 99.5936% (0.98  10.0   3.56  54.87) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  12.46 +/- 1.45   0.006% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  18.09 +/- 1.30   0.001% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  15.49 +/- 1.30   0.002% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  21.05 +/- 0.96   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  19.68 +/- 0.99   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  19.95 +/- 0.64   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  26.41 +/- 1.28   0.000% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  22.52 +/- 1.81   0.000% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  26.58 +/- 1.63   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  23.78 +/- 1.31   0.000% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  28.04 +/- 0.87   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 = 0.964, support = 2.35, residual support = 5.62:
          HB2   ASP-  76 - HB3   GLU-  79   3.42 +/- 0.71  90.311% * 37.3547% (1.00  1.00   2.02   3.81) =  85.607%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.26 +/- 0.69   9.328% * 60.7969% (0.76  1.00   4.30  16.38) =  14.391%  kept
        T HB2   ASN   28 - HB3   GLU-  79  13.41 +/- 0.82   0.047% *  0.6482% (0.18 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HB2   GLN   90  10.74 +/- 1.80   0.213% *  0.1051% (0.28  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HB2   GLN   90  12.23 +/- 1.60   0.084% *  0.1372% (0.37  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  17.45 +/- 1.48   0.010% *  0.0923% (0.25  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  20.56 +/- 0.88   0.003% *  0.2409% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.45 +/- 0.79   0.001% *  0.3572% (0.97  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  24.90 +/- 1.02   0.001% *  0.0733% (0.20  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  24.47 +/- 1.11   0.001% *  0.0343% (0.09  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  30.56 +/- 1.08   0.000% *  0.1327% (0.36  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  25.76 +/- 1.82   0.001% *  0.0272% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 54.9:
      O T HA    GLU-  79 - HB3   GLU-  79   2.77 +/- 0.20  90.500% * 98.8585% (0.80  10.0 10.00   4.26  54.87) =  99.998%  kept
          HB    THR   77 - HB2   GLN   90   5.25 +/- 1.73   8.676% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLN   90   6.96 +/- 0.75   0.573% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   8.09 +/- 0.53   0.188% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  11.95 +/- 1.48   0.019% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  14.01 +/- 2.44   0.009% *  0.0434% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.14 +/- 0.50   0.009% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.04 +/- 0.72   0.011% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.88 +/- 1.38   0.002% *  0.1210% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.50 +/- 1.35   0.002% *  0.1168% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  17.12 +/- 2.03   0.002% *  0.0450% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.39 +/- 0.83   0.008% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.02 +/- 0.82   0.000% *  0.1071% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  21.89 +/- 1.61   0.000% *  0.0508% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  20.34 +/- 1.49   0.001% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  28.11 +/- 0.65   0.000% *  0.0398% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  27.99 +/- 1.29   0.000% *  0.0343% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  24.04 +/- 1.61   0.000% *  0.0128% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  29.67 +/- 2.41   0.000% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.98 +/- 2.45   0.000% *  0.0102% (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 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.97, residual support = 90.0:
      O T HA    GLN   90 - HB2   GLN   90   2.61 +/- 0.24  95.894% * 96.0605% (0.27  10.0 10.00   3.97  90.02) =  99.996%  kept
          HA    ALA   91 - HB2   GLN   90   4.74 +/- 0.45   4.030% *  0.0644% (0.18   1.0  1.00   0.02  32.06) =   0.003%
        T HA    GLN   90 - HB3   GLU-  79  10.95 +/- 1.28   0.026% *  2.5853% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HB3   GLU-  79  10.45 +/- 0.94   0.032% *  0.0990% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  13.77 +/- 1.97   0.008% *  0.1105% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   GLU-  79  14.23 +/- 1.28   0.005% *  0.1733% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  15.49 +/- 1.18   0.003% *  0.0856% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.65 +/- 2.08   0.000% *  0.2974% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.11 +/- 2.40   0.001% *  0.1873% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.30 +/- 0.98   0.000% *  0.2303% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  18.11 +/- 1.16   0.001% *  0.0696% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  18.13 +/- 1.12   0.001% *  0.0368% (0.10   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 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.95, support = 2.32, residual support = 6.37:
          HB2   ASP-  76 - HB2   GLU-  79   3.04 +/- 0.67  86.804% * 37.0099% (1.00   1.87   3.81) =  79.640%  kept
          HB2   ASP-  78 - HB2   GLU-  79   4.88 +/- 0.87  13.170% * 62.3596% (0.76   4.11  16.38) =  20.360%  kept
          HB2   ASN   28 - HB2   GLU-  79  13.71 +/- 0.95   0.021% *  0.0696% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  17.56 +/- 1.40   0.005% *  0.0990% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  26.38 +/- 0.74   0.000% *  0.3833% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  24.62 +/- 1.08   0.000% *  0.0786% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 5.38, residual support = 48.5:
          HN    LEU   80 - HB2   GLU-  79   2.63 +/- 0.76  99.944% * 98.5164% (0.61   5.38  48.53) = 100.000%  kept
          HN    SER   85 - HB2   GLU-  79  10.57 +/- 0.72   0.045% *  0.2941% (0.49   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLU-  79  15.36 +/- 0.99   0.007% *  0.2268% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  17.48 +/- 0.93   0.002% *  0.5241% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  19.29 +/- 0.97   0.001% *  0.4387% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.51, residual support = 48.5:
          HN    LEU   80 - HB3   GLU-  79   2.50 +/- 0.63  99.654% * 97.8949% (0.61   5.51  48.53) = 100.000%  kept
          HN    SER   85 - HB2   GLN   90   7.69 +/- 0.97   0.247% *  0.1060% (0.18   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.64 +/- 0.52   0.029% *  0.2852% (0.49   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  11.51 +/- 1.50   0.037% *  0.1320% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  12.16 +/- 1.74   0.026% *  0.0817% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  15.86 +/- 1.07   0.005% *  0.2199% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.28 +/- 0.87   0.002% *  0.5082% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  19.18 +/- 0.88   0.001% *  0.4254% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  23.61 +/- 0.85   0.000% *  0.1888% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  25.08 +/- 0.77   0.000% *  0.1581% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.59, residual support = 90.0:
      O   HN    GLN   90 - HB2   GLN   90   3.94 +/- 0.10  97.347% * 98.6230% (0.23  10.0   5.59  90.02) =  99.998%  kept
          HE1   HIS   22 - HB3   GLU-  79   7.68 +/- 0.78   2.177% *  0.0675% (0.15   1.0   0.02   0.02) =   0.002%
          HN    GLY  109 - HB2   GLN   90  11.13 +/- 1.50   0.307% *  0.1458% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HB3   GLU-  79  12.32 +/- 1.20   0.137% *  0.2654% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  19.18 +/- 1.30   0.008% *  0.3925% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  23.03 +/- 1.64   0.003% *  0.3504% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  21.19 +/- 1.60   0.005% *  0.1302% (0.30   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  17.59 +/- 1.96   0.017% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.1, residual support = 48.5:
          HN    LEU   80 - QG    GLU-  79   3.38 +/- 0.58  99.808% * 98.4375% (0.61   5.10  48.53) =  99.999%  kept
          HN    SER   85 - QG    GLU-  79  10.39 +/- 0.46   0.150% *  0.3097% (0.49   0.02   0.02) =   0.000%
          HN    GLN   32 - QG    GLU-  79  15.74 +/- 0.81   0.014% *  0.5519% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  15.22 +/- 1.34   0.022% *  0.2388% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  17.55 +/- 0.72   0.007% *  0.4620% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.46, residual support = 48.5:
      O   HN    LEU   80 - HA    GLU-  79   3.42 +/- 0.30  99.841% * 99.2120% (0.28  10.0   5.46  48.53) = 100.000%  kept
          HN    SER   85 - HA    GLU-  79  10.14 +/- 0.36   0.154% *  0.2980% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    GLU-  79  19.19 +/- 0.52   0.003% *  0.3560% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  21.36 +/- 0.61   0.002% *  0.1339% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.617, support = 4.24, residual support = 80.0:
      O   HB2   LEU   80 - QD2   LEU   80   2.53 +/- 0.41  30.172% * 71.2691% (0.87  10.0  1.00   3.94  79.95) =  52.390%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.10 +/- 0.01  69.726% * 28.0259% (0.34  10.0  1.00   4.57  79.95) =  47.610%  kept
        T HB3   LEU   73 - QD2   LEU   80   7.17 +/- 0.94   0.058% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   80   7.85 +/- 1.06   0.032% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  11.89 +/- 1.22   0.003% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  11.36 +/- 1.29   0.003% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  12.09 +/- 1.06   0.002% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  13.38 +/- 1.71   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  13.08 +/- 0.98   0.001% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  14.59 +/- 0.87   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  17.63 +/- 2.03   0.000% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  20.51 +/- 1.37   0.000% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  18.09 +/- 1.01   0.000% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  18.20 +/- 1.38   0.000% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  21.50 +/- 1.21   0.000% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.934, support = 4.68, residual support = 39.4:
          HA    THR   23 - QD2   LEU   80   2.80 +/- 0.71  62.806% * 34.4947% (0.99   3.62   7.56) =  54.980%  kept
          HA    LEU   80 - QD2   LEU   80   3.13 +/- 0.87  34.118% * 50.7322% (0.87   6.08  79.95) =  43.926%  kept
          HB    THR   23 - QD2   LEU   80   4.62 +/- 0.69   2.966% * 14.5329% (0.73   2.08   7.56) =   1.094%  kept
          HA    ASP-  78 - QD2   LEU   80   7.81 +/- 0.63   0.110% *  0.1540% (0.80   0.02   2.80) =   0.000%
          HA    ASP- 105 - QD2   LEU   80  17.49 +/- 1.02   0.001% *  0.0862% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.508, support = 3.25, residual support = 12.1:
          HN    THR   23 - QD2   LEU   80   3.24 +/- 0.94  73.252% * 21.0071% (0.41   2.82   7.56) =  59.648%  kept
          HE3   TRP   27 - QD2   LEU   80   5.83 +/- 1.72  12.286% * 42.6169% (0.92   2.55   6.41) =  20.296%  kept
          HN    LYS+  81 - QD2   LEU   80   4.92 +/- 0.77  14.433% * 35.8496% (0.38   5.27  31.45) =  20.056%  kept
          QE    PHE   95 - QD2   LEU   80  11.79 +/- 0.97   0.024% *  0.1626% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   80  17.16 +/- 1.50   0.003% *  0.3147% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  18.05 +/- 0.79   0.002% *  0.0491% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.0, residual support = 9.65:
          HN    VAL   24 - QD2   LEU   80   2.64 +/- 0.56  99.942% * 99.5214% (0.31   3.00   9.65) = 100.000%  kept
          HN    VAL   43 - QD2   LEU   80  10.37 +/- 1.08   0.058% *  0.4786% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.262, support = 3.69, residual support = 21.3:
          HN    LYS+  81 - QD1   LEU   80   4.46 +/- 0.65  28.982% * 64.0428% (0.24   5.30  31.45) =  57.495%  kept
          HN    THR   23 - QD1   LEU   80   3.70 +/- 0.58  60.973% * 20.9235% (0.27   1.58   7.56) =  39.519%  kept
          HE3   TRP   27 - QD1   LEU   80   6.57 +/- 1.49   7.390% * 12.9332% (0.60   0.44   6.41) =   2.961%  kept
          HE3   TRP   27 - QD2   LEU   98   6.94 +/- 1.27   2.153% *  0.3406% (0.34   0.02   0.02) =   0.023%
          QE    PHE   95 - QD2   LEU   98   9.66 +/- 1.48   0.291% *  0.1654% (0.17   0.02   0.02) =   0.001%
          QE    PHE   95 - QD1   LEU   80  11.53 +/- 1.32   0.076% *  0.2886% (0.29   0.02   0.02) =   0.001%
          HN    THR   23 - QD2   LEU   98  12.34 +/- 1.21   0.045% *  0.1517% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  16.59 +/- 1.58   0.010% *  0.5584% (0.56   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  13.01 +/- 1.40   0.053% *  0.0499% (0.05   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  16.55 +/- 1.27   0.007% *  0.3201% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  14.59 +/- 1.15   0.015% *  0.1385% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  18.13 +/- 1.29   0.004% *  0.0871% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 4.91, residual support = 101.7:
          HN    LYS+  81 - QG    LYS+  81   2.16 +/- 0.20  99.965% * 98.5521% (0.87   4.91 101.65) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.49 +/- 1.72   0.021% *  0.0993% (0.21   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  12.57 +/- 1.38   0.006% *  0.2075% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  14.63 +/- 0.67   0.001% *  0.2434% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  13.20 +/- 0.98   0.003% *  0.0536% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  15.47 +/- 1.52   0.001% *  0.1166% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  17.90 +/- 1.33   0.000% *  0.1737% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.97 +/- 0.86   0.001% *  0.0456% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  20.96 +/- 0.97   0.000% *  0.1922% (0.42   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.64 +/- 1.24   0.001% *  0.0382% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  20.00 +/- 1.38   0.000% *  0.0883% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  17.89 +/- 1.82   0.000% *  0.0300% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.95 +/- 1.46   0.000% *  0.0138% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  24.04 +/- 0.62   0.000% *  0.0626% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.98 +/- 1.90   0.000% *  0.0831% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.748, residual support = 1.5:
          HN    GLU-  79 - QG    LYS+  81   3.87 +/- 0.16  99.425% * 93.8948% (0.65   0.75   1.50) =  99.997%  kept
          HN    VAL   70 - HG2   LYS+  33  11.43 +/- 1.70   0.229% *  0.7634% (0.20   0.02   0.02) =   0.002%
          HN    THR   94 - QG    LYS+  81  12.71 +/- 0.98   0.087% *  0.9671% (0.25   0.02   0.02) =   0.001%
          HN    THR   94 - HG2   LYS+ 106  10.68 +/- 0.43   0.233% *  0.2128% (0.05   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG2   LYS+  33  20.64 +/- 0.87   0.005% *  1.2013% (0.31   0.02   0.02) =   0.000%
          HN    VAL   70 - HG2   LYS+ 106  18.21 +/- 0.82   0.010% *  0.3508% (0.09   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  20.05 +/- 1.11   0.005% *  0.5521% (0.14   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.88 +/- 0.44   0.002% *  1.5945% (0.41   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.94 +/- 1.27   0.004% *  0.4630% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 101.7:
      O   HN    LYS+  81 - QB    LYS+  81   2.47 +/- 0.12  99.323% * 99.1682% (0.38  10.0   5.21 101.65) = 100.000%  kept
          QD    PHE   55 - HB3   PRO   52   6.05 +/- 0.57   0.615% *  0.0263% (0.10   1.0   0.02   0.33) =   0.000%
          HN    THR   23 - QB    LYS+  81  10.69 +/- 0.43   0.017% *  0.1086% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  12.99 +/- 1.35   0.006% *  0.2439% (0.92   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52   9.85 +/- 1.26   0.036% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  15.10 +/- 0.80   0.002% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  18.80 +/- 1.07   0.001% *  0.2292% (0.87   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  21.68 +/- 1.20   0.000% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  19.23 +/- 1.17   0.000% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  25.04 +/- 0.56   0.000% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  21.89 +/- 1.02   0.000% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  22.72 +/- 1.29   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 = 101.7:
      O   HN    LYS+  81 - HA    LYS+  81   2.79 +/- 0.05  99.976% * 99.8291% (0.87  10.0   5.29 101.65) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  12.61 +/- 1.50   0.019% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  15.41 +/- 0.65   0.004% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  19.27 +/- 1.11   0.001% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  25.71 +/- 0.67   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.787, support = 2.41, residual support = 10.6:
          HA    ASP-  78 - QG    LYS+  81   3.38 +/- 0.54  76.451% * 37.8660% (0.98   1.20   0.80) =  68.010%  kept
          HA    LEU   80 - QG    LYS+  81   4.29 +/- 0.29  22.597% * 60.2441% (0.38   4.98  31.45) =  31.982%  kept
          HA    THR   23 - QG    LYS+  81   8.22 +/- 0.70   0.578% *  0.4927% (0.76   0.02   0.02) =   0.007%
          HB    THR   23 - QG    LYS+  81  10.32 +/- 0.83   0.139% *  0.1608% (0.25   0.02   0.02) =   0.001%
          HA    PHE   45 - QG    LYS+  81   9.71 +/- 0.67   0.164% *  0.0995% (0.15   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+  33  15.31 +/- 0.86   0.012% *  0.2359% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  14.27 +/- 1.26   0.022% *  0.0770% (0.12   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  18.61 +/- 1.06   0.004% *  0.1159% (0.18   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  13.60 +/- 0.87   0.021% *  0.0219% (0.03   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  17.38 +/- 1.02   0.005% *  0.0476% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  23.96 +/- 0.84   0.001% *  0.3026% (0.47   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  21.15 +/- 1.29   0.001% *  0.1390% (0.22   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  21.44 +/- 1.05   0.001% *  0.1084% (0.17   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  19.51 +/- 1.41   0.003% *  0.0532% (0.08   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  22.92 +/- 0.97   0.001% *  0.0354% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.42, residual support = 33.4:
      O   HN    SER   82 - HB3   SER   82   3.09 +/- 0.12  99.999% * 99.5254% (0.41  10.0   3.42  33.40) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  25.08 +/- 1.27   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  27.79 +/- 0.98   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.371, support = 3.35, residual support = 15.3:
      O   HN    TRP   49 - HA    SER   48   3.54 +/- 0.07  33.045% * 85.5451% (0.40  10.0   3.25  14.64) =  82.565%  kept
          HN    VAL   83 - HB2   SER   82   3.28 +/- 0.13  52.511% * 10.4225% (0.24   1.0   4.10  19.99) =  15.985%  kept
          HN    CYS   50 - HA    SER   48   4.25 +/- 0.58  14.363% *  3.4564% (0.36   1.0   0.90   0.02) =   1.450%  kept
          HE22  GLN   30 - HA    VAL   70  10.80 +/- 1.58   0.059% *  0.0241% (0.11   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  15.37 +/- 1.68   0.006% *  0.0695% (0.32   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  17.19 +/- 0.86   0.003% *  0.1558% (0.72   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  18.32 +/- 0.75   0.002% *  0.1400% (0.65   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  14.71 +/- 1.65   0.009% *  0.0279% (0.13   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  19.12 +/- 1.39   0.002% *  0.0382% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  25.24 +/- 0.68   0.000% *  0.0486% (0.23   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  21.73 +/- 0.51   0.001% *  0.0177% (0.08   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  26.27 +/- 0.59   0.000% *  0.0541% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 4.03, residual support = 33.4:
      O   HN    SER   82 - HB2   SER   82   2.07 +/- 0.07  99.920% * 99.0159% (0.39  10.0   4.03  33.40) = 100.000%  kept
          HN    GLY   16 - HA    VAL   70   7.52 +/- 1.32   0.078% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    SER   48  14.34 +/- 1.74   0.001% *  0.0544% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  18.21 +/- 1.45   0.000% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  22.87 +/- 1.94   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  23.17 +/- 0.90   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  25.73 +/- 1.19   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  28.66 +/- 1.02   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  24.11 +/- 0.48   0.000% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.437, support = 5.34, residual support = 43.7:
          HN    ALA   84 - HB    VAL   83   3.33 +/- 0.35  99.985% * 98.8151% (0.44   5.34  43.73) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  17.56 +/- 1.63   0.009% *  0.6818% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  19.79 +/- 1.54   0.003% *  0.3700% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  19.51 +/- 1.25   0.003% *  0.1331% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.19 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   2.44 +/- 0.63  99.993% * 99.8243% (0.65  10.0   4.77  87.47) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  15.98 +/- 0.70   0.003% *  0.1375% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  15.42 +/- 0.79   0.003% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.94, support = 0.0199, residual support = 0.0199:
          HZ2   TRP   87 - HA    ALA   84   7.81 +/- 0.70  77.174% * 31.7530% (0.96   0.02   0.02) =  80.447%  kept
          HD21  ASN   28 - HA    ALA   84  10.35 +/- 0.80  15.818% * 30.7120% (0.93   0.02   0.02) =  15.948%  kept
          QE    PHE   60 - HA    ALA   84  12.57 +/- 1.30   5.925% * 16.7431% (0.51   0.02   0.02) =   3.256%  kept
          HN    ILE   56 - HA    ALA   84  17.08 +/- 1.11   0.750% *  8.8482% (0.27   0.02   0.02) =   0.218%
          HN    LEU   63 - HA    ALA   84  19.78 +/- 0.87   0.334% * 11.9438% (0.36   0.02   0.02) =   0.131%
    Distance limit 3.45 A violated in 20 structures by 4.03 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.535, residual support = 0.849:
          QE    PHE   45 - HA    ALA   84   3.56 +/- 0.84  99.964% * 94.1957% (0.81   0.53   0.85) =  99.999%  kept
          QD    PHE   72 - HA    ALA   84  15.51 +/- 0.63   0.029% *  4.0704% (0.93   0.02   0.02) =   0.001%
          HZ    PHE   72 - HA    ALA   84  19.68 +/- 1.09   0.008% *  1.7340% (0.40   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.29, residual support = 10.6:
          HB    ILE   89 - HA    ALA   84   2.43 +/- 0.40  99.996% * 98.3701% (0.91   1.29  10.56) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  14.68 +/- 1.05   0.003% *  0.7203% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  19.83 +/- 1.32   0.000% *  0.9096% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.722, support = 3.31, residual support = 35.1:
          QG2   VAL   83 - HA    ALA   84   3.26 +/- 0.45  73.690% * 50.2430% (0.66   3.56  43.73) =  73.961%  kept
          QD1   ILE   89 - HA    ALA   84   3.97 +/- 0.37  26.251% * 49.6544% (0.89   2.62  10.56) =  26.039%  kept
          QD2   LEU   31 - HA    ALA   84  10.87 +/- 0.74   0.059% *  0.1026% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 2.7, residual support = 10.6:
          HG13  ILE   89 - HA    ALA   84   4.19 +/- 1.36 100.000% *100.0000% (0.55   2.70  10.56) = 100.000%  kept
    Distance limit 3.77 A violated in 11 structures by 0.90 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.715, support = 3.75, residual support = 36.1:
          QG2   VAL   83 - QB    ALA   84   3.67 +/- 0.50  78.483% * 47.3279% (0.66  1.00   3.91  43.73) =  77.068%  kept
          QD1   ILE   89 - QB    ALA   84   4.73 +/- 0.43  21.337% * 51.7944% (0.89  1.00   3.19  10.56) =  22.929%  kept
        T QD2   LEU   31 - QB    ALA   84  10.32 +/- 0.65   0.180% *  0.8777% (0.24 10.00   0.02   0.02) =   0.003%
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.24, residual support = 10.6:
          HG13  ILE   89 - QB    ALA   84   4.91 +/- 0.92 100.000% *100.0000% (0.55   3.24  10.56) = 100.000%  kept
    Distance limit 3.70 A violated in 12 structures by 1.21 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.866, support = 0.314, residual support = 0.849:
          QD    PHE   45 - QB    ALA   84   4.05 +/- 0.70  99.981% * 97.7148% (0.87   0.31   0.85) = 100.000%  kept
          HD2   HIS  122 - QB    ALA   84  18.66 +/- 1.32   0.012% *  1.2148% (0.17   0.02   0.02) =   0.000%
          HE22  GLN  116 - QB    ALA   84  21.87 +/- 1.27   0.007% *  1.0703% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 1 structures by 0.38 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 = 0.666, support = 0.0199, residual support = 0.0199:
          HN    TRP   49 - QB    ALA   84   9.85 +/- 0.91  82.892% * 28.9138% (0.59   0.02   0.02) =  75.571%  kept
          HE22  GLN   30 - QB    ALA   84  13.34 +/- 1.37  16.520% * 46.0056% (0.93   0.02   0.02) =  23.964%  kept
          HD22  ASN   69 - QB    ALA   84  22.65 +/- 0.78   0.588% * 25.0806% (0.51   0.02   0.02) =   0.465%
    Distance limit 4.13 A violated in 20 structures by 5.40 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   2.17 +/- 0.05  99.984% * 99.7822% (0.99  10.0   3.15  18.15) = 100.000%  kept
          HN    SER   85 - QB    SER   48  12.92 +/- 2.06   0.004% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  13.02 +/- 0.68   0.002% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  17.19 +/- 0.66   0.000% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.41 +/- 0.69   0.005% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.44 +/- 1.36   0.004% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  19.51 +/- 0.57   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  22.59 +/- 0.92   0.000% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  21.97 +/- 0.96   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  24.01 +/- 0.86   0.000% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.49 +/- 0.82   0.000% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.21 +/- 0.82   0.000% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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   2.96 +/- 0.06  99.898% * 97.6197% (0.87   3.33  13.43) = 100.000%  kept
          HN    GLU-  29 - QB    SER   85  15.01 +/- 0.63   0.006% *  0.6619% (0.98   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  15.80 +/- 0.61   0.004% *  0.5407% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER   48  14.59 +/- 1.94   0.011% *  0.1428% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.57 +/- 1.55   0.069% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  19.66 +/- 0.91   0.001% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  19.49 +/- 0.87   0.001% *  0.1318% (0.20   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  17.04 +/- 1.48   0.004% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  21.32 +/- 0.93   0.001% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  22.97 +/- 2.11   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  22.40 +/- 0.60   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  23.56 +/- 0.71   0.000% *  0.0834% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  25.40 +/- 0.71   0.000% *  0.1021% (0.15   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  18.76 +/- 0.78   0.002% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  28.17 +/- 1.33   0.000% *  0.1503% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  22.79 +/- 1.91   0.001% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  25.30 +/- 1.69   0.000% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  25.80 +/- 1.33   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 15.0:
      O   HN    SER  117 - QB    SER  117   2.15 +/- 0.08 100.000% * 98.5738% (0.12  10.0   2.79  15.01) = 100.000%  kept
          HN    SER  117 - QB    SER   85  23.29 +/- 0.87   0.000% *  0.6389% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  24.96 +/- 0.80   0.000% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  21.75 +/- 1.75   0.000% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  20.22 +/- 1.00   0.000% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  22.13 +/- 1.17   0.000% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.82 +/- 0.03  99.985% * 99.8725% (0.99  10.0   3.65  18.15) = 100.000%  kept
          HN    THR   94 - HA    SER   85  12.63 +/- 0.80   0.013% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  19.69 +/- 0.59   0.001% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  21.85 +/- 0.46   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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   2.88 +/- 0.62  99.941% * 99.6620% (0.95  10.0   3.56  41.61) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  13.17 +/- 0.65   0.021% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  12.66 +/- 0.69   0.025% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  15.57 +/- 1.76   0.012% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  21.55 +/- 2.62   0.002% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  27.46 +/- 1.62   0.000% *  0.0724% (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 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   2.51 +/- 0.24  99.984% * 99.2641% (0.49  10.0   4.99  41.61) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  13.02 +/- 0.56   0.006% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  15.37 +/- 1.22   0.003% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  12.68 +/- 0.63   0.007% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  20.78 +/- 2.34   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  26.92 +/- 1.60   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.404, support = 3.6, residual support = 22.5:
          HD1   TRP   87 - HB2   ASP-  86   3.26 +/- 0.29  91.839% * 37.5305% (0.38   3.60  22.48) =  87.612%  kept
          HE3   TRP   87 - HB2   ASP-  86   5.21 +/- 0.50   8.030% * 60.6836% (0.61   3.61  22.48) =  12.386%  kept
          HN    TRP   27 - HB2   ASP-  86  11.14 +/- 0.56   0.064% *  0.5354% (0.97   0.02   0.02) =   0.001%
          HN    ALA   91 - HB2   ASP-  86  11.14 +/- 0.53   0.063% *  0.5248% (0.95   0.02   0.02) =   0.001%
          HN    ALA   61 - HB2   ASP-  86  20.71 +/- 0.71   0.002% *  0.4976% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  20.00 +/- 0.59   0.002% *  0.2281% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.04 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   2.54 +/- 0.56  99.351% * 98.2344% (0.22 10.00   2.25  10.83) =  99.999%  kept
          HB3   SER   82 - HB2   ASP-  86   6.06 +/- 0.57   0.639% *  0.1814% (0.41  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HB2   ASP-  86  15.39 +/- 0.60   0.004% *  0.4258% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   ASP-  86  18.08 +/- 0.89   0.002% *  0.3957% (0.90  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  20.53 +/- 1.59   0.001% *  0.4073% (0.92  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  17.57 +/- 1.27   0.002% *  0.0873% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  19.08 +/- 0.59   0.001% *  0.0681% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  23.06 +/- 1.43   0.000% *  0.1227% (0.28  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  26.46 +/- 1.51   0.000% *  0.0773% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 +/- 0.01  99.990% * 99.2641% (0.49  10.0   4.05  41.61) = 100.000%  kept
          HN    LYS+  99 - HA    ASP-  86  16.92 +/- 1.27   0.002% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    ASP-  86  15.44 +/- 0.66   0.003% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  14.82 +/- 0.75   0.004% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  23.06 +/- 2.44   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  29.78 +/- 1.62   0.000% *  0.2039% (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 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.5, residual support = 70.3:
          HE3   TRP   87 - HA    TRP   87   3.13 +/- 0.14  99.864% * 98.5578% (0.99   3.50  70.26) =  99.999%  kept
          HN    ALA   91 - HA    TRP   87   9.72 +/- 0.57   0.125% *  0.4927% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    TRP   87  14.85 +/- 0.53   0.009% *  0.2988% (0.53   0.02   6.22) =   0.000%
          HN    ALA   61 - HA    TRP   87  20.60 +/- 0.86   0.001% *  0.5243% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  23.94 +/- 0.60   0.001% *  0.1264% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.19, residual support = 70.3:
      O   HE3   TRP   87 - HB2   TRP   87   2.51 +/- 0.06  99.952% * 99.7445% (0.99  10.0   3.19  70.26) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   9.20 +/- 0.54   0.044% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  14.10 +/- 0.59   0.003% *  0.0529% (0.53   1.0   0.02   6.22) =   0.000%
          HN    ALA   61 - HB2   TRP   87  18.46 +/- 0.87   0.001% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  21.96 +/- 0.58   0.000% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 70.3:
      O   HE3   TRP   87 - HB3   TRP   87   4.05 +/- 0.03  97.823% * 99.7445% (0.99  10.0   3.19  70.26) =  99.998%  kept
          HN    ALA   91 - HB3   TRP   87   7.79 +/- 0.48   2.088% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HB3   TRP   87  13.62 +/- 0.59   0.070% *  0.0529% (0.53   1.0   0.02   6.22) =   0.000%
          HN    ALA   61 - HB3   TRP   87  17.89 +/- 0.85   0.014% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB3   TRP   87  21.76 +/- 0.51   0.004% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 1 structures by 0.86 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.899, support = 2.02, residual support = 17.5:
          QD1   ILE   89 - HB2   TRP   87   3.05 +/- 0.19  97.555% * 57.7614% (0.90   2.03  17.49) =  98.282%  kept
          QG2   VAL   83 - HB2   TRP   87   5.90 +/- 0.68   2.357% * 41.7783% (1.00   1.32  15.47) =   1.718%  kept
          QD2   LEU   31 - HB2   TRP   87   9.91 +/- 0.37   0.088% *  0.4603% (0.73   0.02   2.05) =   0.001%
    Distance limit 3.75 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 = 3.61, residual support = 17.5:
        T QD1   ILE   89 - HB3   TRP   87   2.10 +/- 0.19  99.110% * 99.8495% (0.45 10.00   3.61  17.49) = 100.000%  kept
          QG2   VAL   83 - HB3   TRP   87   5.05 +/- 0.74   0.798% *  0.0496% (0.22  1.00   0.02  15.47) =   0.000%
          QG2   VAL   75 - HB3   TRP   87   6.96 +/- 0.70   0.089% *  0.0619% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  11.47 +/- 0.69   0.004% *  0.0390% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 17.5:
          HG12  ILE   89 - HB3   TRP   87   2.75 +/- 0.79  99.621% * 54.8868% (0.22   0.75  17.49) =  99.964%  kept
          QB    ALA   91 - HB3   TRP   87   8.49 +/- 0.82   0.275% *  5.7027% (0.87   0.02   0.02) =   0.029%
          HG2   LYS+  74 - HB3   TRP   87  12.95 +/- 0.93   0.028% *  5.8960% (0.90   0.02   0.02) =   0.003%
          QG2   ILE   56 - HB3   TRP   87  12.86 +/- 2.36   0.039% *  2.7027% (0.41   0.02   0.02) =   0.002%
          QG2   THR   39 - HB3   TRP   87  16.97 +/- 0.75   0.005% *  5.7027% (0.87   0.02   0.02) =   0.001%
          QB    ALA   34 - HB3   TRP   87  13.74 +/- 0.28   0.016% *  1.6393% (0.25   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  17.65 +/- 0.83   0.004% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  18.47 +/- 0.94   0.003% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  19.39 +/- 0.96   0.002% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  16.29 +/- 1.54   0.006% *  1.1513% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  22.70 +/- 1.04   0.001% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 11.5:
      O   HN    ALA   88 - HA    ALA   88   2.23 +/- 0.02  99.999% * 99.0353% (0.38  10.0   1.63  11.52) = 100.000%  kept
          HN    LEU   31 - HA    ALA   88  18.60 +/- 0.48   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  19.65 +/- 1.13   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  18.83 +/- 1.14   0.000% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  23.59 +/- 0.90   0.000% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 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  99.987% * 99.1754% (0.38  10.0   1.91  11.52) = 100.000%  kept
          HN    PHE   55 - QB    ALA   88  16.28 +/- 1.18   0.004% *  0.2397% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   88  16.16 +/- 0.37   0.003% *  0.2397% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  15.86 +/- 1.12   0.004% *  0.1239% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  19.53 +/- 0.85   0.001% *  0.2213% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 215.7:
          QD1   ILE   89 - HA    ILE   89   3.21 +/- 0.54  98.184% * 99.6619% (0.92   5.98 215.68) =  99.995%  kept
          QG2   VAL   83 - HA    ILE   89   6.79 +/- 0.75   1.787% *  0.2481% (0.69   0.02   0.02) =   0.005%
          QD2   LEU   31 - HA    ILE   89  13.08 +/- 0.36   0.029% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.4, residual support = 40.8:
      O   HN    GLN   90 - HA    ILE   89   2.49 +/- 0.26  99.812% * 99.8365% (0.99  10.0   6.40  40.77) = 100.000%  kept
          HN    GLY  109 - HA    ILE   89   8.00 +/- 1.08   0.170% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ILE   89  11.07 +/- 0.28   0.016% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  16.09 +/- 1.66   0.002% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.02, residual support = 215.7:
      O   HN    ILE   89 - HA    ILE   89   2.71 +/- 0.12  99.995% * 99.6601% (0.76  10.0   6.02 215.68) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  15.74 +/- 0.79   0.003% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  17.48 +/- 0.85   0.002% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  25.27 +/- 0.38   0.000% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  21.70 +/- 0.46   0.000% *  0.0258% (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 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.938, support = 2.47, residual support = 7.93:
          HN    ALA   91 - HA    ILE   89   3.55 +/- 0.37  92.649% * 82.2700% (0.95   2.49   7.80) =  98.644%  kept
          HD1   TRP   87 - HA    ILE   89   5.67 +/- 0.30   6.647% * 15.7176% (0.38   1.20  17.49) =   1.352%  kept
          HE3   TRP   87 - HA    ILE   89   8.22 +/- 0.26   0.684% *  0.4239% (0.61   0.02  17.49) =   0.004%
          HN    TRP   27 - HA    ILE   89  16.02 +/- 0.58   0.012% *  0.6745% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  17.43 +/- 1.04   0.007% *  0.6268% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  23.82 +/- 0.44   0.001% *  0.2873% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 5.31, residual support = 215.7:
      O T QD1   ILE   89 - HB    ILE   89   2.46 +/- 0.49  91.683% * 99.6065% (0.74  10.0 10.00   5.31 215.68) =  99.990%  kept
        T QD1   ILE   89 - HB    VAL   43   5.03 +/- 0.71   2.100% *  0.2175% (0.16   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL   83 - HB    ILE   89   4.47 +/- 0.69   4.851% *  0.0741% (0.55   1.0  1.00   0.02   0.02) =   0.004%
        T QD2   LEU   31 - HB    VAL   43   6.04 +/- 0.74   0.763% *  0.0588% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HB    VAL   43   6.14 +/- 0.54   0.588% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  11.18 +/- 0.50   0.015% *  0.0269% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 215.7:
      O T HG13  ILE   89 - HB    ILE   89   2.70 +/- 0.32  99.726% * 99.7821% (0.78  10.0 10.00   4.97 215.68) =  99.999%  kept
        T HG13  ILE   89 - HB    VAL   43   7.52 +/- 0.77   0.274% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.20 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 = 215.7:
      O   HN    ILE   89 - HB    ILE   89   2.35 +/- 0.40  99.917% * 99.5645% (0.61  10.0   5.59 215.68) = 100.000%  kept
          HN    ILE   89 - HB    VAL   43   9.39 +/- 0.70   0.040% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    VAL   43  10.28 +/- 0.64   0.024% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  13.54 +/- 0.76   0.005% *  0.1168% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  13.97 +/- 0.74   0.004% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  18.12 +/- 0.80   0.001% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  12.89 +/- 0.63   0.007% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  15.81 +/- 0.49   0.002% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  19.38 +/- 0.51   0.000% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  23.32 +/- 0.65   0.000% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.02 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   9.33 +/- 0.58 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.47 A violated in 20 structures by 5.87 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 0.634, residual support = 17.5:
          HD1   TRP   87 - QG2   ILE   89   4.09 +/- 0.15  99.715% * 90.8760% (0.95   0.63  17.49) =  99.996%  kept
          HN    TRP   27 - QG2   ILE   89  11.33 +/- 0.57   0.236% *  1.0337% (0.34   0.02   0.02) =   0.003%
          HN    LYS+ 102 - QG2   ILE   89  16.19 +/- 1.03   0.029% *  2.4265% (0.80   0.02   0.02) =   0.001%
          HN    THR   39 - QG2   ILE   89  18.72 +/- 0.45   0.011% *  2.7973% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE   89  19.38 +/- 0.48   0.009% *  2.8665% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 1 structures by 0.58 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.26, residual support = 40.8:
          HN    GLN   90 - QG2   ILE   89   2.06 +/- 0.37  99.938% * 99.1898% (0.61   7.26  40.77) = 100.000%  kept
          HN    SER   82 - QG2   ILE   89   7.92 +/- 0.56   0.058% *  0.4162% (0.92   0.02   0.02) =   0.000%
          HN    ILE  103 - QG2   ILE   89  13.85 +/- 1.18   0.002% *  0.1853% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  15.24 +/- 1.00   0.001% *  0.0696% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  18.23 +/- 0.67   0.000% *  0.1391% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 11.1:
        T HB2   PHE   45 - QG2   ILE   89   2.77 +/- 0.60  99.927% * 99.5807% (0.97 10.00   0.75  11.12) = 100.000%  kept
          QE    LYS+ 111 - QG2   ILE   89  12.65 +/- 0.89   0.026% *  0.2745% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QG2   ILE   89  10.88 +/- 1.05   0.047% *  0.1448% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.154, support = 5.47, residual support = 40.7:
          QG    GLN   90 - QG2   ILE   89   3.72 +/- 0.27  94.895% * 89.7506% (0.15   5.48  40.77) =  99.933%  kept
          HG2   MET   92 - QG2   ILE   89   7.56 +/- 0.96   2.263% *  1.5429% (0.73   0.02   0.02) =   0.041%
          HB2   GLU-  79 - QG2   ILE   89   8.50 +/- 0.91   0.785% *  1.2029% (0.57   0.02   0.02) =   0.011%
          HB2   ASP-  44 - QG2   ILE   89   7.97 +/- 0.64   1.115% *  0.5908% (0.28   0.02   0.02) =   0.008%
          HG2   PRO   52 - QG2   ILE   89   9.11 +/- 1.38   0.665% *  0.4730% (0.22   0.02   0.02) =   0.004%
          QG    GLU- 114 - QG2   ILE   89  11.02 +/- 1.01   0.196% *  1.3745% (0.65   0.02   0.02) =   0.003%
          HB3   PHE   72 - QG2   ILE   89  12.86 +/- 0.78   0.060% *  0.4205% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE   89  17.22 +/- 1.21   0.011% *  0.7974% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  21.78 +/- 0.57   0.002% *  1.5429% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  19.01 +/- 1.49   0.006% *  0.5298% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  25.81 +/- 1.59   0.001% *  1.7747% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 11.1:
        T HB3   PHE   45 - QG2   ILE   89   2.55 +/- 0.58  99.335% * 97.9151% (0.49 10.00   0.75  11.12) =  99.998%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.53 +/- 0.40   0.307% *  0.5364% (1.00  1.00   0.02   0.02) =   0.002%
          HG3   MET   96 - QG2   ILE   89   7.99 +/- 0.69   0.244% *  0.1830% (0.34  1.00   0.02   5.96) =   0.000%
          HB    VAL  107 - QG2   ILE   89   9.27 +/- 0.89   0.095% *  0.0828% (0.15  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG2   ILE   89  12.95 +/- 1.62   0.012% *  0.2611% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QG2   ILE   89  15.41 +/- 1.05   0.004% *  0.4100% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QG2   ILE   89  16.55 +/- 0.65   0.003% *  0.5177% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QG2   ILE   89  21.17 +/- 1.02   0.001% *  0.0939% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.474, support = 1.86, residual support = 10.4:
          QB    ALA   84 - QG2   ILE   89   2.85 +/- 0.60  94.380% * 30.0716% (0.49   1.60  10.56) =  92.917%  kept
          QB    ALA   88 - QG2   ILE   89   5.34 +/- 0.14   3.371% * 63.7739% (0.31   5.34   8.09) =   7.038%  kept
          HB3   LEU   80 - QG2   ILE   89   6.94 +/- 1.07   0.839% *  0.7670% (0.99   0.02   0.02) =   0.021%
          HB3   ASP-  44 - QG2   ILE   89   7.48 +/- 0.62   0.643% *  0.6713% (0.87   0.02   0.02) =   0.014%
          HB3   PRO   93 - QG2   ILE   89   7.54 +/- 0.72   0.650% *  0.3469% (0.45   0.02   0.02) =   0.007%
          HG    LEU   98 - QG2   ILE   89  11.16 +/- 1.16   0.052% *  0.4694% (0.61   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QG2   ILE   89  12.95 +/- 1.57   0.027% *  0.7468% (0.97   0.02   0.02) =   0.001%
          HB2   LEU   63 - QG2   ILE   89  13.25 +/- 1.20   0.020% *  0.7320% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   31 - QG2   ILE   89  13.75 +/- 0.45   0.013% *  0.7670% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  17.72 +/- 0.56   0.003% *  0.5914% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  19.65 +/- 1.05   0.002% *  0.5619% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  21.36 +/- 0.77   0.001% *  0.5006% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.69, residual support = 215.7:
      O T HG13  ILE   89 - QG2   ILE   89   2.45 +/- 0.31 100.000% *100.0000% (0.98  10.0 10.00   5.69 215.68) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 6.31, residual support = 215.6:
        T QD1   ILE   89 - QG2   ILE   89   2.19 +/- 0.39  94.781% * 99.2348% (0.92 10.00   6.31 215.68) =  99.959%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.25 +/- 0.83   5.202% *  0.7384% (0.69 10.00   0.02   0.02) =   0.041%
          QD2   LEU   31 - QG2   ILE   89   9.76 +/- 0.36   0.017% *  0.0268% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 215.7:
      O T QD1   ILE   89 - HG12  ILE   89   2.14 +/- 0.02  99.358% * 99.4549% (0.92  10.0 10.00   5.60 215.68) = 100.000%  kept
          QG2   VAL   83 - HG12  ILE   89   5.83 +/- 1.07   0.629% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   89 - HG3   LYS+  99  15.28 +/- 0.70   0.001% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  11.48 +/- 0.67   0.005% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  10.96 +/- 1.03   0.007% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  16.54 +/- 0.92   0.001% *  0.0300% (0.28   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 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.16, residual support = 215.7:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.5961% (0.98  10.0 10.00   5.16 215.68) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  19.99 +/- 0.94   0.000% *  0.4039% (0.40   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 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.27, residual support = 215.7:
      O T QD1   ILE   89 - HG13  ILE   89   2.14 +/- 0.02  97.075% * 99.8079% (0.90  10.0 10.00   5.27 215.68) =  99.997%  kept
          QG2   VAL   83 - HG13  ILE   89   5.28 +/- 1.32   2.919% *  0.1113% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   31 - HG13  ILE   89  11.07 +/- 0.91   0.006% *  0.0808% (0.73   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 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.69, residual support = 215.7:
      O T QG2   ILE   89 - HG13  ILE   89   2.45 +/- 0.31  98.922% * 99.9734% (0.84  10.0 10.00   5.69 215.68) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   7.38 +/- 1.51   1.078% *  0.0266% (0.22   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 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 215.7:
      O T HB    ILE   89 - HG13  ILE   89   2.70 +/- 0.32  99.693% * 98.8208% (0.49  10.0 10.00   4.97 215.68) =  99.997%  kept
        T HB    VAL   43 - HG13  ILE   89   7.52 +/- 0.77   0.273% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+  81 - HG13  ILE   89  10.73 +/- 0.94   0.031% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  18.02 +/- 0.99   0.001% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  17.83 +/- 0.95   0.001% *  0.0313% (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 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.54, residual support = 215.7:
          HN    ILE   89 - HG13  ILE   89   3.67 +/- 0.73  99.897% * 98.7843% (0.76   5.54 215.68) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  13.42 +/- 0.96   0.067% *  0.4183% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  16.30 +/- 1.31   0.028% *  0.4412% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  22.86 +/- 0.75   0.002% *  0.2640% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  19.27 +/- 1.12   0.006% *  0.0923% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.79, residual support = 215.7:
          HN    ILE   89 - HG12  ILE   89   2.66 +/- 0.62  99.926% * 98.2351% (0.76   5.79 215.68) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99  11.10 +/- 1.15   0.045% *  0.1020% (0.23   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  14.72 +/- 0.73   0.006% *  0.3983% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  16.56 +/- 1.28   0.005% *  0.4201% (0.95   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  15.98 +/- 1.41   0.004% *  0.1704% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  13.89 +/- 0.94   0.011% *  0.0356% (0.08   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  20.75 +/- 1.01   0.001% *  0.1615% (0.36   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.13 +/- 1.04   0.001% *  0.1376% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  23.25 +/- 0.51   0.000% *  0.2514% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  19.79 +/- 0.84   0.001% *  0.0879% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 215.7:
      O T HG13  ILE   89 - QD1   ILE   89   2.14 +/- 0.02 100.000% *100.0000% (0.98  10.0 10.00   5.27 215.68) = 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 = 6.31, residual support = 215.7:
        T QG2   ILE   89 - QD1   ILE   89   2.19 +/- 0.39  99.504% * 99.7342% (0.84 10.00   6.31 215.68) =  99.999%  kept
        T QG1   VAL   83 - QD1   ILE   89   5.88 +/- 0.84   0.496% *  0.2658% (0.22 10.00   0.02   0.02) =   0.001%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.6, residual support = 215.7:
      O T HG12  ILE   89 - QD1   ILE   89   2.14 +/- 0.02  99.966% * 99.2664% (1.00  10.0 10.00   5.60 215.68) = 100.000%  kept
          HG2   LYS+  74 - QD1   ILE   89   8.80 +/- 0.78   0.024% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  15.28 +/- 0.70   0.001% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   89  12.28 +/- 1.18   0.003% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  13.85 +/- 0.90   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  13.44 +/- 1.10   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  14.46 +/- 1.60   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  14.76 +/- 0.74   0.001% *  0.0277% (0.28   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 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.31, residual support = 215.6:
      O T HB    ILE   89 - QD1   ILE   89   2.46 +/- 0.49  97.650% * 98.8208% (0.49  10.0 10.00   5.31 215.68) =  99.976%  kept
        T HB    VAL   43 - QD1   ILE   89   5.03 +/- 0.71   2.296% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.024%
          QD    LYS+  81 - QD1   ILE   89   9.76 +/- 0.56   0.043% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  13.66 +/- 0.68   0.005% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  13.49 +/- 0.63   0.006% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 1.5, residual support = 5.96:
        T HB3   MET   96 - QD1   ILE   89   3.91 +/- 0.84  99.663% * 99.2551% (0.53 10.00   1.50   5.96) =  99.999%  kept
          HB3   ARG+  54 - QD1   ILE   89  14.25 +/- 1.32   0.088% *  0.2182% (0.87  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   ILE   89  13.10 +/- 1.08   0.121% *  0.1526% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD1   ILE   89  14.26 +/- 0.82   0.061% *  0.2256% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   ILE   89  15.04 +/- 1.14   0.059% *  0.0858% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   ILE   89  20.34 +/- 1.63   0.009% *  0.0627% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 4 structures by 0.51 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.61, residual support = 17.5:
        T HB3   TRP   87 - QD1   ILE   89   2.10 +/- 0.19  99.339% * 99.8369% (0.76 10.00   3.61  17.49) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89   5.14 +/- 0.56   0.660% *  0.0177% (0.14  1.00   0.02   5.96) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  15.82 +/- 0.87   0.001% *  0.1091% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  19.41 +/- 1.03   0.000% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.483, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  10.70 +/- 1.03  50.843% * 62.4025% (0.57   0.02   0.02) =  63.190%  kept
          HB    THR  118 - QD1   ILE   89  10.75 +/- 0.56  49.157% * 37.5975% (0.34   0.02   0.02) =  36.810%  kept
    Distance limit 2.88 A violated in 20 structures by 6.60 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 2.64, residual support = 11.1:
          QD    PHE   45 - QD1   ILE   89   2.75 +/- 0.37  99.987% * 96.2392% (0.45   2.64  11.12) = 100.000%  kept
          HD2   HIS  122 - QD1   ILE   89  13.31 +/- 1.12   0.010% *  1.6119% (0.99   0.02   0.02) =   0.000%
          HE22  GLN  116 - QD1   ILE   89  17.08 +/- 1.23   0.002% *  1.5941% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   17 - QD1   ILE   89  19.45 +/- 1.17   0.001% *  0.5547% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.35, residual support = 17.5:
          HN    TRP   87 - QD1   ILE   89   4.24 +/- 0.17  68.919% * 79.1771% (0.97   2.38  17.49) =  90.021%  kept
          HE3   TRP   87 - QD1   ILE   89   4.87 +/- 0.19  31.047% * 19.4821% (0.28   2.03  17.49) =   9.978%  kept
          HN    GLN   17 - QD1   ILE   89  16.53 +/- 0.61   0.021% *  0.6890% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  17.90 +/- 1.16   0.014% *  0.6518% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 5.92, residual support = 215.7:
          HN    ILE   89 - QD1   ILE   89   3.19 +/- 0.45  99.863% * 98.8600% (0.76   5.92 215.68) =  99.999%  kept
          HN    CYS   21 - QD1   ILE   89  10.90 +/- 0.64   0.088% *  0.3922% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  12.79 +/- 0.61   0.032% *  0.4137% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  17.93 +/- 0.62   0.004% *  0.2476% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  15.11 +/- 0.51   0.012% *  0.0865% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.69, residual support = 90.0:
          HN    GLN   90 - QG    GLN   90   3.30 +/- 0.68  99.789% * 99.2293% (0.69   5.69  90.02) =  99.999%  kept
          HN    GLY  109 - QG    GLN   90  10.14 +/- 1.62   0.204% *  0.3491% (0.69   0.02   0.02) =   0.001%
          HN    ILE  103 - QG    GLN   90  17.82 +/- 1.75   0.006% *  0.4216% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 90.0:
      O   HN    GLN   90 - HB3   GLN   90   3.40 +/- 0.27  99.587% * 99.8365% (0.83  10.0   5.59  90.02) = 100.000%  kept
          HN    SER   82 - HB3   GLN   90  10.47 +/- 1.57   0.210% *  0.0452% (0.37   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLN   90  10.44 +/- 1.71   0.200% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  20.11 +/- 1.98   0.003% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.9, residual support = 54.9:
      O   HN    GLU-  79 - HB3   GLU-  79   2.97 +/- 0.44  99.072% * 98.3257% (0.16  10.0   3.90  54.87) =  99.997%  kept
          HN    SER   85 - HB2   GLN   90   7.69 +/- 0.97   0.635% *  0.3734% (0.61   1.0   0.02   0.02) =   0.002%
          HN    THR   94 - HB2   GLN   90  10.10 +/- 0.64   0.095% *  0.3357% (0.55   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.64 +/- 0.52   0.074% *  0.2703% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB2   GLN   90  10.22 +/- 1.48   0.108% *  0.1359% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB3   GLU-  79  14.05 +/- 1.01   0.012% *  0.2429% (0.40   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.28 +/- 0.87   0.004% *  0.1327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  23.61 +/- 0.85   0.001% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 4.26, residual support = 54.9:
      O T HA    GLU-  79 - HB3   GLU-  79   2.77 +/- 0.20  90.500% * 97.1719% (0.57  10.0 10.00   4.26  54.87) =  99.988%  kept
          HB    THR   77 - HB2   GLN   90   5.25 +/- 1.73   8.676% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.011%
          HA    SER   85 - HB2   GLN   90   6.96 +/- 0.75   0.573% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - HB2   GLN   90  11.95 +/- 1.48   0.019% *  1.3427% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   8.09 +/- 0.53   0.188% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  14.01 +/- 2.44   0.009% *  0.1188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.39 +/- 0.83   0.008% *  0.0995% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.04 +/- 0.72   0.011% *  0.0720% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.14 +/- 0.50   0.009% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  17.12 +/- 2.03   0.002% *  0.0776% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.50 +/- 1.35   0.002% *  0.0860% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.88 +/- 1.38   0.002% *  0.0561% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  20.34 +/- 1.49   0.001% *  0.1229% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  21.89 +/- 1.61   0.000% *  0.0889% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.02 +/- 0.82   0.000% *  0.0938% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  28.11 +/- 0.65   0.000% *  0.1296% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  29.67 +/- 2.41   0.000% *  0.0681% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.98 +/- 2.45   0.000% *  0.0941% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.639, support = 0.549, residual support = 0.497:
          QB    ALA   88 - QG    GLN   90   5.09 +/- 1.16  33.086% * 91.3758% (0.62   0.60   0.54) =  91.232%  kept
          QG2   THR   77 - QG    GLN   90   4.12 +/- 1.41  66.873% *  4.3441% (0.88   0.02   0.02) =   8.766%  kept
          QG2   THR   23 - QG    GLN   90  13.02 +/- 1.62   0.039% *  1.6633% (0.34   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QG    GLN   90  22.77 +/- 1.05   0.001% *  1.1051% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  26.54 +/- 1.15   0.000% *  1.5117% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.12 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 = 0.315, support = 0.0199, residual support = 0.0199:
          QG    LYS+  81 - QG    GLN   90   6.43 +/- 1.52  90.636% *  3.4351% (0.18   0.02   0.02) =  76.914%  kept
          HB3   LYS+ 111 - QG    GLN   90  15.38 +/- 2.12   2.096% * 17.3580% (0.90   0.02   0.02) =   8.987%  kept
          HD3   LYS+  74 - QG    GLN   90  13.04 +/- 2.00   2.036% * 17.3194% (0.89   0.02   0.02) =   8.711%  kept
          HG2   LYS+ 106 - QG    GLN   90  13.61 +/- 1.88   4.296% *  2.6782% (0.14   0.02   0.02) =   2.842%  kept
          HG    LEU  104 - QG    GLN   90  19.83 +/- 1.46   0.266% * 17.0143% (0.88   0.02   0.02) =   1.119%  kept
          HB3   LYS+ 121 - QG    GLN   90  20.88 +/- 1.32   0.180% * 17.0143% (0.88   0.02   0.02) =   0.756%  kept
          HD2   LYS+ 121 - QG    GLN   90  20.24 +/- 1.46   0.234% *  3.8645% (0.20   0.02   0.02) =   0.223%
          QD    LYS+  66 - QG    GLN   90  22.45 +/- 1.34   0.090% *  9.8273% (0.51   0.02   0.02) =   0.219%
          HG2   LYS+  33 - QG    GLN   90  22.11 +/- 1.23   0.078% *  8.4490% (0.44   0.02   0.02) =   0.163%
          HG2   LYS+  65 - QG    GLN   90  22.59 +/- 1.43   0.088% *  3.0399% (0.16   0.02   0.02) =   0.066%
    Distance limit 3.65 A violated in 19 structures by 2.65 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 62.2:
      O   HG3   MET   92 - HB2   MET   92   2.62 +/- 0.25  99.788% * 96.5136% (0.73  10.0  1.00   2.96  62.17) =  99.998%  kept
        T QG    GLN   90 - HB2   MET   92   8.21 +/- 1.11   0.190% *  1.0643% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   ASP- 105 - HB2   MET   92  16.18 +/- 1.21   0.002% *  0.4534% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   MET   92  13.22 +/- 0.82   0.007% *  0.0806% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  15.22 +/- 1.09   0.003% *  0.1326% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  13.98 +/- 1.90   0.008% *  0.0233% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  26.71 +/- 2.00   0.000% *  0.8598% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  24.56 +/- 1.38   0.000% *  0.6469% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  19.01 +/- 0.87   0.001% *  0.0965% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  25.60 +/- 0.74   0.000% *  0.1110% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.95 +/- 1.01   0.000% *  0.0180% (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 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.65, residual support = 62.2:
      O   HN    MET   92 - HB2   MET   92   3.13 +/- 0.51  99.616% * 99.7272% (0.92  10.0   3.65  62.17) = 100.000%  kept
          HN    THR   46 - HB2   MET   92   9.71 +/- 1.24   0.206% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  11.13 +/- 2.01   0.173% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  17.05 +/- 1.11   0.005% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  39.64 +/- 2.51   0.000% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 62.2:
      O T HA    MET   92 - HB2   MET   92   2.86 +/- 0.24  99.999% * 99.8006% (0.61  10.0 10.00   3.87  62.17) = 100.000%  kept
          HA    HIS  122 - HB2   MET   92  22.87 +/- 1.14   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB2   MET   92  20.98 +/- 0.58   0.001% *  0.0676% (0.41   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 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 62.2:
      O   HG3   MET   92 - HB3   MET   92   2.68 +/- 0.30  99.819% * 99.2141% (0.73  10.0   3.29  62.17) = 100.000%  kept
          QG    GLN   90 - HB3   MET   92   9.04 +/- 0.95   0.149% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   MET   92  12.46 +/- 0.90   0.013% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  13.85 +/- 1.00   0.007% *  0.1363% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.17 +/- 1.11   0.004% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  14.22 +/- 1.91   0.007% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  18.14 +/- 0.94   0.001% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  25.51 +/- 0.91   0.000% *  0.1141% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  23.82 +/- 1.46   0.000% *  0.0665% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  26.07 +/- 1.93   0.000% *  0.0884% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  27.30 +/- 1.01   0.000% *  0.0185% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 62.2:
      O T HA    MET   92 - HB3   MET   92   2.77 +/- 0.20  99.999% * 99.8006% (0.61  10.0 10.00   4.22  62.17) = 100.000%  kept
          HA    HIS  122 - HB3   MET   92  21.64 +/- 1.03   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  20.33 +/- 0.43   0.001% *  0.0676% (0.41   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 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 62.2:
      O T HA    MET   92 - HG2   MET   92   2.68 +/- 0.42  99.999% * 99.8006% (0.61  10.0 10.00   2.49  62.17) = 100.000%  kept
          HA    HIS  122 - HG2   MET   92  23.27 +/- 1.49   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  21.88 +/- 1.17   0.001% *  0.0676% (0.41   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 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.325, support = 0.02, residual support = 2.4:
          HB2   SER   37 - QG2   THR   39   3.42 +/- 0.44  94.690% * 10.7941% (0.30   0.02   2.67) =  89.913%  kept
          HA1   GLY   16 - QG2   THR   39   7.74 +/- 2.06   5.190% * 21.7367% (0.60   0.02   0.02) =   9.925%  kept
          HA    LYS+  66 - QG2   THR   39  11.40 +/- 0.77   0.100% * 16.6488% (0.46   0.02   0.02) =   0.147%
          HA1   GLY   16 - QG2   THR   23  17.36 +/- 1.15   0.007% * 12.1974% (0.33   0.02   0.02) =   0.008%
          HB2   SER   37 - QG2   THR   23  17.47 +/- 0.93   0.006% *  6.0571% (0.17   0.02   0.02) =   0.003%
          HA    LYS+  66 - QG2   THR   23  21.91 +/- 1.00   0.002% *  9.3424% (0.26   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    ALA   91  22.81 +/- 1.10   0.001% * 10.2645% (0.28   0.02   0.02) =   0.001%
          HA    LYS+  66 - QB    ALA   91  22.33 +/- 1.55   0.002% *  7.8619% (0.22   0.02   0.02) =   0.001%
          HB2   SER   37 - QB    ALA   91  25.52 +/- 1.07   0.001% *  5.0972% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.19 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.0, residual support = 62.2:
      O   HN    MET   92 - HB3   MET   92   3.83 +/- 0.31  99.268% * 99.8535% (0.92  10.0   4.00  62.17) = 100.000%  kept
          HN    THR   46 - HB3   MET   92   9.53 +/- 1.29   0.504% *  0.0827% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   MET   92  11.77 +/- 1.81   0.212% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  16.59 +/- 1.23   0.016% *  0.0369% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.717, support = 0.0199, residual support = 0.0199:
          HA    THR   46 - HB3   MET   92   7.47 +/- 1.60  60.096% * 16.4223% (0.80   0.02   0.02) =  84.640%  kept
          HA    GLN   90 - HB3   MET   92   8.65 +/- 0.32  29.696% *  3.5917% (0.18   0.02   0.02) =   9.147%  kept
          HA    PHE   55 - HB3   MET   92  10.84 +/- 1.20   8.222% *  6.3300% (0.31   0.02   0.02) =   4.464%  kept
          HA    VAL   42 - HB3   MET   92  16.34 +/- 0.44   0.661% * 18.3930% (0.90   0.02   0.02) =   1.043%  kept
          HA    PRO   58 - HB3   MET   92  15.09 +/- 1.12   1.052% *  5.1139% (0.25   0.02   0.02) =   0.461%
          HA    GLN   17 - HB3   MET   92  21.76 +/- 1.13   0.114% * 17.7900% (0.87   0.02   0.02) =   0.174%
          HA    LEU   40 - HB3   MET   92  22.73 +/- 0.57   0.093% *  3.1644% (0.15   0.02   0.02) =   0.025%
          HA    SER   37 - HB3   MET   92  31.18 +/- 0.56   0.014% * 17.7900% (0.87   0.02   0.02) =   0.021%
          HA    GLU-  15 - HB3   MET   92  25.74 +/- 1.18   0.040% *  5.7022% (0.28   0.02   0.02) =   0.020%
          HA    SER   13 - HB3   MET   92  32.09 +/- 1.68   0.012% *  5.7022% (0.28   0.02   0.02) =   0.006%
    Distance limit 4.12 A violated in 16 structures by 2.63 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 62.2:
      O T HA    MET   92 - HG3   MET   92   3.20 +/- 0.62  99.976% * 99.9198% (0.99  10.0 10.00   3.97  62.17) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  15.33 +/- 1.59   0.023% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  23.55 +/- 1.20   0.001% *  0.0311% (0.31   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 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.74, residual support = 62.2:
          HN    MET   92 - HG3   MET   92   3.78 +/- 0.44  99.289% * 99.2221% (0.92   3.74  62.17) =  99.997%  kept
          HN    THR   46 - HG3   MET   92  10.77 +/- 1.54   0.567% *  0.4388% (0.76   0.02   0.02) =   0.003%
          HN    ASP- 113 - HG3   MET   92  12.63 +/- 1.92   0.129% *  0.1432% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  18.13 +/- 1.67   0.015% *  0.1959% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.407, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB2   PRO   93   7.69 +/- 0.55  90.773% * 67.4545% (0.41   0.02   0.02) =  98.709%  kept
          HN    LYS+  65 - HB2   PRO   93  15.26 +/- 1.21   1.729% * 25.3164% (0.15   0.02   0.02) =   0.706%  kept
          QD    PHE   45 - HG3   GLN   30  12.36 +/- 1.04   6.551% *  5.2564% (0.03   0.02   0.02) =   0.555%  kept
          HN    LYS+  65 - HG3   GLN   30  16.68 +/- 0.95   0.947% *  1.9728% (0.01   0.02   0.02) =   0.030%
    Distance limit 4.22 A violated in 20 structures by 3.36 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   3.82 +/- 0.18  99.894% * 99.8806% (1.00  10.0   4.39  15.59) = 100.000%  kept
          HN    GLU-  79 - HB2   PRO   93  14.77 +/- 1.60   0.040% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   PRO   93  15.80 +/- 0.65   0.021% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  15.75 +/- 0.80   0.023% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  17.89 +/- 1.37   0.012% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  17.84 +/- 0.73   0.010% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.408, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   9.30 +/- 0.41  97.012% * 72.7108% (0.41   0.02   0.02) =  98.857%  kept
          HN    LYS+  65 - HG2   PRO   93  16.97 +/- 1.32   2.988% * 27.2892% (0.15   0.02   0.02) =   1.143%  kept
    Distance limit 4.06 A violated in 20 structures by 5.20 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 = 132.4:
      O   HB2   PRO   93 - HG3   PRO   93   2.58 +/- 0.28  99.777% * 98.6893% (0.84  10.0  1.00   5.30 132.44) = 100.000%  kept
          HB    VAL  108 - HG3   PRO   93   8.58 +/- 1.25   0.132% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG3   PRO   93   9.53 +/- 2.22   0.080% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  12.97 +/- 1.26   0.010% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  22.84 +/- 1.65   0.000% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  21.63 +/- 0.99   0.000% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.71 +/- 0.71   0.000% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  23.66 +/- 1.50   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  37.26 +/- 2.29   0.000% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.4:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  99.840% * 96.9677% (0.99  10.0 10.00   3.97 132.44) = 100.000%  kept
          HB3   PRO   52 - HG3   PRO   93   6.23 +/- 1.69   0.159% *  0.0367% (0.38   1.0  1.00   0.02   0.53) =   0.000%
        T QB    LYS+  65 - HG3   PRO   93  16.56 +/- 1.44   0.000% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  19.22 +/- 0.73   0.000% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  18.25 +/- 2.12   0.000% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  20.53 +/- 1.06   0.000% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  15.95 +/- 1.55   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  17.93 +/- 0.82   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  20.24 +/- 1.01   0.000% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  21.62 +/- 1.59   0.000% *  0.0218% (0.22   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 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.97, residual support = 132.4:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  99.392% * 97.0769% (0.95  10.0 10.00   3.97 132.44) =  99.999%  kept
          HB3   MET   92 - HG2   PRO   93   4.26 +/- 0.42   0.591% *  0.0947% (0.92   1.0  1.00   0.02   1.72) =   0.001%
        T HD2   LYS+ 111 - HG2   PRO   93   8.66 +/- 1.53   0.015% *  1.0059% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  11.22 +/- 0.87   0.002% *  0.0622% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  20.79 +/- 1.48   0.000% *  0.8217% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  17.87 +/- 1.50   0.000% *  0.2285% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  17.54 +/- 1.31   0.000% *  0.0822% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  18.71 +/- 1.86   0.000% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  15.18 +/- 1.84   0.000% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  26.37 +/- 0.98   0.000% *  0.4219% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  16.94 +/- 0.82   0.000% *  0.0285% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.16 +/- 1.00   0.000% *  0.0581% (0.57   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 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.4:
      O   HD3   PRO   93 - HG3   PRO   93   2.51 +/- 0.29  95.518% * 99.5358% (0.97  10.0   3.97 132.44) =  99.995%  kept
          QB    PHE   55 - HG3   PRO   93   5.42 +/- 2.09   3.609% *  0.1029% (1.00   1.0   0.02   0.02) =   0.004%
          HB3   CYS   53 - HG3   PRO   93   6.55 +/- 1.83   0.731% *  0.0861% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG3   PRO   93   8.63 +/- 1.57   0.126% *  0.0952% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93  11.38 +/- 1.96   0.015% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  21.70 +/- 1.72   0.000% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 132.4:
      O   HD2   PRO   93 - HG3   PRO   93   2.67 +/- 0.27  99.991% * 99.4436% (0.25  10.0   3.97 132.44) = 100.000%  kept
          HA    THR   77 - HG3   PRO   93  13.37 +/- 1.23   0.008% *  0.3681% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   PRO   93  19.86 +/- 0.77   0.001% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  22.74 +/- 0.68   0.000% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  16.87 +/- 1.40 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.10 A violated in 20 structures by 12.76 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.711, support = 1.99, residual support = 5.28:
          HN    ALA  110 - HD2   PRO   93   4.13 +/- 1.21  96.350% * 77.5828% (0.71   2.00   5.33) =  99.017%  kept
          HN    PHE   45 - HD2   PRO   93   8.80 +/- 0.52   3.349% * 22.1565% (0.61   0.67   0.02) =   0.983%  kept
          HN    ASP-  44 - HD2   PRO   93  13.07 +/- 0.52   0.292% *  0.1221% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  25 - HD2   PRO   93  23.07 +/- 0.96   0.009% *  0.1386% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 6 structures by 0.47 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.381, support = 0.02, residual support = 0.02:
          HA1   GLY  109 - HD2   PRO   93   5.62 +/- 1.13  88.722% * 14.0670% (0.38   0.02   0.02) =  89.019%  kept
          HA    CYS   50 - HD2   PRO   93   9.31 +/- 1.56   9.755% * 13.0143% (0.35   0.02   0.02) =   9.055%  kept
          HA    TRP   49 - HD2   PRO   93  12.81 +/- 1.21   1.316% * 18.3659% (0.50   0.02   0.02) =   1.724%  kept
          HA    CYS   21 - HD2   PRO   93  20.52 +/- 0.97   0.057% * 23.1925% (0.63   0.02   0.02) =   0.094%
          HA    LYS+ 102 - HD2   PRO   93  22.01 +/- 0.74   0.037% * 26.6778% (0.72   0.02   0.02) =   0.070%
          HA    ALA   20 - HD2   PRO   93  18.38 +/- 1.17   0.114% *  4.6825% (0.13   0.02   0.02) =   0.038%
    Distance limit 4.12 A violated in 14 structures by 1.40 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.687, support = 2.0, residual support = 5.33:
          QB    ALA  110 - HD2   PRO   93   3.57 +/- 1.38  90.823% * 92.9394% (0.69   2.00   5.33) =  99.979%  kept
          HB3   LEU  115 - HD2   PRO   93   8.33 +/- 2.10   8.807% *  0.1721% (0.13   0.02   0.02) =   0.018%
          QB    ALA   61 - HD2   PRO   93  13.38 +/- 1.11   0.094% *  0.9803% (0.72   0.02   0.02) =   0.001%
          HG    LEU   80 - HD2   PRO   93  17.27 +/- 1.14   0.037% *  0.9482% (0.70   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   PRO   93  16.67 +/- 1.98   0.058% *  0.4782% (0.35   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   PRO   93  15.60 +/- 1.02   0.063% *  0.3032% (0.22   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   PRO   93  18.06 +/- 1.86   0.022% *  0.7867% (0.58   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD2   PRO   93  17.22 +/- 1.93   0.050% *  0.3351% (0.25   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   PRO   93  18.36 +/- 0.67   0.019% *  0.5959% (0.44   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   PRO   93  21.24 +/- 1.39   0.009% *  0.9294% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   PRO   93  22.42 +/- 1.00   0.005% *  0.8811% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   PRO   93  23.60 +/- 1.39   0.004% *  0.4782% (0.35   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  20.01 +/- 0.74   0.009% *  0.1721% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 3 structures by 0.50 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.638, support = 1.27, residual support = 7.81:
          QB    ALA  110 - HD3   PRO   93   4.07 +/- 1.40  58.990% * 57.1275% (0.78   0.75   5.33) =  80.038%  kept
          HB3   LEU   67 - HD3   PRO   68   4.44 +/- 0.27  31.237% * 26.0693% (0.08   3.43  18.30) =  19.340%  kept
          QG    LYS+  66 - HD3   PRO   68   5.68 +/- 1.13   9.285% *  2.7917% (0.05   0.58   0.02) =   0.616%  kept
          QB    ALA   61 - HD3   PRO   93  12.75 +/- 1.06   0.053% *  1.1361% (0.58   0.02   0.02) =   0.001%
          QB    ALA   61 - HD3   PRO   68  10.41 +/- 0.80   0.177% *  0.2022% (0.10   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HD3   PRO   93  14.99 +/- 1.12   0.022% *  1.4063% (0.72   0.02   0.02) =   0.001%
          HB2   LEU   80 - HD3   PRO   93  16.58 +/- 1.97   0.016% *  1.6613% (0.85   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HD3   PRO   93  18.20 +/- 2.06   0.012% *  1.4669% (0.75   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   93  17.17 +/- 1.07   0.010% *  1.4669% (0.75   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   68  14.25 +/- 2.55   0.051% *  0.2611% (0.13   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   68  13.96 +/- 1.53   0.035% *  0.2885% (0.15   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  18.14 +/- 0.37   0.007% *  0.9240% (0.47   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  18.02 +/- 1.83   0.010% *  0.5421% (0.28   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  14.66 +/- 1.13   0.022% *  0.1644% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  22.09 +/- 0.99   0.002% *  1.6212% (0.83   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  21.39 +/- 1.37   0.003% *  0.8548% (0.44   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  17.42 +/- 1.19   0.008% *  0.2503% (0.13   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  18.43 +/- 0.68   0.006% *  0.3076% (0.16   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  14.11 +/- 0.87   0.030% *  0.0547% (0.03   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  15.66 +/- 1.47   0.018% *  0.0869% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  19.50 +/- 2.40   0.005% *  0.2711% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  24.92 +/- 1.19   0.001% *  0.2957% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  24.33 +/- 1.27   0.001% *  0.2611% (0.13   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  28.64 +/- 1.55   0.000% *  0.4883% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.5:
          QG2   ILE   89 - HB    THR   94   3.02 +/- 0.62 100.000% *100.0000% (0.28   2.00   5.50) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 2.0, residual support = 5.5:
          QD1   ILE   89 - HB    THR   94   2.46 +/- 0.57  99.537% * 98.9959% (0.77   2.00   5.50) =  99.997%  kept
          QG2   VAL   83 - HB    THR   94   7.18 +/- 0.68   0.443% *  0.7366% (0.57   0.02   0.02) =   0.003%
          QD2   LEU   31 - HB    THR   94  11.77 +/- 0.42   0.021% *  0.2674% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.0:
        T HB2   PHE   45 - HB    THR   94   2.65 +/- 0.43  99.981% * 99.8423% (0.81 10.00   2.96  27.03) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  12.78 +/- 0.80   0.012% *  0.1032% (0.83  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  13.71 +/- 0.94   0.007% *  0.0544% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3025 (5.59, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.146, support = 0.02, residual support = 0.02:
          HA    LEU   73 - HB    THR   94  12.83 +/- 0.51 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.92 A violated in 20 structures by 9.91 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 = 25.1:
      O   HN    THR   94 - HB    THR   94   2.84 +/- 0.17  99.925% * 99.8964% (0.83  10.0   3.08  25.15) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  11.62 +/- 0.70   0.025% *  0.0727% (0.61   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94  10.25 +/- 0.48   0.050% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 27.0:
          HN    PHE   45 - HB    THR   94   3.99 +/- 0.26  97.787% * 99.4994% (0.81   3.30  27.03) =  99.989%  kept
          HN    ALA  110 - HB    THR   94   8.08 +/- 1.26   2.213% *  0.5006% (0.67   0.02   0.02) =   0.011%
    Distance limit 4.13 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3028 (5.61, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   THR   94   5.40 +/- 0.35 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.41 A violated in 20 structures by 1.98 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.18, residual support = 14.4:
          HN    PHE   95 - QG2   THR   94   2.78 +/- 0.26 100.000% *100.0000% (0.97   4.18  14.41) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.684, support = 0.0199, residual support = 0.0199:
          HA    TRP   87 - HA    PHE   95  10.50 +/- 0.68  40.821% * 25.3593% (0.76   0.02   0.02) =  54.515%  kept
          HA    LEU  104 - HA    PHE   95  12.11 +/- 0.52  17.470% * 27.7167% (0.84   0.02   0.02) =  25.499%  kept
          HA    PHE   59 - HA    PHE   95  10.96 +/- 1.06  33.802% *  8.2742% (0.25   0.02   0.02) =  14.729%  kept
          HA    ASP-  86 - HA    PHE   95  13.98 +/- 0.61   7.143% * 12.4539% (0.38   0.02   0.02) =   4.685%  kept
          HA    GLU-  14 - HA    PHE   95  21.58 +/- 1.29   0.622% * 14.8769% (0.45   0.02   0.02) =   0.488%
          HA    ALA   12 - HA    PHE   95  27.40 +/- 1.72   0.142% * 11.3190% (0.34   0.02   0.02) =   0.085%
    Distance limit 3.45 A violated in 20 structures by 5.52 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   2.49 +/- 0.43  99.975% * 99.8140% (0.87   3.44  73.50) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.74 +/- 0.50   0.025% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.59 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 +/- 0.02  99.995% * 99.9753% (0.80  10.0   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.61 +/- 0.53   0.005% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.33, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.00 100.000% *100.0000% (0.53  10.0   4.33  73.50) = 100.000%  kept
    Distance limit 3.69 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 +/- 0.11  99.994% * 99.9680% (0.87  10.0   3.00  73.50) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  12.32 +/- 0.53   0.006% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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   2.61 +/- 0.18  99.990% * 99.9680% (0.87  10.0   3.31  73.50) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.36 +/- 0.69   0.010% *  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 = 4.19, residual support = 73.5:
      O   HN    PHE   95 - HB3   PHE   95   3.63 +/- 0.16 100.000% *100.0000% (0.53  10.0   4.19  73.50) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.53 +/- 0.19 100.000% *100.0000% (0.53  10.0   3.86  73.50) = 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 = 1.73, residual support = 45.8:
          QG2   VAL  107 - HB3   PHE   95   4.78 +/- 0.54  84.269% * 95.9770% (0.84   1.74  45.83) =  99.888%  kept
          HG13  ILE  119 - HB3   PHE   95   7.21 +/- 1.16  12.091% *  0.5443% (0.41   0.02   0.02) =   0.081%
          HG13  ILE  103 - HB3   PHE   95   8.95 +/- 0.78   2.680% *  0.4969% (0.38   0.02   0.02) =   0.016%
          HG2   LYS+ 121 - HB3   PHE   95  11.39 +/- 0.97   0.654% *  1.2977% (0.98   0.02   0.02) =   0.010%
          QB    ALA   20 - HB3   PHE   95  13.83 +/- 0.73   0.191% *  1.1873% (0.90   0.02   0.02) =   0.003%
          HB3   LEU   31 - HB3   PHE   95  14.91 +/- 0.82   0.115% *  0.4969% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 8 structures by 0.93 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.664, support = 1.3, residual support = 3.7:
          QD1   LEU   63 - HB3   PHE   95   4.89 +/- 1.85  67.461% * 46.6970% (0.57   1.45   1.67) =  70.112%  kept
          QD2   LEU  115 - HB3   PHE   95   6.15 +/- 1.37  27.074% * 49.4616% (0.90   0.97   8.47) =  29.803%  kept
          QD1   LEU  104 - HB3   PHE   95   9.59 +/- 1.26   2.154% *  1.1400% (1.00   0.02   0.02) =   0.055%
          QD1   LEU   73 - HB3   PHE   95   9.85 +/- 0.73   0.994% *  0.6454% (0.57   0.02   0.02) =   0.014%
          QG2   ILE   89 - HB3   PHE   95   8.49 +/- 0.57   1.884% *  0.1759% (0.15   0.02   0.02) =   0.007%
          QD2   LEU   80 - HB3   PHE   95  13.02 +/- 1.04   0.209% *  1.0523% (0.92   0.02   0.02) =   0.005%
          QG1   VAL   83 - HB3   PHE   95  12.10 +/- 0.77   0.224% *  0.8278% (0.73   0.02   0.02) =   0.004%
    Distance limit 3.62 A violated in 3 structures by 0.48 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 0.745, residual support = 1.47:
          QG1   VAL   42 - HB3   PHE   95   4.89 +/- 0.59  95.187% * 79.5643% (0.65   0.75   1.48) =  99.151%  kept
          QB    ALA   64 - HB3   PHE   95   8.76 +/- 0.92   3.707% * 16.9169% (0.53   0.20   0.02) =   0.821%  kept
          QB    ALA   47 - HB3   PHE   95  11.53 +/- 0.52   0.661% *  2.5065% (0.76   0.02   0.02) =   0.022%
          HG2   LYS+ 112 - HB3   PHE   95  13.02 +/- 1.44   0.445% *  1.0123% (0.31   0.02   0.02) =   0.006%
    Distance limit 3.64 A violated in 14 structures by 1.23 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.59, residual support = 45.8:
          QG2   VAL  107 - HB2   PHE   95   3.66 +/- 0.51  97.365% * 94.2673% (0.34   3.60  45.83) =  99.963%  kept
          HG13  ILE  119 - HB2   PHE   95   7.52 +/- 1.12   2.275% *  1.3786% (0.90   0.02   0.02) =   0.034%
          HG2   LYS+ 121 - HB2   PHE   95  11.39 +/- 1.17   0.205% *  0.8703% (0.57   0.02   0.02) =   0.002%
          QB    ALA   20 - HB2   PHE   95  14.83 +/- 0.61   0.031% *  1.4190% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PHE   95  12.86 +/- 1.24   0.077% *  0.4274% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PHE   95  15.97 +/- 0.94   0.020% *  1.3334% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  15.93 +/- 1.13   0.026% *  0.3042% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 45.8:
        T HB    VAL  107 - HB2   PHE   95   2.49 +/- 0.47  99.916% * 99.6841% (0.80 10.00   4.31  45.83) = 100.000%  kept
          HB3   PHE   45 - HB2   PHE   95   9.14 +/- 0.75   0.062% *  0.0467% (0.38  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - HB2   PHE   95  11.23 +/- 1.60   0.018% *  0.0467% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  17.31 +/- 0.87   0.002% *  0.0855% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  19.84 +/- 0.89   0.001% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.90 +/- 0.84   0.001% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 5.5:
          QD1   ILE   89 - QG2   THR   94   1.85 +/- 0.11  99.918% * 97.3666% (0.92   0.75   5.50) =  99.998%  kept
          QG2   VAL   83 - QG2   THR   94   6.31 +/- 0.78   0.077% *  1.9321% (0.69   0.02   0.02) =   0.002%
          QD2   LEU   31 - QG2   THR   94   9.78 +/- 0.71   0.005% *  0.7014% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.07, residual support = 2.14:
        T HA    LYS+ 106 - HA    MET   96   3.26 +/- 0.37 100.000% *100.0000% (0.97 10.00   1.07   2.14) = 100.000%  kept
    Distance limit 3.27 A violated in 1 structures by 0.13 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 46.5:
      O   HN    PHE   97 - HA    MET   96   2.23 +/- 0.06  99.995% * 99.8692% (0.88  10.0   6.07  46.48) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  12.10 +/- 0.64   0.004% *  0.0999% (0.88   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  15.63 +/- 0.59   0.001% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.76 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 = 115.6:
      O   HN    MET   96 - HA    MET   96   2.91 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.57) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3048 (6.70, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.96, residual support = 9.7:
        T QE    PHE   45 - HB2   MET   96   3.73 +/- 0.88  98.280% * 98.2830% (0.49 10.00   1.96   9.70) =  99.990%  kept
        T HZ    PHE   72 - HB2   MET   96  11.76 +/- 1.70   0.475% *  1.5754% (0.76 10.00   0.02   0.02) =   0.008%
          QD    PHE   72 - HB2   MET   96   9.41 +/- 0.95   1.245% *  0.1416% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 3.73 A violated in 3 structures by 0.34 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 46.5:
          HN    PHE   97 - HB2   MET   96   3.92 +/- 0.27  99.895% * 99.4519% (0.92   6.07  46.48) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  14.55 +/- 0.61   0.041% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  13.61 +/- 0.75   0.062% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  27.05 +/- 2.39   0.001% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.07, residual support = 115.6:
      O   HN    MET   96 - HB2   MET   96   2.92 +/- 0.20 100.000% *100.0000% (0.65  10.0   4.07 115.57) = 100.000%  kept
    Distance limit 3.64 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 = 0.645, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  12.51 +/- 1.99  21.478% * 81.6578% (0.99   0.02   0.02) =  54.909%  kept
          QD    PHE   72 - HB3   MET   96   9.96 +/- 1.29  78.522% * 18.3422% (0.22   0.02   0.02) =  45.091%  kept
    Distance limit 3.58 A violated in 20 structures by 5.99 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 = 115.6:
      O   HN    MET   96 - HB3   MET   96   2.45 +/- 0.18 100.000% *100.0000% (0.65  10.0   3.97 115.57) = 100.000%  kept
    Distance limit 3.57 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   2.45 +/- 0.61  99.431% * 94.5898% (0.73   2.00  16.41) =  99.995%  kept
          QG1   VAL   41 - HB2   MET   96   6.95 +/- 0.61   0.387% *  0.6853% (0.53   0.02   0.02) =   0.003%
          QD2   LEU  104 - HB2   MET   96   8.86 +/- 0.97   0.106% *  1.0431% (0.80   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   MET   96  10.67 +/- 0.67   0.038% *  1.2768% (0.98   0.02   0.02) =   0.001%
          QG2   VAL   18 - HB2   MET   96  11.09 +/- 0.96   0.026% *  1.2025% (0.92   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   MET   96  13.12 +/- 1.07   0.011% *  1.2025% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.682, support = 1.49, residual support = 5.91:
          QD1   ILE   89 - HB2   MET   96   5.17 +/- 0.82  71.145% * 96.5403% (0.69   1.50   5.96) =  99.279%  kept
          QD2   LEU   31 - HB2   MET   96   6.86 +/- 0.87  19.201% *  1.7298% (0.92   0.02   0.02) =   0.480%
          QG2   VAL   83 - HB2   MET   96   7.26 +/- 0.58   9.654% *  1.7298% (0.92   0.02   0.02) =   0.241%
    Distance limit 3.83 A violated in 13 structures by 1.34 A, kept.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 1.5, residual support = 5.96:
        T QD1   ILE   89 - HB3   MET   96   3.91 +/- 0.84  94.184% * 99.9203% (0.69 10.00   1.50   5.96) =  99.995%  kept
          QG2   VAL   83 - HB3   MET   96   6.81 +/- 0.42   5.816% *  0.0797% (0.41  1.00   0.02   0.02) =   0.005%
    Distance limit 3.82 A violated in 3 structures by 0.34 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 46.5:
          HN    PHE   97 - HG2   MET   96   3.75 +/- 0.46  99.714% * 99.1286% (0.92   5.60  46.48) = 100.000%  kept
          HN    LEU  115 - HB2   PRO   52  12.14 +/- 2.16   0.201% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    LEU  115 - HG2   MET   96  14.94 +/- 0.85   0.030% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  14.14 +/- 0.83   0.043% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  18.63 +/- 2.19   0.010% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  28.82 +/- 2.27   0.001% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  36.66 +/- 2.06   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.34 +/- 1.86   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.03, residual support = 46.5:
          HN    PHE   97 - HG3   MET   96   3.34 +/- 0.53  99.968% * 99.5674% (0.54   6.03  46.48) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  14.06 +/- 0.92   0.025% *  0.3303% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.50 +/- 0.97   0.007% *  0.1024% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.396, support = 2.27, residual support = 7.28:
          HG13  ILE  103 - HG2   MET   96   3.94 +/- 2.46  84.156% * 34.4070% (0.25   2.55   8.56) =  80.150%  kept
          QG2   THR   94 - HG2   MET   96   5.74 +/- 0.57  11.683% * 61.2778% (0.99   1.14   2.10) =  19.817%  kept
          HD2   LYS+ 112 - HB2   PRO   52  10.45 +/- 2.56   2.867% *  0.2756% (0.25   0.02   0.02) =   0.022%
          HB3   LYS+ 112 - HB2   PRO   52  11.10 +/- 2.16   0.756% *  0.3114% (0.29   0.02   0.02) =   0.007%
          QG2   THR   94 - HB2   PRO   52  10.36 +/- 1.99   0.283% *  0.3149% (0.29   0.02   0.02) =   0.002%
          HB3   LEU   71 - HG2   MET   96  12.65 +/- 1.36   0.058% *  0.8659% (0.80   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB2   PRO   52  10.98 +/- 1.96   0.172% *  0.0490% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG2   MET   96  19.45 +/- 0.98   0.005% *  1.0600% (0.98   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  19.65 +/- 1.49   0.005% *  0.9381% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  16.95 +/- 1.25   0.011% *  0.1669% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  24.58 +/- 1.22   0.001% *  0.2544% (0.24   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  21.02 +/- 2.49   0.003% *  0.0792% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 1 structures by 0.15 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.708, support = 2.5, residual support = 8.52:
          QD1   ILE  103 - HG2   MET   96   3.80 +/- 2.13  76.916% * 20.8317% (0.49   1.94   8.56) =  55.834%  kept
          QG2   ILE  103 - HG2   MET   96   4.89 +/- 1.27  17.465% * 71.7603% (1.00   3.25   8.56) =  43.673%  kept
          QD2   LEU   40 - HG2   MET   96   7.76 +/- 0.75   2.570% *  5.2345% (0.95   0.25   0.02) =   0.469%
          HB    VAL   75 - HG2   MET   96  10.16 +/- 0.61   1.669% *  0.1660% (0.38   0.02   0.02) =   0.010%
          QD1   LEU   67 - HG2   MET   96  12.29 +/- 2.00   0.441% *  0.4268% (0.97   0.02   0.02) =   0.007%
          HG3   LYS+  74 - HG2   MET   96  14.75 +/- 0.77   0.246% *  0.4384% (0.99   0.02   0.02) =   0.004%
          QD2   LEU   71 - HG2   MET   96  12.56 +/- 0.93   0.249% *  0.2682% (0.61   0.02   0.02) =   0.002%
          QG2   ILE  119 - HG2   MET   96  13.09 +/- 1.14   0.137% *  0.1365% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB2   PRO   52  14.40 +/- 1.36   0.129% *  0.1288% (0.29   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   PRO   52  14.81 +/- 1.47   0.081% *  0.0401% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  18.63 +/- 1.94   0.019% *  0.1254% (0.28   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  17.81 +/- 1.98   0.017% *  0.1296% (0.29   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  15.97 +/- 1.64   0.033% *  0.0488% (0.11   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  19.97 +/- 1.63   0.009% *  0.1229% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  21.30 +/- 1.28   0.009% *  0.0788% (0.18   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  18.25 +/- 2.57   0.011% *  0.0632% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 2 structures by 0.41 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.256, support = 0.407, residual support = 0.556:
          HG    LEU   98 - HG3   MET   96   5.16 +/- 1.40  40.061% *  9.7205% (0.25   0.24   0.36) =  52.293%  kept
          QB    LEU   98 - HG3   MET   96   5.99 +/- 0.92  14.166% * 17.7544% (0.14   0.80   0.36) =  33.773%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.99 +/- 0.80  42.775% *  1.9894% (0.61   0.02   2.14) =  11.428%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.28 +/- 1.24   0.274% * 51.1928% (0.59   0.53   0.14) =   1.886%  kept
          HB3   PRO   93 - HG3   MET   96  12.36 +/- 0.72   0.212% *  7.2858% (0.34   0.13   0.02) =   0.208%
          HB    VAL   42 - HG3   MET   96   9.63 +/- 0.55   0.702% *  1.7882% (0.54   0.02   0.02) =   0.169%
          HB3   LEU   73 - HG3   MET   96  11.47 +/- 1.35   0.431% *  1.8861% (0.57   0.02   0.02) =   0.109%
          QB    ALA   84 - HG3   MET   96  10.44 +/- 0.78   0.588% *  1.0490% (0.32   0.02   0.02) =   0.083%
          HB3   ASP-  44 - HG3   MET   96  10.07 +/- 0.68   0.721% *  0.3946% (0.12   0.02   0.02) =   0.038%
          HG3   LYS+  33 - HG3   MET   96  16.77 +/- 0.98   0.027% *  1.6654% (0.51   0.02   0.02) =   0.006%
          HB2   LYS+ 112 - HG3   MET   96  18.70 +/- 0.85   0.015% *  1.9762% (0.60   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HG3   MET   96  20.10 +/- 1.24   0.010% *  1.7882% (0.54   0.02   0.02) =   0.002%
          QB    ALA  124 - HG3   MET   96  18.44 +/- 1.65   0.014% *  0.6154% (0.19   0.02   0.02) =   0.001%
          QB    ALA   12 - HG3   MET   96  24.08 +/- 2.03   0.004% *  0.8939% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 2 structures by 0.40 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 = 0.275, support = 2.03, residual support = 6.79:
          HG13  ILE  103 - HG3   MET   96   3.96 +/- 2.32  82.498% * 31.8258% (0.15  1.00   2.40   8.56) =  72.590%  kept
          QG2   THR   94 - HG3   MET   96   5.20 +/- 0.63  17.431% * 56.8710% (0.60  1.00   1.08   2.10) =  27.407%  kept
        T HD2   LYS+ 112 - HG3   MET   96  18.82 +/- 1.81   0.006% *  9.2414% (0.53 10.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   MET   96  13.22 +/- 1.40   0.046% *  0.8531% (0.49  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG3   MET   96  18.63 +/- 1.01   0.005% *  1.0443% (0.59  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  16.00 +/- 1.44   0.014% *  0.1644% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.466, support = 2.4, residual support = 8.56:
          QG2   ILE  103 - HG3   MET   96   4.55 +/- 1.37  30.357% * 70.8240% (0.61   2.67   8.56) =  55.020%  kept
          QD1   ILE  103 - HG3   MET   96   3.96 +/- 2.03  65.159% * 26.9457% (0.30   2.08   8.56) =  44.932%  kept
          QD2   LEU   40 - HG3   MET   96   7.97 +/- 0.85   2.436% *  0.5032% (0.57   0.02   0.02) =   0.031%
          QD1   LEU   67 - HG3   MET   96  12.30 +/- 2.28   0.535% *  0.5134% (0.59   0.02   0.02) =   0.007%
          HB    VAL   75 - HG3   MET   96  10.53 +/- 0.65   0.915% *  0.1996% (0.23   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HG3   MET   96  14.90 +/- 0.74   0.204% *  0.5272% (0.60   0.02   0.02) =   0.003%
          QD2   LEU   71 - HG3   MET   96  13.04 +/- 0.93   0.198% *  0.3226% (0.37   0.02   0.02) =   0.002%
          QG2   ILE  119 - HG3   MET   96  12.73 +/- 1.21   0.196% *  0.1642% (0.19   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 2 structures by 0.41 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 11.0:
      O   HN    LEU   98 - HA    PHE   97   2.21 +/- 0.05 100.000% *100.0000% (0.80  10.0   3.47  11.03) = 100.000%  kept
    Distance limit 2.68 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 = 4.74, residual support = 62.7:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  99.988% * 99.8692% (0.90  10.0   4.74  62.70) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  13.82 +/- 0.91   0.010% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.51 +/- 0.84   0.002% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.7:
      O T QD    PHE   97 - HB2   PHE   97   2.47 +/- 0.15  99.973% * 99.9164% (0.45  10.0 10.00   2.44  62.70) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  10.00 +/- 0.93   0.027% *  0.0836% (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 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.65, residual support = 56.7:
          HN    ASP- 105 - HB2   PHE   97   2.08 +/- 0.29  99.999% * 99.8964% (0.95   7.65  56.69) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  15.31 +/- 0.81   0.001% *  0.1036% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 4.85, residual support = 62.7:
      O   HN    PHE   97 - HB2   PHE   97   2.57 +/- 0.32  99.987% * 99.8692% (0.90  10.0   4.85  62.70) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  12.26 +/- 0.72   0.011% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  15.85 +/- 0.60   0.002% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.975, support = 3.54, residual support = 52.8:
        T HB3   ASP- 105 - HB2   PHE   97   3.25 +/- 0.64  81.455% * 66.5736% (0.99 10.00   3.75  56.69) =  91.589%  kept
        T QB    LYS+ 106 - HB2   PHE   97   4.79 +/- 0.60  15.118% * 32.9348% (0.80 10.00   1.22  10.18) =   8.409%  kept
          HB    ILE  103 - HB2   PHE   97   7.03 +/- 0.41   1.026% *  0.0672% (1.00  1.00   0.02   1.15) =   0.001%
          HG12  ILE  103 - HB2   PHE   97   6.33 +/- 0.85   2.321% *  0.0133% (0.20  1.00   0.02   1.15) =   0.001%
          HG3   PRO   68 - HB2   PHE   97  15.68 +/- 2.16   0.015% *  0.0670% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  13.77 +/- 1.37   0.024% *  0.0276% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  15.45 +/- 0.60   0.009% *  0.0635% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  15.25 +/- 1.23   0.012% *  0.0252% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  14.84 +/- 1.10   0.013% *  0.0167% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  18.28 +/- 0.74   0.003% *  0.0602% (0.90  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  19.85 +/- 0.72   0.002% *  0.0561% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.67 +/- 1.11   0.001% *  0.0670% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  20.17 +/- 1.06   0.002% *  0.0276% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.308, support = 4.56, residual support = 17.2:
        T HB2   LEU  104 - HB2   PHE   97   3.30 +/- 0.52  65.177% * 84.0250% (0.31 10.00   4.67  17.96) =  95.365%  kept
          QG2   ILE  103 - HB2   PHE   97   4.23 +/- 0.45  18.990% *  9.8202% (0.25  1.00   2.89   1.15) =   3.247%  kept
          QD2   LEU   40 - HB2   PHE   97   4.72 +/- 0.98  14.362% *  5.5377% (0.38  1.00   1.08   0.84) =   1.385%  kept
          QD1   ILE  119 - HB2   PHE   97   9.08 +/- 1.66   0.387% *  0.1651% (0.61  1.00   0.02   0.75) =   0.001%
          QD1   LEU   67 - HB2   PHE   97   8.97 +/- 2.94   0.665% *  0.0929% (0.34  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB2   PHE   97   8.13 +/- 0.55   0.398% *  0.0539% (0.20  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PHE   97  13.89 +/- 1.01   0.015% *  0.2575% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  16.23 +/- 0.72   0.005% *  0.0477% (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 = 0.329, support = 1.74, residual support = 7.42:
        T QD2   LEU   40 - HB3   PHE   97   3.80 +/- 0.83  32.874% * 65.7401% (0.36 10.00   0.75   0.84) =  59.827%  kept
          HB2   LEU  104 - HB3   PHE   97   3.28 +/- 1.02  58.427% * 23.7179% (0.29  1.00   3.29  17.96) =  38.362%  kept
          QG2   ILE  103 - HB3   PHE   97   4.92 +/- 0.82   6.863% *  9.4833% (0.24  1.00   1.63   1.15) =   1.802%  kept
          QD1   LEU   67 - HB3   PHE   97   8.16 +/- 2.88   1.125% *  0.1593% (0.32  1.00   0.02   0.02) =   0.005%
          QD1   ILE  119 - HB3   PHE   97   9.06 +/- 1.89   0.467% *  0.2833% (0.57  1.00   0.02   0.75) =   0.004%
          QG2   VAL  108 - HB3   PHE   97   9.10 +/- 0.72   0.225% *  0.0924% (0.19  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB3   PHE   97  13.94 +/- 1.06   0.014% *  0.4419% (0.89  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  16.06 +/- 1.03   0.006% *  0.0818% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.7:
      O T QD    PHE   97 - HB3   PHE   97   2.52 +/- 0.19  99.973% * 99.8821% (0.87  10.0 10.00   2.74  62.70) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  10.45 +/- 1.05   0.027% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  24.83 +/- 1.67   0.000% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.49, residual support = 56.7:
          HN    ASP- 105 - HB3   PHE   97   3.02 +/- 0.62  99.990% * 99.0778% (0.46   5.49  56.69) = 100.000%  kept
          HN    ALA   88 - HB3   PHE   97  16.07 +/- 0.85   0.008% *  0.6437% (0.82   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   PHE   97  19.89 +/- 1.09   0.002% *  0.2785% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.2, residual support = 62.7:
      O   HN    PHE   97 - HB3   PHE   97   3.40 +/- 0.42  99.955% * 99.8692% (0.85  10.0   5.20  62.70) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  12.98 +/- 1.02   0.037% *  0.0999% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.60 +/- 0.96   0.008% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.732, support = 2.21, residual support = 54.6:
          HB3   ASP- 105 - HB3   PHE   97   4.02 +/- 0.80  83.230% * 70.0462% (0.72  1.00   2.28  56.69) =  95.447%  kept
          QB    LYS+ 106 - HB3   PHE   97   5.90 +/- 0.81  12.361% * 22.2988% (0.93  1.00   0.57  10.18) =   4.513%  kept
          HB    ILE  103 - HB3   PHE   97   7.56 +/- 0.87   4.020% *  0.5514% (0.65  1.00   0.02   1.15) =   0.036%
          HG3   PRO   68 - HB3   PHE   97  14.66 +/- 2.20   0.102% *  0.5193% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB3   PHE   97  13.85 +/- 0.98   0.077% *  0.5829% (0.69  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB3   PHE   97  14.67 +/- 0.86   0.054% *  0.6963% (0.82  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HB3   PHE   97  14.00 +/- 1.07   0.070% *  0.4223% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   PHE   97  15.63 +/- 1.51   0.036% *  0.6963% (0.82  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB3   PHE   97  18.39 +/- 1.32   0.013% *  1.7870% (0.21 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  19.08 +/- 0.81   0.010% *  0.7410% (0.87  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  20.25 +/- 0.69   0.007% *  0.7746% (0.91  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  17.55 +/- 1.22   0.015% *  0.3013% (0.36  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  21.97 +/- 1.51   0.004% *  0.5829% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 1 structures by 0.29 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.326, support = 3.08, residual support = 24.9:
          HG12  ILE  103 - HA    LEU   98   4.02 +/- 1.09  60.366% * 46.4771% (0.25   3.75  26.16) =  73.346%  kept
          HB    VAL   41 - HA    LEU   98   4.77 +/- 1.01  26.723% * 27.9778% (0.38   1.50  28.75) =  19.545%  kept
          QB    LYS+ 102 - HA    LEU   98   5.29 +/- 0.57  12.597% * 21.5637% (0.98   0.44   1.82) =   7.101%  kept
          HB2   LEU   71 - HA    LEU   98  10.08 +/- 1.24   0.270% *  0.9917% (1.00   0.02   0.02) =   0.007%
          QB    LYS+  66 - HA    LEU   98  14.64 +/- 1.59   0.027% *  0.5627% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  17.62 +/- 1.06   0.008% *  0.9939% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  18.36 +/- 0.71   0.005% *  0.8302% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  19.94 +/- 1.12   0.004% *  0.6029% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.72, support = 2.94, residual support = 25.9:
          HA    ILE  103 - HA    LEU   98   2.41 +/- 1.12  94.645% * 76.2446% (0.73   2.96  26.16) =  98.632%  kept
          HA    LEU  104 - HA    LEU   98   5.07 +/- 0.47   5.217% * 19.1786% (0.28   1.94   8.33) =   1.367%  kept
          HA    ASP-  44 - HA    LEU   98  11.48 +/- 0.67   0.073% *  0.6369% (0.90   0.02   0.02) =   0.001%
          HA    THR   39 - HA    LEU   98  10.38 +/- 0.35   0.056% *  0.1974% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  15.36 +/- 1.24   0.003% *  0.5157% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  18.04 +/- 1.09   0.002% *  0.5932% (0.84   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  19.99 +/- 1.07   0.001% *  0.5932% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  22.40 +/- 1.52   0.001% *  0.4594% (0.65   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  28.05 +/- 3.08   0.001% *  0.6555% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  26.85 +/- 2.25   0.000% *  0.5427% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  22.99 +/- 0.75   0.000% *  0.2422% (0.34   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  26.79 +/- 0.81   0.000% *  0.1405% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 1 structures by 0.07 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 5.12:
          HN    ASP- 105 - HA    LEU   98   4.89 +/- 0.65  99.842% * 99.7774% (0.95   3.56   5.12) = 100.000%  kept
          HN    ALA   88 - HA    LEU   98  15.47 +/- 1.05   0.158% *  0.2226% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 10 structures by 1.03 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.17, residual support = 17.0:
      O   HN    LYS+  99 - HA    LEU   98   2.32 +/- 0.08  99.943% * 99.7964% (0.80  10.0   4.17  17.04) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98  10.64 +/- 2.57   0.049% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  11.40 +/- 0.61   0.008% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  21.97 +/- 1.86   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 = 3.67, residual support = 8.33:
          HN    LEU  104 - HA    LEU   98   3.10 +/- 1.08  99.460% * 99.6429% (0.92   3.67   8.33) =  99.998%  kept
          HN    PHE   72 - HA    LEU   98  12.75 +/- 1.04   0.540% *  0.3571% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.34 A violated in 2 structures by 0.27 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.21, residual support = 82.0:
      O   HN    LEU   98 - HA    LEU   98   2.93 +/- 0.02 100.000% *100.0000% (0.98  10.0   5.21  81.96) = 100.000%  kept
    Distance limit 3.53 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 = 0.432, support = 3.55, residual support = 28.6:
        T HB    VAL   41 - QB    LEU   98   2.55 +/- 1.12  71.540% * 75.6597% (0.42 10.00   3.60  28.75) =  93.175%  kept
          HG12  ILE  103 - QB    LEU   98   3.49 +/- 1.00  23.222% * 15.6483% (0.56  1.00   3.11  26.16) =   6.255%  kept
          HB    ILE  103 - QB    LEU   98   5.00 +/- 0.72   4.926% *  6.7043% (0.60  1.00   1.26  26.16) =   0.568%  kept
        T QB    LYS+ 106 - QB    LEU   98   7.43 +/- 0.63   0.127% *  0.4798% (0.27 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - QB    LEU   98  10.09 +/- 0.69   0.018% *  0.7566% (0.42 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QB    LEU   98   8.39 +/- 0.76   0.139% *  0.0943% (0.53  1.00   0.02   5.12) =   0.000%
          QB    LYS+  66 - QB    LEU   98  13.75 +/- 1.50   0.019% *  0.0480% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QB    LEU   98  15.60 +/- 1.49   0.005% *  0.1129% (0.63  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  16.75 +/- 1.84   0.003% *  0.1394% (0.78  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  16.92 +/- 0.99   0.001% *  0.0530% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  17.53 +/- 1.09   0.001% *  0.0639% (0.36  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  21.68 +/- 0.91   0.000% *  0.1394% (0.78  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  22.73 +/- 1.50   0.000% *  0.1006% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.79, residual support = 17.0:
          HN    LYS+  99 - QB    LEU   98   2.89 +/- 0.23  99.621% * 97.3144% (0.27   3.79  17.04) =  99.996%  kept
          HN    ASN   35 - QB    LEU   98   8.51 +/- 0.85   0.200% *  1.3897% (0.72   0.02   0.02) =   0.003%
          HE1   HIS  122 - QB    LEU   98  10.61 +/- 2.46   0.177% *  0.4149% (0.22   0.02   0.02) =   0.001%
          HN    GLU-  14 - QB    LEU   98  18.70 +/- 1.56   0.002% *  0.2567% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  22.95 +/- 2.45   0.001% *  0.6244% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 28.7:
          HN    VAL   41 - QB    LEU   98   3.60 +/- 0.42 100.000% *100.0000% (0.85   2.96  28.75) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.15, residual support = 82.0:
      O   HN    LEU   98 - QB    LEU   98   2.86 +/- 0.18 100.000% *100.0000% (0.85  10.0   5.15  81.96) = 100.000%  kept
    Distance limit 3.25 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 = 82.0:
      O   HA    LEU   98 - HG    LEU   98   3.35 +/- 0.47 100.000% *100.0000% (0.69  10.0   4.04  81.96) = 100.000%  kept
    Distance limit 3.93 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 = 4.04, residual support = 82.0:
          HN    LEU   98 - HG    LEU   98   3.10 +/- 0.67 100.000% *100.0000% (0.98   4.04  81.96) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.293, support = 4.09, residual support = 24.7:
        T HA    ILE  103 - QD1   LEU   98   2.72 +/- 0.51  96.578% * 26.2197% (0.25 10.00   4.30  26.16) =  91.599%  kept
        T HA    LEU  104 - QD1   LEU   98   6.13 +/- 0.83   3.168% * 73.3042% (0.76 10.00   1.82   8.33) =   8.401%  kept
          HA    ASP-  86 - QD1   LEU   98  10.25 +/- 1.95   0.077% *  0.1049% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QD1   LEU   98   8.66 +/- 1.11   0.149% *  0.0432% (0.41  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  12.60 +/- 1.66   0.018% *  0.0359% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  14.65 +/- 1.28   0.007% *  0.0359% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  19.16 +/- 1.58   0.002% *  0.1049% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  22.93 +/- 2.07   0.001% *  0.1042% (0.99  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  24.01 +/- 2.61   0.000% *  0.0471% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.779, support = 0.0199, residual support = 0.0199:
          HD1   TRP   27 - QD1   LEU   98   9.41 +/- 1.90  59.426% * 33.8723% (0.84   0.02   0.02) =  66.273%  kept
          QD    PHE   59 - QD1   LEU   98  12.27 +/- 1.85  16.158% * 33.8723% (0.84   0.02   0.02) =  18.019%  kept
          HE21  GLN   30 - QD1   LEU   98  10.91 +/- 1.43  23.741% * 19.7390% (0.49   0.02   0.02) =  15.429%  kept
          HH2   TRP   49 - QD1   LEU   98  19.68 +/- 1.89   0.675% * 12.5164% (0.31   0.02   0.02) =   0.278%
    Distance limit 3.49 A violated in 20 structures by 4.74 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 = 16.9:
        T QD1   LEU  104 - HB2   LYS+  99   2.30 +/- 0.47  99.954% * 98.4796% (0.69 10.00   2.96  16.92) = 100.000%  kept
        T QD1   LEU   63 - HB2   LYS+  99  11.83 +/- 1.59   0.023% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LYS+  99  11.85 +/- 0.99   0.015% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB2   LYS+  99  16.36 +/- 0.67   0.002% *  0.8117% (0.57 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  15.47 +/- 0.77   0.002% *  0.1430% (1.00  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  14.96 +/- 1.55   0.002% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  17.57 +/- 1.27   0.001% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.45, residual support = 12.2:
        T QD2   LEU   40 - HB2   LYS+  99   3.34 +/- 0.93  95.139% * 96.6993% (0.95 10.00   2.45  12.23) =  99.916%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.86 +/- 0.36   2.603% *  2.9190% (1.00  1.00   0.57   0.02) =   0.083%
          QD1   ILE  103 - HB2   LYS+  99   8.10 +/- 0.72   1.710% *  0.0498% (0.49  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB2   LYS+  99  10.10 +/- 2.68   0.351% *  0.0987% (0.97  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  99  11.51 +/- 1.09   0.123% *  0.0620% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  12.87 +/- 1.49   0.062% *  0.0316% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  20.81 +/- 1.24   0.003% *  0.1013% (0.99  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  18.04 +/- 0.90   0.008% *  0.0384% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 1 structures by 0.25 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.78, residual support = 171.8:
      O   HN    LYS+  99 - HB2   LYS+  99   2.88 +/- 0.25  99.770% * 99.4797% (0.31  10.0   4.78 171.80) = 100.000%  kept
          HE1   HIS  122 - HB2   LYS+  99  10.32 +/- 2.42   0.200% *  0.0804% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   LYS+  99  11.45 +/- 0.63   0.028% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  21.71 +/- 2.03   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  26.14 +/- 2.87   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 5.19, residual support = 171.8:
      O   HN    LYS+  99 - HA    LYS+  99   2.92 +/- 0.02  99.672% * 99.7964% (0.80  10.0   5.19 171.80) = 100.000%  kept
          HE1   HIS  122 - HA    LYS+  99  10.47 +/- 2.38   0.185% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LYS+  99   9.01 +/- 1.08   0.141% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  19.56 +/- 1.90   0.001% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 39.4:
      O   HN    GLU- 100 - HA    LYS+  99   2.20 +/- 0.05 100.000% *100.0000% (0.84  10.0   6.83  39.37) = 100.000%  kept
    Distance limit 2.90 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 = 0.838, support = 5.07, residual support = 181.5:
      O   QE    LYS+  99 - HG2   LYS+  99   2.48 +/- 0.50  49.508% * 79.1619% (0.99  10.0   5.20 171.80) =  79.153%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.47 +/- 0.50  50.129% * 20.5905% (0.26  10.0   4.58 218.54) =  20.846%  kept
          QE    LYS+  38 - HG2   LYS+  99   8.02 +/- 1.11   0.142% *  0.0756% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  99   8.92 +/- 1.47   0.078% *  0.0610% (0.76   1.0   0.02   1.51) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   8.21 +/- 1.50   0.101% *  0.0216% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.23 +/- 0.61   0.027% *  0.0272% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  12.61 +/- 2.16   0.012% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  17.45 +/- 0.52   0.001% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.21 +/- 1.12   0.001% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  18.54 +/- 0.47   0.000% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.835, support = 7.05, residual support = 171.8:
      O T HA    LYS+  99 - HG2   LYS+  99   2.63 +/- 0.33  81.369% * 98.9579% (0.84  10.0 10.00   7.05 171.80) =  99.989%  kept
          HA    LEU   40 - HG2   LYS+  99   4.09 +/- 0.84   6.992% *  0.0671% (0.57   1.0  1.00   0.02  12.23) =   0.006%
          HA    ASN   35 - HG2   LYS+  38   4.12 +/- 0.81  11.310% *  0.0305% (0.26   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  99 - HG2   LYS+  38   8.75 +/- 1.30   0.104% *  0.2697% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   LYS+  99   8.24 +/- 0.79   0.114% *  0.1121% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.32 +/- 0.30   0.101% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  15.38 +/- 2.78   0.004% *  0.1182% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  17.49 +/- 1.18   0.001% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  21.13 +/- 3.55   0.001% *  0.0322% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  17.21 +/- 1.86   0.002% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  24.20 +/- 2.04   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  21.30 +/- 2.13   0.000% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  18.93 +/- 2.79   0.001% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.46 +/- 0.91   0.000% *  0.0577% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  23.04 +/- 1.17   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  29.87 +/- 1.75   0.000% *  0.0312% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  27.69 +/- 1.06   0.000% *  0.0133% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  30.56 +/- 1.36   0.000% *  0.0157% (0.13   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 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.153, support = 4.65, residual support = 11.3:
          HA    SER   37 - HA    LYS+  38   5.17 +/- 0.02  47.056% * 40.2775% (0.05  1.00   5.57  13.65) =  83.072%  kept
          HA    LEU   40 - HA    GLU- 100   5.70 +/- 0.92  32.664% *  9.8935% (0.80  1.00   0.08   0.02) =  14.164%  kept
          HA    LEU   40 - HA    LYS+  38   6.08 +/- 0.04  17.769% *  3.3236% (0.05  1.00   0.44   0.02) =   2.588%  kept
          HA    SER   37 - HA    GLU- 100   9.65 +/- 1.39   1.376% *  2.3941% (0.76  1.00   0.02   0.02) =   0.144%
          HA    VAL   42 - HA    GLU- 100  10.76 +/- 0.66   0.570% *  0.6975% (0.22  1.00   0.02   0.02) =   0.017%
        T HA    PRO   58 - HA    GLU- 100  25.34 +/- 1.16   0.003% * 28.9187% (0.92 10.00   0.02   0.02) =   0.004%
          HA    GLU-  15 - HA    GLU- 100  18.14 +/- 1.93   0.027% *  2.9634% (0.95  1.00   0.02   0.02) =   0.004%
          HA    GLN   17 - HA    GLU- 100  19.98 +/- 1.68   0.014% *  2.3941% (0.76  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HA    GLU- 100  21.43 +/- 2.46   0.011% *  2.9634% (0.95  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HA    GLU- 100  19.47 +/- 2.68   0.025% *  0.6200% (0.20  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HA    GLU- 100  23.63 +/- 0.63   0.005% *  2.6167% (0.84  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HA    LYS+  38  15.64 +/- 1.60   0.074% *  0.1791% (0.06  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HA    LYS+  38  12.09 +/- 0.18   0.293% *  0.0421% (0.01  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HA    LYS+  38  18.03 +/- 2.48   0.040% *  0.1791% (0.06  1.00   0.02   0.02) =   0.000%
        T HA    PRO   58 - HA    LYS+  38  25.53 +/- 0.96   0.003% *  1.7474% (0.06 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HA    LYS+  38  18.51 +/- 1.50   0.025% *  0.1447% (0.05  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HA    LYS+  38  19.64 +/- 3.40   0.036% *  0.0375% (0.01  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    GLU- 100  26.53 +/- 1.94   0.003% *  0.4240% (0.14  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HA    LYS+  38  25.01 +/- 0.30   0.004% *  0.1581% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    LYS+  38  27.64 +/- 1.76   0.002% *  0.0256% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 14 structures by 1.00 A, kept.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   2.90 +/- 0.39  98.943% * 99.9940% (1.00  10.0   3.86  14.94) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38   7.19 +/- 1.19   1.057% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 75.5:
      O   HN    GLU- 100 - HA    GLU- 100   2.29 +/- 0.13  98.059% * 99.9940% (0.84  10.0   6.39  75.53) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   5.05 +/- 1.38   1.941% *  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 = 0.76, support = 0.0199, residual support = 0.0199:
        T HA    LYS+  33 - HB2   GLU- 100  12.20 +/- 0.84  13.161% * 28.3278% (1.00 10.00   0.02   0.02) =  50.026%  kept
        T HA    GLN   32 - HB2   GLU- 100  11.10 +/- 0.90  24.272% *  8.7627% (0.31 10.00   0.02   0.02) =  28.539%  kept
        T HA    GLU-  29 - HB2   GLU- 100  15.93 +/- 0.80   2.701% * 27.8286% (0.98 10.00   0.02   0.02) =  10.084%  kept
          HA    VAL   70 - HB2   GLU- 100  11.43 +/- 1.33  22.349% *  2.3714% (0.84  1.00   0.02   0.02) =   7.111%  kept
          HB2   SER   37 - HB2   GLU- 100  10.34 +/- 0.95  35.802% *  0.5618% (0.20  1.00   0.02   0.02) =   2.699%  kept
        T HA    GLN  116 - HB2   GLU- 100  22.64 +/- 1.76   0.353% * 23.7140% (0.84 10.00   0.02   0.02) =   1.123%  kept
          HA    VAL   18 - HB2   GLU- 100  19.42 +/- 1.20   0.828% *  2.7399% (0.97  1.00   0.02   0.02) =   0.304%
          HB2   SER   82 - HB2   GLU- 100  25.06 +/- 1.18   0.189% *  2.6208% (0.92  1.00   0.02   0.02) =   0.066%
          HA    ALA   88 - HB2   GLU- 100  24.02 +/- 1.08   0.248% *  0.9684% (0.34  1.00   0.02   0.02) =   0.032%
          HA    SER   48 - HB2   GLU- 100  30.95 +/- 1.04   0.052% *  1.6074% (0.57  1.00   0.02   0.02) =   0.011%
          HD2   PRO   52 - HB2   GLU- 100  31.52 +/- 0.91   0.045% *  0.4972% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 3.33 A violated in 20 structures by 5.33 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.449, support = 5.25, residual support = 39.1:
          HG2   LYS+  99 - HG2   GLU- 100   4.42 +/- 0.94  44.744% * 97.4968% (0.45   5.28  39.37) =  99.413%  kept
          HG2   LYS+  38 - HG2   GLU- 100   4.36 +/- 1.75  55.171% *  0.4664% (0.57   0.02   0.02) =   0.586%  kept
          HB2   LEU   31 - HG2   GLU- 100  10.92 +/- 1.15   0.080% *  0.1443% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  20.23 +/- 0.93   0.002% *  0.7388% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  20.95 +/- 1.00   0.002% *  0.8074% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  19.89 +/- 1.28   0.002% *  0.1630% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  27.70 +/- 2.05   0.000% *  0.1834% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.451, support = 3.98, residual support = 38.4:
          HG2   LYS+  99 - HG3   GLU- 100   3.43 +/- 1.36  75.495% * 90.5956% (0.45   4.07  39.37) =  97.583%  kept
          HG2   LYS+  38 - HG3   GLU- 100   5.51 +/- 1.64  24.378% *  6.9494% (0.57   0.25   0.02) =   2.417%  kept
          HB2   LEU   31 - HG3   GLU- 100  11.05 +/- 1.35   0.121% *  0.1739% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  19.63 +/- 0.98   0.002% *  0.8904% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  20.45 +/- 0.88   0.001% *  0.9732% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  19.90 +/- 1.35   0.002% *  0.1965% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  26.68 +/- 2.11   0.000% *  0.2210% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 75.5:
      O   HA    GLU- 100 - HG3   GLU- 100   2.80 +/- 0.53  87.047% * 99.7364% (1.00  10.0   4.46  75.53) =  99.997%  kept
          HA    LYS+  38 - HG3   GLU- 100   4.32 +/- 1.28  12.951% *  0.0198% (0.20   1.0   0.02   0.02) =   0.003%
          HA    VAL   83 - HG3   GLU- 100  20.31 +/- 1.07   0.001% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  27.09 +/- 1.77   0.000% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.83 +/- 1.44   0.000% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 4.3, residual support = 75.5:
          HN    GLU- 100 - HG3   GLU- 100   2.82 +/- 0.66 100.000% *100.0000% (0.97   4.30  75.53) = 100.000%  kept
    Distance limit 3.97 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 = 6.46, residual support = 75.5:
          HN    GLU- 100 - HG2   GLU- 100   3.42 +/- 0.79 100.000% *100.0000% (0.84   6.46  75.53) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 159.1:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.57 +/- 0.12  99.447% * 99.6342% (1.00  10.0   4.64 159.14) = 100.000%  kept
          HN    LYS+ 102 - HB    VAL   41   7.48 +/- 1.40   0.394% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB    VAL   41   8.38 +/- 0.57   0.095% *  0.0272% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    VAL   41  10.20 +/- 0.76   0.029% *  0.0433% (0.43   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  11.93 +/- 1.55   0.013% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  13.44 +/- 1.31   0.006% *  0.0964% (0.97   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  11.95 +/- 0.90   0.013% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  14.64 +/- 1.32   0.004% *  0.0646% (0.65   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 = 5.44, residual support = 22.4:
          HN    ILE  103 - QB    LYS+ 102   3.02 +/- 0.48  99.559% * 98.9437% (1.00   5.44  22.38) =  99.999%  kept
          HN    ILE  103 - HB    VAL   41   8.18 +/- 1.27   0.424% *  0.1634% (0.45   0.02   0.02) =   0.001%
          HN    GLN   90 - QB    LYS+ 102  18.81 +/- 1.22   0.002% *  0.3439% (0.95   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  17.07 +/- 0.86   0.005% *  0.1545% (0.43   0.02   0.02) =   0.000%
          HN    GLY  109 - QB    LYS+ 102  17.86 +/- 1.01   0.003% *  0.1913% (0.53   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  17.88 +/- 0.92   0.003% *  0.0859% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  17.95 +/- 0.95   0.004% *  0.0364% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  20.77 +/- 1.40   0.001% *  0.0809% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.42, residual support = 159.1:
          HN    LYS+ 102 - HG2   LYS+ 102   3.78 +/- 0.35  98.872% * 99.2116% (0.73   4.42 159.14) =  99.997%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.46 +/- 1.38   1.015% *  0.2322% (0.38   0.02   0.02) =   0.002%
          HN    GLU-  36 - HG2   LYS+ 102  15.01 +/- 1.89   0.032% *  0.3255% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  13.60 +/- 1.76   0.066% *  0.1083% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  16.95 +/- 1.58   0.015% *  0.1224% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.601, support = 0.0199, residual support = 0.0199:
        T QB    SER  117 - HA    ILE  103  13.55 +/- 0.97  12.347% *  7.5887% (0.34 10.00   0.02   0.02) =  32.505%  kept
        T QB    SER   85 - HA    ILE  103  16.81 +/- 1.74   3.828% * 19.9520% (0.90 10.00   0.02   0.02) =  26.495%  kept
          HA    LYS+ 121 - HA    ILE  103  12.90 +/- 1.68  18.210% *  1.5282% (0.69  1.00   0.02   0.02) =   9.654%  kept
          HB    THR   94 - HA    ILE  103  13.40 +/- 1.27  15.383% *  1.7002% (0.76  1.00   0.02   0.02) =   9.073%  kept
          HA2   GLY   16 - HA    THR   39  12.79 +/- 2.24  22.180% *  0.6592% (0.30  1.00   0.02   0.02) =   5.072%  kept
        T QB    SER   48 - HA    ILE  103  22.88 +/- 0.99   0.583% * 19.2979% (0.87 10.00   0.02   0.02) =   3.900%  kept
          HA    ALA  120 - HA    ILE  103  16.17 +/- 1.70   4.173% *  2.2050% (0.99  1.00   0.02   0.02) =   3.192%  kept
          HA    LYS+  65 - HA    THR   39  14.83 +/- 1.15   7.413% *  0.6139% (0.28  1.00   0.02   0.02) =   1.579%  kept
        T QB    SER  117 - HA    THR   39  19.18 +/- 1.33   1.602% *  2.5072% (0.11 10.00   0.02   0.02) =   1.393%  kept
          HA    LYS+ 121 - HA    THR   39  16.26 +/- 2.34   5.773% *  0.5049% (0.23  1.00   0.02   0.02) =   1.011%  kept
        T QB    SER   85 - HA    THR   39  23.59 +/- 0.58   0.440% *  6.5917% (0.30 10.00   0.02   0.02) =   1.007%  kept
        T HA2   GLY   51 - HA    ILE  103  26.93 +/- 0.82   0.204% * 13.4936% (0.61 10.00   0.02   0.02) =   0.956%  kept
          HA    ALA  120 - HA    THR   39  17.65 +/- 2.76   3.777% *  0.7285% (0.33  1.00   0.02   0.02) =   0.954%  kept
          HA    LYS+  65 - HA    ILE  103  19.99 +/- 1.49   1.260% *  1.8582% (0.84  1.00   0.02   0.02) =   0.812%  kept
        T HD2   PRO   52 - HA    ILE  103  24.14 +/- 1.37   0.414% *  5.5474% (0.25 10.00   0.02   0.02) =   0.796%  kept
          HA2   GLY   16 - HA    ILE  103  20.79 +/- 1.84   0.954% *  1.9952% (0.90  1.00   0.02   0.02) =   0.661%  kept
        T QB    SER   48 - HA    THR   39  26.22 +/- 0.69   0.240% *  6.3756% (0.29 10.00   0.02   0.02) =   0.532%  kept
          HB    THR   94 - HA    THR   39  20.62 +/- 0.46   1.011% *  0.5617% (0.25  1.00   0.02   0.02) =   0.197%
        T HA2   GLY   51 - HA    THR   39  31.04 +/- 1.15   0.085% *  4.4580% (0.20 10.00   0.02   0.02) =   0.132%
        T HD2   PRO   52 - HA    THR   39  29.25 +/- 0.99   0.122% *  1.8327% (0.08 10.00   0.02   0.02) =   0.078%
    Distance limit 3.07 A violated in 20 structures by 6.38 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 = 36.5:
      O   HN    LEU  104 - HA    ILE  103   2.31 +/- 0.14  99.968% * 99.8797% (0.92  10.0   6.01  36.49) = 100.000%  kept
          HN    PHE   72 - HA    THR   39   9.45 +/- 0.74   0.026% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  12.53 +/- 0.89   0.004% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.58 +/- 0.81   0.002% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.332, support = 3.69, residual support = 37.0:
      O   HN    THR   39 - HA    THR   39   2.86 +/- 0.01  96.190% * 72.5708% (0.33  10.0   3.69  37.19) =  98.684%  kept
          HN    LYS+ 102 - HA    ILE  103   4.99 +/- 0.22   3.528% * 26.3743% (0.65   1.0   3.68  22.38) =   1.315%  kept
          HN    GLU-  36 - HA    THR   39   8.02 +/- 0.16   0.199% *  0.0612% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.75 +/- 1.81   0.016% *  0.2211% (1.00   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  13.12 +/- 0.74   0.011% *  0.2197% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.83 +/- 1.32   0.043% *  0.0474% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.29 +/- 1.13   0.004% *  0.1851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.26 +/- 1.64   0.002% *  0.1079% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.79 +/- 0.43   0.002% *  0.0356% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  18.11 +/- 1.64   0.002% *  0.0439% (0.20   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  19.90 +/- 0.58   0.001% *  0.0731% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.79 +/- 0.86   0.001% *  0.0342% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  18.61 +/- 0.99   0.001% *  0.0113% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.19 +/- 0.68   0.000% *  0.0145% (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 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.3, residual support = 26.2:
        T QD1   LEU   98 - HA    ILE  103   2.72 +/- 0.51  99.913% * 99.6453% (0.41 10.00   4.30  26.16) = 100.000%  kept
          QG2   ILE   19 - HA    THR   39  11.71 +/- 0.77   0.024% *  0.0799% (0.33  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    THR   39  10.30 +/- 0.60   0.058% *  0.0329% (0.14  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  15.28 +/- 0.84   0.005% *  0.2418% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.397, support = 2.23, residual support = 3.78:
          HN    ASP- 105 - QG2   ILE  103   3.24 +/- 0.40  97.665% * 24.7934% (0.38   2.15   2.54) =  93.756%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.34 +/- 0.14   2.160% * 74.6549% (0.73   3.35  22.38) =   6.243%  kept
          HD1   TRP   87 - QG2   ILE  103  10.32 +/- 1.34   0.142% *  0.1214% (0.20   0.02   0.02) =   0.001%
          HN    GLU-  36 - QG2   ILE  103  15.32 +/- 0.61   0.010% *  0.3228% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  13.46 +/- 0.41   0.023% *  0.1075% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.63, residual support = 36.5:
          HN    LEU  104 - QG2   ILE  103   2.44 +/- 0.47  99.995% * 99.9412% (0.90   6.63  36.49) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.67 +/- 0.89   0.005% *  0.0588% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.72, residual support = 138.1:
      O   HN    ILE  103 - HB    ILE  103   2.10 +/- 0.06  99.999% * 99.8308% (1.00  10.0   6.72 138.15) = 100.000%  kept
          HN    GLN   90 - HB    ILE  103  16.50 +/- 1.59   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  15.33 +/- 1.10   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  20.03 +/- 1.86   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.2, support = 5.98, residual support = 138.1:
      O T HA    ILE  103 - HG12  ILE  103   2.38 +/- 0.34  99.637% * 97.9216% (0.20  10.0 10.00   5.98 138.15) =  99.999%  kept
          HA    LEU  104 - HG12  ILE  103   6.41 +/- 0.19   0.341% *  0.3001% (0.61   1.0  1.00   0.02  36.49) =   0.001%
          HA    ASP-  86 - HG12  ILE  103  12.88 +/- 2.87   0.010% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG12  ILE  103  11.54 +/- 1.16   0.009% *  0.1614% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  15.57 +/- 2.53   0.003% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  18.52 +/- 1.62   0.001% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  24.72 +/- 1.96   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  29.25 +/- 2.68   0.000% *  0.3892% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  30.55 +/- 3.37   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 = 138.1:
          HN    ILE  103 - HG12  ILE  103   3.06 +/- 0.31  99.980% * 99.5125% (0.80   6.92 138.15) = 100.000%  kept
          HN    GLN   90 - HG12  ILE  103  15.53 +/- 2.03   0.008% *  0.2721% (0.76   0.02   0.02) =   0.000%
          HN    GLY  109 - HG12  ILE  103  15.11 +/- 1.09   0.009% *  0.1513% (0.42   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  18.49 +/- 2.47   0.003% *  0.0640% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.31, residual support = 138.1:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.991% * 99.2748% (0.58  10.0 10.00   4.31 138.15) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   9.03 +/- 1.29   0.007% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  13.44 +/- 1.41   0.001% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  11.43 +/- 0.61   0.001% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  21.65 +/- 1.18   0.000% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  22.05 +/- 1.54   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 = 0.471, support = 4.76, residual support = 138.1:
      O T QD1   ILE  103 - HG12  ILE  103   2.14 +/- 0.01  89.041% * 32.5765% (0.39  10.0 10.00   4.62 138.15) =  80.048%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.09 +/- 0.21  10.826% * 66.7776% (0.80  10.0 10.00   5.31 138.15) =  19.951%  kept
          QD2   LEU   40 - HG12  ILE  103   6.90 +/- 0.42   0.085% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG12  ILE  103  12.51 +/- 2.99   0.042% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  13.36 +/- 1.18   0.002% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  13.86 +/- 1.91   0.004% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  14.22 +/- 1.95   0.001% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  18.48 +/- 1.09   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 = 5.01, residual support = 26.2:
          QD1   LEU   98 - HG12  ILE  103   2.25 +/- 0.67  99.997% * 99.7127% (0.72   5.01  26.16) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  15.04 +/- 1.13   0.003% *  0.2873% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.758, support = 4.05, residual support = 138.1:
      O   QD1   ILE  103 - HG13  ILE  103   2.14 +/- 0.01  61.369% * 82.5087% (0.84  10.0   3.97 138.15) =  88.342%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.31 +/- 0.11  38.624% * 17.2996% (0.18  10.0   4.66 138.15) =  11.658%  kept
          QG2   ILE  119 - HG13  ILE  103  13.04 +/- 1.87   0.006% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  103  13.56 +/- 1.01   0.001% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.80 +/- 0.91   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 = 2.45, residual support = 26.2:
          QD1   LEU   98 - HG13  ILE  103   2.75 +/- 0.65  99.993% * 99.4138% (0.90   2.45  26.16) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  15.03 +/- 0.99   0.007% *  0.5862% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.541, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   ILE  103  11.03 +/- 2.46  59.975% * 17.5479% (0.45   0.02   0.02) =  53.026%  kept
          HE21  GLN   30 - QD1   ILE  103  13.53 +/- 1.68  15.785% * 30.1124% (0.77   0.02   0.02) =  23.949%  kept
          QD    PHE   59 - QD1   ILE  103  12.97 +/- 1.47  22.404% * 17.5479% (0.45   0.02   0.02) =  19.808%  kept
          HH2   TRP   49 - QD1   ILE  103  19.35 +/- 1.61   1.835% * 34.7918% (0.89   0.02   0.02) =   3.216%  kept
    Distance limit 3.94 A violated in 20 structures by 5.71 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.531, support = 0.144, residual support = 0.02:
          HE3   TRP   87 - QD1   ILE  103   4.77 +/- 2.59  92.748% * 24.6849% (0.52   0.14   0.02) =  93.649%  kept
          HN    TRP   87 - QD1   ILE  103   8.77 +/- 2.46   2.181% * 62.2784% (0.67   0.27   0.02) =   5.556%  kept
          HD21  ASN   69 - QD1   ILE  103  15.55 +/- 1.76   3.646% *  4.3577% (0.63   0.02   0.02) =   0.650%  kept
          HN    GLN   17 - QD1   ILE  103  17.97 +/- 1.07   0.319% *  5.5029% (0.80   0.02   0.02) =   0.072%
          HN    ALA   61 - QD1   ILE  103  16.51 +/- 1.13   0.694% *  1.7638% (0.26   0.02   0.02) =   0.050%
          HN    ALA   91 - QD1   ILE  103  13.08 +/- 2.16   0.413% *  1.4124% (0.21   0.02   0.02) =   0.024%
    Distance limit 3.60 A violated in 8 structures by 1.17 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.66, residual support = 138.1:
          HN    ILE  103 - QD1   ILE  103   3.14 +/- 0.61  99.797% * 99.4043% (0.92   5.66 138.15) = 100.000%  kept
          HN    GLN   90 - QD1   ILE  103  12.11 +/- 2.09   0.090% *  0.3325% (0.87   0.02   0.02) =   0.000%
          HN    GLY  109 - QD1   ILE  103  11.92 +/- 1.42   0.095% *  0.1849% (0.49   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  14.80 +/- 2.37   0.018% *  0.0783% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 138.1:
      O   HA    ILE  103 - HG13  ILE  103   2.79 +/- 0.38  99.006% * 99.0827% (0.73  10.0   5.40 138.15) = 100.000%  kept
          HA    LEU  104 - HG13  ILE  103   6.21 +/- 0.36   0.908% *  0.0379% (0.28   1.0   0.02  36.49) =   0.000%
          HA    ASP-  44 - HG13  ILE  103  10.62 +/- 1.02   0.048% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  12.83 +/- 2.79   0.021% *  0.0991% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  15.09 +/- 2.46   0.007% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  14.25 +/- 0.75   0.007% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  17.72 +/- 1.50   0.002% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  21.59 +/- 1.83   0.001% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.81 +/- 1.90   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  31.00 +/- 3.01   0.000% *  0.1260% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  29.56 +/- 2.50   0.000% *  0.1043% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.76 +/- 1.38   0.000% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 138.1:
          HN    ILE  103 - HG13  ILE  103   4.08 +/- 0.10  99.845% * 99.4575% (1.00   6.21 138.15) = 100.000%  kept
          HN    GLN   90 - HG13  ILE  103  14.54 +/- 1.97   0.061% *  0.3028% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - HG13  ILE  103  13.70 +/- 1.05   0.079% *  0.1684% (0.53   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  18.32 +/- 2.35   0.015% *  0.0713% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.29, residual support = 138.1:
          HN    ILE  103 - QG2   ILE  103   3.52 +/- 0.09  99.846% * 99.2307% (0.69   6.29 138.15) =  99.999%  kept
          HN    GLY  109 - QG2   ILE  103  11.26 +/- 0.81   0.105% *  0.4434% (0.97   0.02   0.02) =   0.000%
          HN    GLN   90 - QG2   ILE  103  12.94 +/- 1.17   0.046% *  0.2236% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  20.49 +/- 0.98   0.003% *  0.1023% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 22.4:
          HA    LYS+ 102 - HB    ILE  103   4.42 +/- 0.16  99.940% * 98.7651% (0.38   4.78  22.38) = 100.000%  kept
          HA    LEU   71 - HB    ILE  103  16.53 +/- 1.43   0.051% *  0.2180% (0.20   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    ILE  103  21.42 +/- 1.04   0.009% *  1.0169% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.41 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.821, support = 4.67, residual support = 18.0:
        T HB2   PHE   97 - HB2   LEU  104   3.30 +/- 0.52  91.145% * 99.7054% (0.82 10.00   4.67  17.96) =  99.996%  kept
          QE    LYS+  99 - HB2   LEU  104   6.10 +/- 0.99   7.104% *  0.0263% (0.22  1.00   0.02  16.92) =   0.002%
          QE    LYS+ 106 - HB2   LEU  104   6.87 +/- 1.13   1.734% *  0.0945% (0.78  1.00   0.02   0.02) =   0.002%
          HB3   PHE   60 - HB2   LEU  104  15.38 +/- 1.41   0.010% *  0.0765% (0.63  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  16.98 +/- 0.89   0.006% *  0.0973% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.05 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   2.47 +/- 0.50  99.999% * 99.8758% (0.82   6.38  38.83) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  17.51 +/- 0.98   0.001% *  0.1242% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.39, residual support = 217.5:
      O   HN    LEU  104 - HB2   LEU  104   2.57 +/- 0.34  99.995% * 99.7579% (0.36  10.0   7.39 217.53) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.81 +/- 1.05   0.005% *  0.2421% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 6.88, residual support = 217.5:
      O   HN    LEU  104 - HB3   LEU  104   3.61 +/- 0.23  99.978% * 99.9343% (0.71  10.0   6.88 217.53) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  15.08 +/- 1.00   0.022% *  0.0657% (0.46   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.44, residual support = 217.5:
          HN    LEU  104 - HG    LEU  104   3.25 +/- 0.30  99.981% * 99.8237% (0.92   7.44 217.53) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  14.16 +/- 1.15   0.019% *  0.1763% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.5, residual support = 16.9:
          HN    LYS+  99 - HG    LEU  104   3.30 +/- 0.68  97.145% * 96.3289% (0.98   1.50  16.92) =  99.960%  kept
          HE1   HIS  122 - HG    LEU  104   9.65 +/- 2.89   2.841% *  1.3074% (1.00   0.02   0.02) =   0.040%
          HN    GLN   30 - HG    LEU  104  16.85 +/- 0.86   0.008% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  22.88 +/- 1.88   0.002% *  1.2844% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  19.09 +/- 1.18   0.004% *  0.4918% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.384, support = 6.73, residual support = 207.3:
          HN    LEU  104 - QD1   LEU  104   3.97 +/- 0.62  79.041% * 77.5684% (0.40   6.88 217.53) =  94.250%  kept
          HN    PHE   72 - QD1   LEU   73   5.50 +/- 0.50  17.219% * 21.7002% (0.18   4.30  39.44) =   5.744%  kept
          HN    PHE   72 - QD1   LEU   63   8.43 +/- 1.47   2.879% *  0.1008% (0.18   0.02  16.49) =   0.004%
          HN    PHE   72 - QD1   LEU  104  11.84 +/- 1.20   0.165% *  0.5474% (0.96   0.02   0.02) =   0.001%
          HN    LEU  104 - QD1   LEU   63  10.20 +/- 1.61   0.516% *  0.0415% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  11.65 +/- 1.08   0.181% *  0.0415% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 2.96, residual support = 16.9:
        T HB2   LYS+  99 - QD1   LEU  104   2.30 +/- 0.47  98.741% * 97.1108% (0.40 10.00   2.96  16.92) =  99.999%  kept
        T HB    VAL   43 - QD1   LEU  104  10.20 +/- 1.13   0.038% *  1.2428% (0.51 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   73   5.62 +/- 0.85   1.035% *  0.0229% (0.09  1.00   0.02   7.87) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  11.83 +/- 1.59   0.022% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   8.82 +/- 2.05   0.120% *  0.0229% (0.09  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  11.85 +/- 0.99   0.014% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - QD1   LEU  104  15.78 +/- 1.23   0.002% *  1.0590% (0.43 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  10.86 +/- 0.79   0.017% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  13.25 +/- 1.86   0.006% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.30 +/- 0.71   0.005% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  21.17 +/- 1.05   0.000% *  0.1059% (0.43  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  17.66 +/- 1.59   0.001% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 2.0, residual support = 16.9:
          HB2   LYS+  99 - QD2   LEU  104   2.52 +/- 0.45  96.194% * 87.1245% (0.90  1.00   2.00  16.92) =  99.993%  kept
        T HB    VAL   43 - QD2   LEU  104  10.44 +/- 0.91   0.024% *  9.3754% (0.97 10.00   0.02   0.02) =   0.003%
        T HB    VAL   43 - QG1   VAL   41   7.30 +/- 0.40   0.280% *  0.5036% (0.05 10.00   0.02   1.82) =   0.002%
        T HB    VAL   43 - QG2   VAL   18   9.74 +/- 1.06   0.060% *  1.4406% (0.15 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG1   VAL   41   5.54 +/- 0.78   1.811% *  0.0468% (0.05  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG2   VAL   18   5.36 +/- 0.62   1.619% *  0.0372% (0.04  1.00   0.02  50.08) =   0.001%
          HB2   LYS+  99 - QG2   VAL   18  15.37 +/- 0.94   0.003% *  0.1339% (0.14  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  21.06 +/- 0.79   0.000% *  0.8968% (0.92  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   18  15.76 +/- 0.89   0.003% *  0.1378% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.71 +/- 1.30   0.001% *  0.2422% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.21 +/- 1.20   0.005% *  0.0130% (0.01  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  17.73 +/- 0.49   0.001% *  0.0482% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.4, residual support = 42.6:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.859% * 98.4679% (0.72  10.0 10.00   3.40  42.61) = 100.000%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.33 +/- 0.29   0.133% *  0.1263% (0.93   1.0  1.00   0.02  21.98) =   0.000%
          HB    ILE  103 - HB2   ASP- 105   8.85 +/- 0.49   0.007% *  0.0885% (0.65   1.0  1.00   0.02   2.54) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  16.18 +/- 1.21   0.000% *  0.4836% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  14.19 +/- 1.32   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  16.91 +/- 2.45   0.000% *  0.0834% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  18.07 +/- 1.32   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  19.00 +/- 1.04   0.000% *  0.1189% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.08 +/- 0.94   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.58 +/- 1.14   0.000% *  0.0678% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  21.74 +/- 0.76   0.000% *  0.1243% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.37 +/- 1.14   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  18.04 +/- 1.17   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 = 1.59, residual support = 4.77:
        T QG2   THR  118 - HB2   ASP- 105   3.38 +/- 1.26 100.000% *100.0000% (0.54 10.00   1.59   4.77) = 100.000%  kept
    Distance limit 3.24 A violated in 7 structures by 0.62 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.59, residual support = 4.77:
        T QG2   THR  118 - HB3   ASP- 105   3.43 +/- 1.05 100.000% *100.0000% (0.57 10.00   1.59   4.77) = 100.000%  kept
    Distance limit 3.44 A violated in 3 structures by 0.42 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.875, support = 4.22, residual support = 42.2:
          HB2   PHE   97 - HB2   ASP- 105   4.33 +/- 0.66  53.824% * 54.0005% (0.89   4.43  56.69) =  58.219%  kept
          QE    LYS+ 106 - HB2   ASP- 105   4.90 +/- 1.52  45.833% * 45.5101% (0.85   3.94  21.98) =  41.780%  kept
          QE    LYS+  99 - HB2   ASP- 105  10.26 +/- 1.15   0.288% *  0.0643% (0.24   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   ASP- 105  13.59 +/- 1.22   0.048% *  0.1872% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  18.59 +/- 0.87   0.007% *  0.2380% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.839, support = 3.76, residual support = 54.5:
        T HB2   PHE   97 - HB3   ASP- 105   3.25 +/- 0.64  87.376% * 67.7091% (0.87 10.00   3.75  56.69) =  93.802%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   5.64 +/- 1.38  12.180% * 32.0903% (0.41 10.00   3.86  21.98) =   6.197%  kept
          QE    LYS+  99 - HB3   ASP- 105   8.99 +/- 1.26   0.274% *  0.0567% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HB3   ASP- 105  11.05 +/- 1.00   0.128% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  13.21 +/- 1.06   0.032% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  17.76 +/- 0.92   0.004% *  0.0700% (0.90  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  17.28 +/- 1.31   0.005% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.19, residual support = 42.6:
      O T HA    ASP- 105 - HB3   ASP- 105   3.01 +/- 0.05  99.999% * 99.8608% (0.87  10.0 10.00   3.19  42.61) = 100.000%  kept
          HA    LEU   80 - HB3   ASP- 105  22.59 +/- 0.93   0.001% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  24.51 +/- 1.08   0.000% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  23.35 +/- 0.90   0.000% *  0.0178% (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 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.61, residual support = 42.6:
      O   HN    ASP- 105 - HB3   ASP- 105   2.79 +/- 0.21  99.998% * 99.9603% (0.95  10.0   4.61  42.61) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  17.11 +/- 0.66   0.002% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 3.83, residual support = 22.0:
          HN    LYS+ 106 - HB3   ASP- 105   3.83 +/- 0.28  99.514% * 99.5426% (0.18   3.83  21.98) =  99.998%  kept
          HN    VAL   41 - HB3   ASP- 105   9.89 +/- 1.10   0.486% *  0.4574% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.23, residual support = 56.7:
          QD    PHE   97 - HB2   ASP- 105   4.23 +/- 0.96  99.747% * 99.2738% (0.87   3.23  56.69) =  99.999%  kept
          HZ3   TRP   87 - HB2   ASP- 105  12.94 +/- 0.99   0.246% *  0.5779% (0.82   0.02   0.02) =   0.001%
          HE3   TRP   49 - HB2   ASP- 105  24.17 +/- 1.81   0.006% *  0.1483% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 5 structures by 0.47 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.75, residual support = 42.6:
      O   HN    ASP- 105 - HB2   ASP- 105   3.74 +/- 0.14  99.988% * 99.9603% (0.89  10.0   4.75  42.61) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  16.96 +/- 0.82   0.012% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 3.85, residual support = 22.0:
          HN    LYS+ 106 - HB2   ASP- 105   2.84 +/- 0.30  99.961% * 99.5440% (0.17   3.85  21.98) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105  11.30 +/- 1.09   0.039% *  0.4560% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.07, residual support = 2.14:
        T HA    MET   96 - HA    LYS+ 106   3.26 +/- 0.37  99.948% * 99.9194% (0.87 10.00   1.07   2.14) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.81 +/- 0.45   0.052% *  0.0806% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.89, residual support = 10.2:
          QD    PHE   97 - HA    LYS+ 106   3.95 +/- 0.91  98.887% * 99.5711% (0.45   3.89  10.18) =  99.995%  kept
          HZ3   TRP   87 - HA    LYS+ 106   9.93 +/- 0.78   1.113% *  0.4289% (0.38   0.02   0.02) =   0.005%
    Distance limit 3.79 A violated in 2 structures by 0.43 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.92, residual support = 10.2:
          HN    PHE   97 - HA    LYS+ 106   3.59 +/- 0.35  99.596% * 99.1113% (0.90   2.92  10.18) =  99.997%  kept
          HN    LEU  115 - HA    LYS+ 106   9.42 +/- 0.54   0.352% *  0.6784% (0.90   0.02   0.02) =   0.002%
          HN    ASP- 113 - HA    LYS+ 106  12.92 +/- 0.50   0.052% *  0.2103% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.18, residual support = 136.2:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.88 +/- 0.04 100.000% *100.0000% (0.61  10.0   5.18 136.15) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3159 (9.57, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.58, residual support = 26.8:
      O   HN    VAL  107 - HA    LYS+ 106   2.23 +/- 0.05 100.000% * 99.8992% (0.99  10.0   4.58  26.80) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.53 +/- 1.03   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 = 5.4, residual support = 136.2:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.28 +/- 0.11  99.875% * 99.9120% (0.18  10.0   5.40 136.15) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106  10.28 +/- 0.78   0.125% *  0.0880% (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 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.14, residual support = 26.8:
          HN    VAL  107 - QB    LYS+ 106   3.14 +/- 0.15  99.997% * 99.6092% (0.99   5.14  26.80) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  17.64 +/- 1.14   0.003% *  0.3908% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.607, support = 5.95, residual support = 136.2:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.40 +/- 0.06  99.759% * 94.0497% (0.61  10.0 10.00   5.95 136.15) =  99.998%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.43 +/- 0.63   0.130% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.33 +/- 0.86   0.011% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+ 106  10.20 +/- 0.66   0.019% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   9.27 +/- 0.92   0.036% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  17.92 +/- 0.79   0.001% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  18.08 +/- 1.08   0.001% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  12.65 +/- 1.14   0.006% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106   9.35 +/- 0.53   0.032% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  13.87 +/- 0.45   0.003% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  14.66 +/- 0.71   0.002% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  14.53 +/- 1.24   0.002% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.29 +/- 1.66   0.000% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.73, residual support = 6.03:
          QG2   VAL  108 - QB    LYS+ 106   2.98 +/- 0.15  99.201% * 98.4931% (1.00   2.73   6.03) =  99.995%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.04 +/- 0.31   0.606% *  0.7083% (0.98   0.02   0.02) =   0.004%
          QD1   ILE  119 - QB    LYS+ 106   9.22 +/- 1.31   0.181% *  0.5522% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QB    LYS+ 106  13.45 +/- 0.86   0.013% *  0.2465% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.764, support = 4.52, residual support = 26.1:
          QG2   VAL  107 - QB    LYS+ 106   5.42 +/- 0.13  10.238% * 98.7168% (0.76   4.65  26.80) =  97.349%  kept
          HG13  ILE  103 - QB    LYS+ 106   4.86 +/- 1.42  34.060% *  0.5546% (1.00   0.02   0.02) =   1.820%  kept
          QG2   THR   94 - QB    LYS+ 106   4.13 +/- 0.54  55.460% *  0.1546% (0.28   0.02   0.02) =   0.826%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  10.60 +/- 0.60   0.190% *  0.2925% (0.53   0.02   0.02) =   0.005%
          HB3   LYS+ 112 - QB    LYS+ 106  13.90 +/- 0.58   0.034% *  0.1716% (0.31   0.02   0.02) =   0.001%
          QB    ALA   20 - QB    LYS+ 106  15.56 +/- 0.66   0.017% *  0.1100% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 4.91, residual support = 101.7:
          HN    LYS+  81 - QG    LYS+  81   2.16 +/- 0.20  99.941% * 82.0437% (0.13   4.91 101.65) =  99.999%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.49 +/- 1.72   0.021% *  2.4604% (0.98   0.02   0.02) =   0.001%
          QE    PHE   95 - HG2   LYS+ 106  10.24 +/- 0.51   0.011% *  0.8619% (0.34   0.02   0.02) =   0.000%
          HN    THR   23 - QG    LYS+  81   9.66 +/- 0.59   0.014% *  0.6323% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  12.57 +/- 1.38   0.006% *  1.1780% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  13.36 +/- 0.85   0.002% *  1.3206% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.97 +/- 0.86   0.001% *  1.4922% (0.59   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  14.33 +/- 0.87   0.002% *  0.6804% (0.27   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.64 +/- 1.24   0.001% *  1.4401% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  17.74 +/- 1.77   0.000% *  1.4211% (0.57   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  16.01 +/- 1.86   0.001% *  0.4968% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  17.90 +/- 1.33   0.000% *  1.1369% (0.45   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  20.36 +/- 0.97   0.000% *  0.8009% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  18.46 +/- 1.48   0.000% *  0.3013% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  20.00 +/- 1.38   0.000% *  0.4233% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  20.96 +/- 0.97   0.000% *  0.6979% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.98 +/- 1.90   0.000% *  2.3745% (0.95   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  24.04 +/- 0.59   0.000% *  0.2378% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.748, residual support = 1.5:
          HN    GLU-  79 - QG    LYS+  81   3.87 +/- 0.16  99.425% * 81.2738% (0.27   0.75   1.50) =  99.985%  kept
          HN    VAL   70 - HG2   LYS+  33  11.43 +/- 1.70   0.229% *  3.9000% (0.49   0.02   0.02) =   0.011%
          HN    THR   94 - HG2   LYS+ 106  10.68 +/- 0.43   0.233% *  0.9616% (0.12   0.02   0.02) =   0.003%
          HN    THR   94 - QG    LYS+  81  12.71 +/- 0.98   0.087% *  0.7592% (0.09   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+ 106  18.21 +/- 0.82   0.010% *  2.3653% (0.30   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+  33  20.64 +/- 0.87   0.005% *  4.5362% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  20.05 +/- 1.11   0.005% *  2.7511% (0.34   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.94 +/- 1.27   0.004% *  1.5856% (0.20   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.88 +/- 0.44   0.002% *  1.8672% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 136.2:
      O   HA    LYS+ 106 - HG3   LYS+ 106   3.36 +/- 0.13  99.961% * 99.8764% (0.18  10.0   5.66 136.15) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  13.15 +/- 0.93   0.032% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  18.32 +/- 1.19   0.004% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  19.59 +/- 0.74   0.003% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.31, residual support = 45.8:
        T HB2   PHE   95 - HB    VAL  107   2.49 +/- 0.47 100.000% *100.0000% (0.69 10.00   4.31  45.83) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.2, residual support = 60.2:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.01  99.842% * 99.7352% (0.72  10.0 10.00   3.20  60.18) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.01 +/- 1.29   0.142% *  0.0199% (0.14   1.0  1.00   0.02   0.11) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  10.81 +/- 0.84   0.007% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    VAL  107  10.28 +/- 0.67   0.008% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.31 +/- 0.64   0.001% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.99 +/- 0.92   0.000% *  0.0176% (0.13   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 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.89, residual support = 60.2:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.01  99.851% * 99.5954% (0.71  10.0 10.00   3.89  60.18) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.01 +/- 1.29   0.142% *  0.0226% (0.16   1.0  1.00   0.02   0.11) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  11.05 +/- 1.16   0.006% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HB    VAL  107  16.88 +/- 1.11   0.000% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  17.56 +/- 1.35   0.000% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.99 +/- 0.92   0.000% *  0.0253% (0.18   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 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.662, support = 0.73, residual support = 7.78:
          QD2   LEU  115 - HB    VAL  107   4.68 +/- 1.29  62.936% * 76.1979% (0.67   0.75   8.09) =  96.159%  kept
          QD2   LEU   63 - HB    VAL  107   7.62 +/- 1.62   8.429% * 15.4520% (0.33   0.31   0.02) =   2.612%  kept
          QD1   LEU   63 - HB    VAL  107   6.21 +/- 1.27  27.876% *  2.1576% (0.71   0.02   0.02) =   1.206%  kept
          QD1   LEU  104 - HB    VAL  107  10.71 +/- 0.78   0.453% *  1.5120% (0.50   0.02   0.02) =   0.014%
          QD1   LEU   73 - HB    VAL  107  12.76 +/- 0.64   0.154% *  2.1576% (0.71   0.02   0.02) =   0.007%
          QD2   LEU   80 - HB    VAL  107  15.22 +/- 0.90   0.056% *  1.9741% (0.65   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB    VAL  107  14.10 +/- 1.09   0.095% *  0.5489% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 2 structures by 0.47 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.85, residual support = 45.8:
          QD    PHE   95 - HB    VAL  107   2.31 +/- 0.64  99.992% * 99.8339% (0.63   3.85  45.83) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  13.04 +/- 0.96   0.008% *  0.1661% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.04 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   6.25 +/- 1.19  98.103% * 54.4328% (0.33   0.02   2.39) =  98.407%  kept
          HZ3   TRP   87 - HB    VAL  107  13.31 +/- 0.83   1.897% * 45.5672% (0.27   0.02   0.02) =   1.593%  kept
    Distance limit 3.72 A violated in 18 structures by 2.51 A, eliminated.
    Peak unassigned.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 60.2:
      O   HN    VAL  107 - HB    VAL  107   2.34 +/- 0.14  99.999% * 99.8992% (0.72  10.0   3.33  60.18) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.52 +/- 1.00   0.001% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 45.8:
          HN    PHE   95 - HB    VAL  107   3.63 +/- 0.74 100.000% *100.0000% (0.47   3.24  45.83) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 4.35, residual support = 60.2:
      O   QG2   VAL  107 - QG1   VAL  107   2.04 +/- 0.06  99.265% * 99.3136% (0.99  10.0  1.00   4.35  60.18) =  99.999%  kept
        T HG13  ILE  119 - QG1   VAL  107   5.32 +/- 1.09   0.659% *  0.1983% (0.20   1.0 10.00   0.02   0.11) =   0.001%
          HG2   LYS+ 121 - QG1   VAL  107   7.81 +/- 0.58   0.035% *  0.0967% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   9.11 +/- 0.59   0.014% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24  10.48 +/- 0.32   0.006% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  16.10 +/- 0.63   0.000% *  0.1755% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.68 +/- 0.39   0.018% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.81 +/- 0.82   0.001% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  13.35 +/- 2.07   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  14.93 +/- 1.11   0.001% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  22.17 +/- 1.08   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  19.93 +/- 1.44   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 = 3.89, residual support = 60.2:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.01  99.692% * 99.1597% (0.65  10.0 10.00   3.89  60.18) = 100.000%  kept
          HB2   GLN  116 - QG1   VAL  107   6.39 +/- 0.55   0.151% *  0.0268% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL   24   7.46 +/- 0.99   0.074% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG1   VAL  107   7.90 +/- 0.83   0.047% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL   24   9.33 +/- 1.03   0.019% *  0.0363% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107  10.56 +/- 1.02   0.008% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL  107 - QG2   VAL   24  16.88 +/- 1.11   0.000% *  0.2357% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  10.47 +/- 0.79   0.008% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  17.26 +/- 0.83   0.000% *  0.1280% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.05 +/- 0.72   0.000% *  0.1529% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.27 +/- 0.92   0.001% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  20.90 +/- 1.65   0.000% *  0.0908% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  16.85 +/- 0.80   0.000% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  23.89 +/- 1.07   0.000% *  0.0064% (0.04   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 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.2, residual support = 60.2:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.01  99.735% * 99.2330% (0.65  10.0 10.00   3.20  60.18) =  99.999%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.88 +/- 0.88   0.128% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL  107   6.79 +/- 0.66   0.110% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   8.99 +/- 1.19   0.026% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  16.04 +/- 0.99   0.001% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  19.58 +/- 0.90   0.000% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.97 +/- 0.80   0.000% *  0.0382% (0.25   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 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 0.986, residual support = 4.47:
        T QB    GLU- 114 - QG2   VAL  107   3.62 +/- 0.82  77.155% * 97.4513% (0.65 10.00   0.99   4.48) =  99.901%  kept
          HB2   LYS+ 111 - QG2   VAL  107   5.00 +/- 1.27  20.218% *  0.3025% (0.99  1.00   0.02   0.02) =   0.081%
        T HB    ILE  119 - QG2   VAL  107   7.28 +/- 1.11   2.508% *  0.5345% (0.18 10.00   0.02   0.11) =   0.018%
          HB2   GLN   17 - QG2   VAL  107  16.44 +/- 0.55   0.015% *  0.3052% (1.00  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG2   VAL  107  15.64 +/- 0.94   0.023% *  0.1728% (0.57  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  17.18 +/- 0.91   0.012% *  0.3052% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   VAL  107  16.38 +/- 2.00   0.020% *  0.1486% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  107  16.94 +/- 1.27   0.012% *  0.2444% (0.80  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  17.79 +/- 1.12   0.010% *  0.1255% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  21.53 +/- 0.99   0.003% *  0.2887% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  16.43 +/- 0.64   0.016% *  0.0535% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.50 +/- 0.54   0.007% *  0.0679% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 8 structures by 0.80 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.722, support = 1.78, residual support = 5.48:
          QD2   LEU  115 - QG1   VAL  107   3.61 +/- 0.97  18.611% * 29.6513% (0.92  1.00   2.58   8.09) =  57.771%  kept
        T QG1   VAL   83 - QG2   VAL   24   2.49 +/- 0.63  65.427% *  2.7044% (0.06 10.00   0.37   0.78) =  18.524%  kept
        T QD1   LEU   63 - QG1   VAL  107   5.40 +/- 0.92   2.951% * 53.9948% (0.98 10.00   0.44   0.02) =  16.680%  kept
          QD2   LEU   80 - QG2   VAL   24   3.69 +/- 0.65  11.588% *  5.6589% (0.21  1.00   2.13   9.65) =   6.865%  kept
        T QD2   LEU   63 - QG1   VAL  107   6.36 +/- 1.22   1.180% *  1.1153% (0.45 10.00   0.02   0.02) =   0.138%
        T QD1   LEU   73 - QG2   VAL   24   6.90 +/- 0.62   0.172% *  0.5795% (0.23 10.00   0.02   0.02) =   0.010%
        T QD1   LEU  104 - QG1   VAL  107   8.78 +/- 0.76   0.048% *  1.7088% (0.69 10.00   0.02   0.02) =   0.009%
        T QD1   LEU   73 - QG1   VAL  107  11.80 +/- 0.73   0.008% *  2.4384% (0.98 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   83 - QG1   VAL  107  13.12 +/- 0.83   0.005% *  0.6203% (0.25 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   24  14.69 +/- 1.63   0.002% *  0.5795% (0.23 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   24  14.78 +/- 1.08   0.002% *  0.4061% (0.16 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL  107  14.12 +/- 0.87   0.003% *  0.2231% (0.90  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - QG2   VAL   24  15.57 +/- 1.52   0.002% *  0.2651% (0.11 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   24  16.74 +/- 1.49   0.001% *  0.0546% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 1.08, residual support = 8.09:
          QD1   LEU  115 - QG2   VAL  107   3.15 +/- 0.72  99.806% * 97.2892% (0.38   1.08   8.09) =  99.995%  kept
          QG1   VAL   75 - QG2   VAL  107  10.18 +/- 0.76   0.194% *  2.7108% (0.57   0.02   0.02) =   0.005%
    Distance limit 3.57 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.875, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.67 +/- 1.02  88.198% * 58.0948% (0.90   0.02   0.02) =  91.197%  kept
          QG2   ILE   19 - QG2   VAL  107  13.75 +/- 0.62  11.802% * 41.9052% (0.65   0.02   0.02) =   8.803%  kept
    Distance limit 3.25 A violated in 20 structures by 6.21 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.63, residual support = 60.2:
      O T HA    VAL  107 - QG2   VAL  107   2.66 +/- 0.15  98.131% * 99.4123% (0.45  10.0 10.00   3.63  60.18) =  99.998%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.31 +/- 0.59   1.738% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QG2   VAL  107   9.86 +/- 1.67   0.088% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL  107  10.11 +/- 0.82   0.040% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  15.91 +/- 0.74   0.003% *  0.1852% (0.84   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 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.322, support = 1.93, residual support = 6.82:
        T HB    ILE  119 - QG1   VAL  107   6.02 +/- 1.08  38.634% * 45.0209% (0.25 10.00   0.67   0.11) =  64.598%  kept
          HB    VAL  108 - QG1   VAL  107   5.99 +/- 0.32  18.034% * 51.8437% (0.45  1.00   4.32  19.45) =  34.724%  kept
          HB2   PRO   93 - QG1   VAL  107   6.49 +/- 2.18  39.484% *  0.4477% (0.84  1.00   0.02   0.02) =   0.656%  kept
          HG2   PRO   58 - QG1   VAL  107  10.41 +/- 1.16   1.049% *  0.3467% (0.65  1.00   0.02   0.02) =   0.014%
          HG3   PRO   52 - QG1   VAL  107  12.80 +/- 1.94   0.231% *  0.3467% (0.65  1.00   0.02   0.02) =   0.003%
          HB2   GLN   30 - QG2   VAL   24   8.75 +/- 0.46   2.115% *  0.0318% (0.06  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG1   VAL  107  13.73 +/- 0.69   0.130% *  0.2820% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QG1   VAL  107  16.17 +/- 0.90   0.050% *  0.1336% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  107  16.89 +/- 0.76   0.041% *  0.1061% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   VAL   24  16.70 +/- 0.69   0.041% *  0.1064% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL  107  21.60 +/- 1.62   0.009% *  0.3892% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   VAL   24  15.98 +/- 1.09   0.054% *  0.0571% (0.11  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG2   VAL   24  18.44 +/- 1.16   0.024% *  0.0925% (0.17  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG2   VAL   24  19.34 +/- 1.53   0.017% *  0.0824% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL   24  16.46 +/- 1.04   0.051% *  0.0252% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL   24  20.98 +/- 1.91   0.013% *  0.0670% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  107  28.86 +/- 1.77   0.002% *  0.4096% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG2   VAL   24  22.29 +/- 1.01   0.007% *  0.0824% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL   24  25.29 +/- 2.54   0.004% *  0.0973% (0.18  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG2   VAL   24  21.69 +/- 1.24   0.009% *  0.0318% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 13 structures by 1.23 A, kept.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.899, support = 1.46, residual support = 7.78:
          HA    LEU  115 - QG1   VAL  107   2.07 +/- 0.56  92.504% * 40.0388% (0.90   1.42   8.09) =  91.371%  kept
          HA    GLU- 114 - QG1   VAL  107   4.15 +/- 0.78   6.183% * 56.5384% (0.92   1.94   4.48) =   8.625%  kept
          HA    ASN   28 - QG2   VAL   24   4.90 +/- 0.24   1.082% *  0.1300% (0.21   0.02  11.41) =   0.003%
          HA    THR   26 - QG2   VAL   24   6.54 +/- 0.16   0.213% *  0.0909% (0.14   0.02   2.43) =   0.000%
          HA    ARG+  54 - QG1   VAL  107  12.34 +/- 0.81   0.007% *  0.2151% (0.34   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG1   VAL  107  15.56 +/- 0.94   0.001% *  0.6251% (0.99   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  17.19 +/- 0.59   0.001% *  0.5470% (0.87   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   VAL   24  13.42 +/- 0.35   0.003% *  0.1469% (0.23   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  17.06 +/- 0.72   0.001% *  0.6182% (0.98   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   VAL   24  14.58 +/- 2.54   0.002% *  0.1486% (0.24   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  13.71 +/- 0.71   0.002% *  0.1573% (0.25   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  20.10 +/- 0.59   0.000% *  0.3825% (0.61   0.02   0.02) =   0.000%
          HA    LEU  115 - QG2   VAL   24  19.58 +/- 0.99   0.000% *  0.1344% (0.21   0.02   0.02) =   0.000%
          HA    GLU- 114 - QG2   VAL   24  22.58 +/- 1.12   0.000% *  0.1384% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG2   VAL   24  19.74 +/- 1.84   0.000% *  0.0511% (0.08   0.02   0.02) =   0.000%
          HA    ALA  124 - QG2   VAL   24  26.90 +/- 2.18   0.000% *  0.0374% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 4.59, residual support = 60.2:
      O T HA    VAL  107 - QG1   VAL  107   2.23 +/- 0.27  99.417% * 99.0400% (0.45  10.0 10.00   4.59  60.18) = 100.000%  kept
          HA    TRP   27 - QG2   VAL   24   5.87 +/- 0.17   0.397% *  0.0439% (0.20   1.0  1.00   0.02  25.75) =   0.000%
          HA    LYS+ 111 - QG1   VAL  107   6.63 +/- 0.38   0.167% *  0.0754% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG1   VAL  107  12.20 +/- 1.07   0.009% *  0.1916% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  12.01 +/- 1.55   0.008% *  0.1340% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  16.12 +/- 0.59   0.001% *  0.1845% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL  107 - QG2   VAL   24  17.78 +/- 0.92   0.000% *  0.2354% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL   24  15.26 +/- 0.62   0.001% *  0.0318% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  20.91 +/- 0.82   0.000% *  0.0455% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  22.34 +/- 0.95   0.000% *  0.0179% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.13, support = 2.87, residual support = 24.8:
          HD1   TRP   27 - QG2   VAL   24   2.68 +/- 0.76  91.592% * 62.5344% (0.12   2.97  25.75) =  96.203%  kept
          QD    PHE   59 - QG1   VAL  107   4.96 +/- 0.86   8.314% * 27.1754% (0.49   0.31   0.45) =   3.795%  kept
          HH2   TRP   49 - QG1   VAL  107  13.92 +/- 2.16   0.020% *  3.5083% (0.97   0.02   0.02) =   0.001%
          HE21  GLN   30 - QG2   VAL   24   9.70 +/- 1.07   0.062% *  0.7216% (0.20   0.02   0.02) =   0.001%
          HE21  GLN   30 - QG1   VAL  107  15.86 +/- 1.33   0.004% *  3.0364% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   VAL  107  16.11 +/- 0.85   0.004% *  1.7695% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   VAL   24  19.61 +/- 1.77   0.002% *  0.8338% (0.23   0.02   0.02) =   0.000%
          QD    PHE   59 - QG2   VAL   24  17.33 +/- 1.30   0.003% *  0.4205% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3189 (7.02, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.86, residual support = 45.8:
          QD    PHE   95 - QG2   VAL  107   2.55 +/- 0.63  99.846% * 99.4883% (0.95   3.86  45.83) = 100.000%  kept
          HN    ALA   47 - QG2   VAL  107  10.31 +/- 0.99   0.046% *  0.4163% (0.76   0.02   0.02) =   0.000%
          QE    PHE   72 - QG2   VAL  107   9.55 +/- 1.14   0.108% *  0.0954% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 1.5, residual support = 8.09:
          HN    LEU  115 - QG2   VAL  107   3.35 +/- 0.72  96.120% * 98.2833% (0.90   1.50   8.09) =  99.973%  kept
          HN    PHE   97 - QG2   VAL  107   7.96 +/- 0.35   1.125% *  1.3105% (0.90   0.02   2.39) =   0.016%
          HN    ASP- 113 - QG2   VAL  107   6.17 +/- 0.70   2.755% *  0.4063% (0.28   0.02   0.02) =   0.012%
    Distance limit 3.78 A violated in 1 structures by 0.17 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 19.5:
          HN    VAL  108 - QG2   VAL  107   3.30 +/- 0.12  99.725% * 99.3374% (0.57   3.64  19.45) =  99.998%  kept
          HN    VAL   43 - QG2   VAL  107   9.03 +/- 0.60   0.275% *  0.6626% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 60.2:
          HN    VAL  107 - QG1   VAL  107   3.07 +/- 0.35  99.979% * 99.2847% (0.99   4.13  60.18) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.82 +/- 1.23   0.011% *  0.4856% (1.00   0.02   0.02) =   0.000%
          HN    VAL  107 - QG2   VAL   24  15.65 +/- 0.94   0.008% *  0.1144% (0.24   0.02   0.02) =   0.000%
          HN    GLY   51 - QG2   VAL   24  19.36 +/- 0.90   0.002% *  0.1154% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.662, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   8.61 +/- 0.50  82.571% * 80.7980% (0.69   0.02   0.02) =  95.223%  kept
          HN    VAL   43 - QG2   VAL   24  11.31 +/- 0.67  17.429% * 19.2020% (0.16   0.02   0.02) =   4.777%  kept
    Distance limit 3.42 A violated in 20 structures by 4.91 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   3.01 +/- 0.32  99.964% * 99.9027% (0.99  10.0   2.20   6.39) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109  11.80 +/- 0.90   0.036% *  0.0973% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 9.23:
      O   HN    GLY  109 - HA2   GLY  109   2.55 +/- 0.25  99.956% * 99.5895% (0.53  10.0   2.20   9.23) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109   9.95 +/- 1.26   0.042% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  18.85 +/- 1.08   0.001% *  0.1893% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  20.28 +/- 1.28   0.000% *  0.0421% (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 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.67, residual support = 65.0:
      O   HN    VAL  108 - HB    VAL  108   2.95 +/- 0.47  99.937% * 99.8788% (0.57  10.0   4.67  65.00) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  11.45 +/- 1.02   0.063% *  0.1212% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.58:
          HN    GLY  109 - QG1   VAL  108   2.58 +/- 0.27  99.088% * 89.7984% (0.14   3.09   7.59) =  99.962%  kept
          HN    GLN   90 - QG1   VAL  108   6.71 +/- 1.24   0.899% *  3.7235% (0.87   0.02   0.02) =   0.038%
          HN    ILE  103 - QG1   VAL  108  12.77 +/- 1.18   0.009% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  14.72 +/- 0.98   0.003% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  21.41 +/- 0.87   0.000% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 65.0:
          HN    VAL  108 - QG1   VAL  108   3.62 +/- 0.06  99.875% * 99.4664% (0.57   4.52  65.00) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  11.13 +/- 0.58   0.125% *  0.5336% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 65.0:
          HN    VAL  108 - QG2   VAL  108   2.62 +/- 0.61  99.866% * 99.4087% (0.57   4.08  65.00) =  99.999%  kept
          HN    VAL   43 - QG2   VAL  108   9.23 +/- 0.58   0.134% *  0.5913% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.21 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 = 0.792, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108  10.23 +/- 0.81  85.912% * 32.6470% (0.80   0.02   0.02) =  87.082%  kept
          HN    SER   82 - QG2   VAL  108  14.63 +/- 0.96  12.190% * 28.0060% (0.69   0.02   0.02) =  10.599%  kept
          HN    GLY   16 - QG2   VAL  108  19.73 +/- 0.95   1.898% * 39.3470% (0.97   0.02   0.02) =   2.319%  kept
    Distance limit 4.22 A violated in 20 structures by 5.74 A, eliminated.
    Peak unassigned.
 
    Peak 3201 (5.58, 0.89, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          HA    LEU   73 - QG1   VAL  108  15.98 +/- 0.83 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.79 A violated in 20 structures by 12.19 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 = 6.03:
          HA    LYS+ 106 - QG2   VAL  108   4.71 +/- 0.11 100.000% *100.0000% (0.28   1.42   6.03) = 100.000%  kept
    Distance limit 3.94 A violated in 3 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 = 315.4:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.31 +/- 0.05  99.572% * 98.2964% (0.69  10.0  1.00   6.56 315.43) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 111   8.27 +/- 1.24   0.114% *  0.1146% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB3   LYS+ 111   6.45 +/- 0.58   0.301% *  0.0251% (0.18   1.0  1.00   0.02  27.98) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  12.15 +/- 2.01   0.006% *  0.3568% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  14.03 +/- 1.06   0.002% *  0.1381% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  14.17 +/- 1.28   0.002% *  0.1428% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  15.91 +/- 1.37   0.001% *  0.1195% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  17.77 +/- 1.05   0.001% *  0.1403% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  18.21 +/- 2.53   0.001% *  0.1321% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  22.31 +/- 2.39   0.000% *  0.1937% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  22.65 +/- 2.26   0.000% *  0.1283% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.68 +/- 1.84   0.000% *  0.0588% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  25.75 +/- 1.72   0.000% *  0.1094% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  29.70 +/- 1.87   0.000% *  0.0442% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 3.15, residual support = 26.0:
          HB3   LYS+ 112 - HB3   LYS+ 111   6.75 +/- 1.25  15.944% * 87.4804% (0.31  1.00   3.40  27.98) =  92.870%  kept
          QG2   VAL  107 - HB3   LYS+ 111   4.15 +/- 1.62  83.565% *  1.2759% (0.76  1.00   0.02   0.02) =   7.099%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  14.20 +/- 1.27   0.027% *  8.7834% (0.53 10.00   0.02   0.02) =   0.016%
          QG2   THR   94 - HB3   LYS+ 111   9.16 +/- 1.69   0.448% *  0.4642% (0.28  1.00   0.02   0.02) =   0.014%
          HG13  ILE  103 - HB3   LYS+ 111  16.04 +/- 2.11   0.013% *  1.6658% (1.00  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB3   LYS+ 111  20.76 +/- 1.21   0.002% *  0.3304% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 1 structures by 0.46 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.96, residual support = 315.4:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.97 +/- 0.11  98.594% * 99.9336% (0.97  10.0   6.96 315.43) = 100.000%  kept
          HA    VAL  108 - HB3   LYS+ 111   6.84 +/- 1.91   1.384% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   LYS+ 111  12.34 +/- 1.25   0.022% *  0.0504% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 315.4:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.55 +/- 0.41  99.966% * 99.6823% (0.73  10.0   5.50 315.43) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111  11.18 +/- 1.52   0.030% *  0.0468% (0.34   1.0   0.02   2.10) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  14.82 +/- 1.13   0.003% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  20.58 +/- 1.66   0.000% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  32.96 +/- 2.20   0.000% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.4:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.39 +/- 0.46  99.195% * 99.5678% (1.00  10.0   7.06 315.43) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  11.48 +/- 1.60   0.124% *  0.0834% (0.84   1.0   0.02   2.10) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.66 +/- 0.97   0.146% *  0.0146% (0.15   1.0   0.02   1.52) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   8.74 +/- 0.85   0.494% *  0.0031% (0.03   1.0   0.02   8.29) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  15.25 +/- 1.17   0.017% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  15.67 +/- 0.79   0.013% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  21.68 +/- 1.26   0.002% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  17.85 +/- 1.31   0.006% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  22.97 +/- 1.91   0.001% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  25.15 +/- 1.72   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  26.17 +/- 1.36   0.001% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  34.00 +/- 1.86   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 315.4:
          HN    LYS+ 111 - HG2   LYS+ 111   3.81 +/- 0.33  99.806% * 94.2720% (0.18   6.51 315.43) =  99.998%  kept
          HN    ILE   56 - HG2   LYS+ 111  12.65 +/- 1.96   0.110% *  0.8046% (0.49   0.02   2.10) =   0.001%
          QE    PHE   60 - HG2   LYS+ 111  15.00 +/- 2.69   0.060% *  0.5102% (0.31   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+ 111  16.96 +/- 1.17   0.015% *  1.0026% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  21.29 +/- 2.04   0.004% *  1.4825% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  26.15 +/- 1.78   0.001% *  1.6385% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  21.25 +/- 1.70   0.004% *  0.2895% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 315.4:
          HN    LYS+ 111 - HG3   LYS+ 111   3.14 +/- 0.57  99.607% * 98.0222% (0.65   6.55 315.43) =  99.999%  kept
          HN    ILE   56 - HG3   LYS+ 111  11.60 +/- 2.23   0.096% *  0.4464% (0.97   0.02   2.10) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  11.62 +/- 1.37   0.099% *  0.0477% (0.10   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+  74  11.35 +/- 1.19   0.074% *  0.0493% (0.11   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   LYS+ 111  16.65 +/- 1.25   0.007% *  0.4615% (1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  12.31 +/- 0.98   0.047% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  13.55 +/- 0.63   0.026% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  13.02 +/- 0.77   0.029% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  21.03 +/- 1.40   0.002% *  0.2992% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  16.35 +/- 1.65   0.010% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  21.45 +/- 1.44   0.001% *  0.1736% (0.38   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  26.15 +/- 1.27   0.000% *  0.2619% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  21.94 +/- 0.96   0.001% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  34.52 +/- 1.76   0.000% *  0.1153% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.68, residual support = 32.0:
          HN    VAL   75 - HG2   LYS+  74   2.93 +/- 0.62  99.858% * 92.7599% (0.09   5.68  31.96) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.02 +/- 1.12   0.137% *  0.4041% (0.11   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  18.81 +/- 1.13   0.003% *  3.0548% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.85 +/- 1.61   0.002% *  3.7812% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.761, support = 0.789, residual support = 2.39:
        T HB2   LEU  115 - HA    LYS+ 112   2.52 +/- 0.57  95.462% * 80.5276% (0.76 10.00   0.75   2.24) =  99.409%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.22 +/- 0.27   2.490% * 18.1894% (0.18  1.00   7.39  27.98) =   0.586%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.72 +/- 0.51   1.930% *  0.2040% (0.73  1.00   0.02   0.95) =   0.005%
          HG3   PRO   58 - HA    LYS+ 112  10.21 +/- 2.19   0.113% *  0.2250% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LYS+ 112  17.20 +/- 1.60   0.002% *  0.1055% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 112  20.79 +/- 3.17   0.001% *  0.2437% (0.87  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  21.78 +/- 1.53   0.000% *  0.2250% (0.80  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  17.42 +/- 1.61   0.001% *  0.0492% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  20.97 +/- 1.56   0.000% *  0.0626% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  22.52 +/- 1.70   0.000% *  0.0626% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  30.40 +/- 1.17   0.000% *  0.1055% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.81, residual support = 8.53:
        T QD1   ILE   56 - HA    LYS+ 112   4.30 +/- 1.86  98.471% * 99.7133% (0.84 10.00   1.81   8.53) =  99.999%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.08 +/- 0.55   0.429% *  0.1215% (0.92  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HA    LYS+ 112  12.16 +/- 1.32   0.762% *  0.0366% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HA    LYS+ 112  16.64 +/- 1.44   0.314% *  0.0745% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  24.03 +/- 1.28   0.024% *  0.0541% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 10 structures by 1.37 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.942, support = 1.35, residual support = 2.25:
          QD    PHE   55 - HA    LYS+ 112   5.71 +/- 1.66  66.781% * 96.1905% (0.95   1.36   2.26) =  99.565%  kept
          QE    PHE   95 - HA    LYS+ 112   6.47 +/- 0.98  33.052% *  0.8463% (0.57   0.02   0.02) =   0.434%
          HN    LEU   67 - HA    LYS+ 112  16.79 +/- 1.69   0.128% *  0.2958% (0.20   0.02   0.02) =   0.001%
          HE3   TRP   27 - HA    LYS+ 112  21.75 +/- 1.06   0.019% *  1.4653% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - HA    LYS+ 112  24.58 +/- 1.30   0.010% *  0.7865% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+ 112  24.58 +/- 1.50   0.009% *  0.4156% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 15 structures by 2.09 A, eliminated.
    Peak unassigned.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 232.0:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.80 +/- 0.05  99.969% * 99.7200% (0.92  10.0   5.75 232.04) = 100.000%  kept
          HN    MET   92 - HA    LYS+ 112  12.89 +/- 2.36   0.025% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HA    LYS+ 112  15.29 +/- 1.30   0.005% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  19.17 +/- 1.31   0.001% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  37.70 +/- 3.27   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 6.22, residual support = 232.0:
          HN    LYS+ 112 - HG2   LYS+ 112   3.73 +/- 0.44  99.982% * 98.9757% (0.41   6.22 232.04) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+ 112  20.95 +/- 2.25   0.006% *  0.5921% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG2   LYS+ 112  18.05 +/- 1.89   0.012% *  0.2391% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  38.72 +/- 3.99   0.000% *  0.1932% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.796, support = 0.02, residual support = 0.02:
          QE    PHE   59 - HG2   LYS+ 112   7.32 +/- 2.55  60.728% * 30.2011% (0.90   0.02   0.02) =  72.797%  kept
          HN    PHE   59 - HG2   LYS+ 112   8.67 +/- 2.57  32.370% * 17.7173% (0.53   0.02   0.02) =  22.764%  kept
          QD    PHE   60 - HG2   LYS+ 112  11.34 +/- 2.17   6.262% * 15.0977% (0.45   0.02   0.02) =   3.753%  kept
          HN    LYS+  66 - HG2   LYS+ 112  16.55 +/- 2.53   0.537% * 31.0863% (0.92   0.02   0.02) =   0.663%  kept
          HN    LYS+  81 - HG2   LYS+ 112  25.71 +/- 2.16   0.102% *  5.8976% (0.18   0.02   0.02) =   0.024%
    Distance limit 4.01 A violated in 16 structures by 2.73 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.59, residual support = 232.0:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.34 +/- 0.19  99.971% * 93.9398% (0.20  10.0 10.00   4.59 232.04) =  99.999%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.47 +/- 2.63   0.027% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HG2   LYS+ 112  18.63 +/- 1.14   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  16.48 +/- 1.74   0.001% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  24.91 +/- 1.68   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  32.79 +/- 1.72   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  33.68 +/- 2.95   0.000% *  0.2128% (0.45   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 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.65, residual support = 232.0:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.99 +/- 0.40  99.897% * 93.9398% (0.20  10.0 10.00   4.65 232.04) =  99.995%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.80 +/- 2.26   0.092% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          HG3   MET   96 - HG3   LYS+ 112  18.04 +/- 1.42   0.003% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   LYS+ 112  15.97 +/- 1.84   0.007% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  24.32 +/- 1.91   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  32.48 +/- 1.84   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  33.50 +/- 2.82   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.366, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HG3   LYS+ 112   7.98 +/- 1.45  95.177% *  6.9459% (0.28   0.02   0.02) =  86.036%  kept
          HD1   TRP   49 - HG3   LYS+ 112  16.44 +/- 3.03   3.424% * 24.1093% (0.97   0.02   0.02) =  10.744%  kept
          HN    LEU   67 - HG3   LYS+ 112  18.33 +/- 2.17   1.046% * 17.1603% (0.69   0.02   0.02) =   2.335%  kept
          HD2   HIS   22 - HG3   LYS+ 112  22.68 +/- 2.38   0.212% * 24.9820% (1.00   0.02   0.02) =   0.691%  kept
          HN    THR   23 - HG3   LYS+ 112  25.58 +/- 2.14   0.105% *  7.7106% (0.31   0.02   0.02) =   0.106%
          HD21  ASN   35 - HG3   LYS+ 112  31.59 +/- 1.81   0.035% * 19.0919% (0.76   0.02   0.02) =   0.088%
    Distance limit 4.14 A violated in 20 structures by 3.77 A, eliminated.
    Peak unassigned.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.95, residual support = 232.0:
          HN    LYS+ 112 - HG3   LYS+ 112   3.13 +/- 0.56  99.992% * 98.9298% (0.41   5.95 232.04) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  20.57 +/- 2.34   0.003% *  0.6186% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  17.74 +/- 2.00   0.006% *  0.2498% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  38.91 +/- 3.81   0.000% *  0.2018% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.79, residual support = 232.0:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.33 +/- 0.14  99.972% * 95.1769% (0.20  10.0  1.00   3.79 232.04) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  12.07 +/- 3.07   0.027% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  18.82 +/- 1.81   0.000% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  16.62 +/- 1.95   0.001% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  24.99 +/- 2.20   0.000% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  33.07 +/- 2.30   0.000% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  34.10 +/- 3.51   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 = 232.0:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.73 +/- 0.24  99.971% * 99.7845% (0.85  10.0   5.53 232.04) = 100.000%  kept
          QB    ALA   47 - HD3   LYS+ 112  13.22 +/- 1.98   0.023% *  0.1053% (0.89   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD3   LYS+ 112  14.86 +/- 1.76   0.006% *  0.1103% (0.94   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 232.0:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.42 +/- 0.15  99.975% * 98.0934% (0.19  10.0   2.96 232.04) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  11.86 +/- 2.93   0.024% *  0.4913% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  19.17 +/- 1.34   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  17.22 +/- 1.71   0.001% *  0.0981% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  25.55 +/- 1.85   0.000% *  0.4140% (0.79   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  33.49 +/- 1.78   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  34.26 +/- 3.20   0.000% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.59, residual support = 232.0:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.34 +/- 0.19  99.907% * 99.5374% (0.75  10.0 10.00   4.59 232.04) = 100.000%  kept
        T HG2   LYS+ 112 - HB3   ASP-  62  11.47 +/- 2.63   0.027% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  11.08 +/- 1.72   0.018% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   9.05 +/- 0.81   0.038% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - QE    LYS+ 112  12.75 +/- 2.26   0.008% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  14.58 +/- 0.99   0.002% *  0.0215% (0.16   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 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.436, support = 1.44, residual support = 8.45:
          QD1   ILE   56 - QE    LYS+ 112   4.57 +/- 2.38  74.259% * 84.1869% (0.44   1.45   8.53) =  99.052%  kept
          QG2   VAL   18 - HB3   ASP-  62   7.36 +/- 0.41  10.453% *  5.3159% (0.07   0.57   0.02) =   0.880%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.06 +/- 0.72  12.711% *  0.2378% (0.09   0.02   0.02) =   0.048%
          QG2   THR   46 - QE    LYS+ 112  11.32 +/- 2.36   0.718% *  0.6817% (0.26   0.02   0.02) =   0.008%
          QD2   LEU   73 - HB3   ASP-  62  12.44 +/- 0.85   0.442% *  0.3619% (0.14   0.02   0.02) =   0.003%
          QG2   VAL   18 - QE    LYS+ 112  12.67 +/- 2.54   0.160% *  0.9080% (0.34   0.02   0.02) =   0.002%
          QG2   THR   46 - HB3   ASP-  62  11.32 +/- 1.40   0.762% *  0.1395% (0.05   0.02   0.02) =   0.002%
          QG1   VAL   43 - QE    LYS+ 112  15.19 +/- 1.56   0.070% *  1.4289% (0.54   0.02   0.02) =   0.002%
          QD2   LEU   73 - QE    LYS+ 112  15.92 +/- 2.07   0.052% *  1.7686% (0.67   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB3   ASP-  62  13.70 +/- 0.88   0.246% *  0.2923% (0.11   0.02   0.02) =   0.001%
          QG1   VAL   41 - QE    LYS+ 112  18.48 +/- 1.81   0.022% *  1.8449% (0.70   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB3   ASP-  62  16.06 +/- 0.86   0.084% *  0.3775% (0.14   0.02   0.02) =   0.001%
          HG    LEU   31 - QE    LYS+ 112  23.25 +/- 2.08   0.006% *  2.0389% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  21.22 +/- 1.22   0.017% *  0.4172% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 8 structures by 1.03 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 232.0:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.99 +/- 0.40  92.796% * 98.8386% (0.81  10.0 10.00   4.65 232.04) =  99.998%  kept
          HG    LEU   63 - HB3   ASP-  62   5.36 +/- 1.13   6.672% *  0.0188% (0.15   1.0  1.00   0.02  42.45) =   0.001%
          HG    LEU   63 - QE    LYS+ 112  11.62 +/- 3.35   0.386% *  0.0918% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB3   ASP-  62  11.80 +/- 2.26   0.081% *  0.2022% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  10.93 +/- 0.76   0.047% *  0.0255% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QE    LYS+ 112  20.90 +/- 1.65   0.001% *  0.7827% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  18.01 +/- 1.52   0.003% *  0.0158% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  14.64 +/- 1.00   0.009% *  0.0052% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  21.15 +/- 0.83   0.001% *  0.0160% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  16.72 +/- 1.34   0.004% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.491, support = 0.0199, residual support = 0.0199:
        T QG2   VAL  107 - QE    LYS+ 112   6.88 +/- 0.88  28.924% * 59.7816% (0.51 10.00   0.02   0.02) =  91.623%  kept
          HG13  ILE  119 - QE    LYS+ 112   9.50 +/- 2.54  12.271% *  6.3761% (0.54  1.00   0.02   0.02) =   4.146%  kept
          HG13  ILE  119 - HB3   ASP-  62   6.07 +/- 1.91  55.225% *  1.3045% (0.11  1.00   0.02   0.02) =   3.817%  kept
          QG2   VAL  107 - HB3   ASP-  62   9.84 +/- 1.02   2.489% *  1.2231% (0.10  1.00   0.02   0.02) =   0.161%
          HG2   LYS+ 121 - QE    LYS+ 112  15.47 +/- 1.55   0.225% *  8.2327% (0.70  1.00   0.02   0.02) =   0.098%
          QB    ALA   20 - QE    LYS+ 112  17.12 +/- 2.31   0.163% *  9.8344% (0.83  1.00   0.02   0.02) =   0.085%
          QB    ALA   20 - HB3   ASP-  62  14.05 +/- 0.68   0.351% *  2.0121% (0.17  1.00   0.02   0.02) =   0.037%
          HG2   LYS+ 121 - HB3   ASP-  62  14.55 +/- 1.82   0.201% *  1.6844% (0.14  1.00   0.02   0.02) =   0.018%
          HG13  ILE  103 - QE    LYS+ 112  18.47 +/- 1.18   0.062% *  1.9506% (0.17  1.00   0.02   0.02) =   0.006%
          HB3   LEU   31 - QE    LYS+ 112  24.47 +/- 2.00   0.014% *  5.9782% (0.51  1.00   0.02   0.02) =   0.004%
          HG13  ILE  103 - HB3   ASP-  62  18.77 +/- 2.26   0.056% *  0.3991% (0.03  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB3   ASP-  62  22.35 +/- 1.05   0.018% *  1.2231% (0.10  1.00   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 18 structures by 1.97 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.718, support = 0.757, residual support = 2.24:
          QD    PHE   55 - QE    LYS+ 112   4.95 +/- 2.02  69.978% * 85.5185% (0.72   0.76   2.26) =  99.113%  kept
          QE    PHE   95 - HB3   ASP-  62   7.92 +/- 1.16  11.258% *  2.4109% (0.17   0.09   0.02) =   0.450%
          QE    PHE   95 - QE    LYS+ 112   7.68 +/- 1.90   8.419% *  2.5312% (0.82   0.02   0.02) =   0.353%
          HN    LEU   67 - HB3   ASP-  62   7.84 +/- 0.56   6.832% *  0.3418% (0.11   0.02   0.02) =   0.039%
          HD1   TRP   49 - QE    LYS+ 112  14.66 +/- 2.62   2.005% *  0.7970% (0.26   0.02   0.02) =   0.026%
          HN    LEU   67 - QE    LYS+ 112  16.01 +/- 3.38   0.370% *  1.6706% (0.54   0.02   0.02) =   0.010%
          QD    PHE   55 - HB3   ASP-  62  10.78 +/- 1.10   0.940% *  0.4583% (0.15   0.02   0.02) =   0.007%
          HE3   TRP   27 - QE    LYS+ 112  20.90 +/- 2.01   0.018% *  2.0678% (0.67   0.02   0.02) =   0.001%
          HN    THR   23 - QE    LYS+ 112  22.77 +/- 2.09   0.012% *  2.4922% (0.81   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  20.04 +/- 2.38   0.033% *  0.5110% (0.17   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  18.75 +/- 0.88   0.037% *  0.4231% (0.14   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  21.25 +/- 0.66   0.017% *  0.5099% (0.16   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  17.96 +/- 0.81   0.052% *  0.1046% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  19.82 +/- 1.43   0.029% *  0.1631% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 8 structures by 1.40 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 3.55, residual support = 23.3:
          HN    GLU- 114 - QB    ASP- 113   2.47 +/- 0.17  98.460% * 98.1521% (0.84   3.56  23.30) =  99.990%  kept
          HN    GLN  116 - QB    ASP- 113   5.18 +/- 0.13   1.276% *  0.6480% (0.98   0.02   1.50) =   0.009%
          HN    THR  118 - QB    ASP- 113   6.92 +/- 0.48   0.258% *  0.5293% (0.80   0.02   0.02) =   0.001%
          HN    PHE   60 - QB    ASP- 113  12.88 +/- 0.84   0.006% *  0.3743% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  20.94 +/- 0.95   0.000% *  0.2964% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 3.42, residual support = 14.2:
      O   HN    ASP- 113 - QB    ASP- 113   2.12 +/- 0.10  99.999% * 99.9821% (0.98  10.0   3.42  14.25) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  14.69 +/- 1.47   0.001% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   8.74 +/- 1.05  97.638% * 39.4133% (0.41 10.00   0.02   0.02) =  99.048%  kept
        T HB3   LYS+  99 - HA    ASP- 113  21.31 +/- 0.97   0.570% * 50.4393% (0.53 10.00   0.02   0.02) =   0.740%  kept
          HB    ILE   89 - HA    ASP- 113  20.74 +/- 1.02   0.784% *  8.8499% (0.92  1.00   0.02   0.02) =   0.179%
          HB    VAL   43 - HA    ASP- 113  19.46 +/- 0.73   1.009% *  1.2975% (0.14  1.00   0.02   0.02) =   0.034%
    Distance limit 3.60 A violated in 20 structures by 5.13 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.794, support = 4.03, residual support = 49.3:
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.04  58.459% * 54.6756% (0.84  10.0   3.65  44.18) =  88.350%  kept
      O   HN    GLN  116 - HA    LEU  115   3.63 +/- 0.01  12.777% * 29.5283% (0.45  10.0   7.42  98.74) =  10.428%  kept
          HN    GLN  116 - HA    GLU- 114   4.57 +/- 0.22   3.362% *  9.8475% (0.98   1.0   3.07   0.21) =   0.915%  kept
          HN    GLU- 114 - HA    LEU  115   5.05 +/- 0.14   1.782% *  5.7750% (0.38   1.0   4.59  16.00) =   0.285%
          HN    THR  118 - HA    LEU  115   3.54 +/- 0.25  16.204% *  0.0241% (0.37   1.0   0.02   0.02) =   0.011%
          HN    THR  118 - HA    GLU- 114   4.11 +/- 0.41   7.323% *  0.0524% (0.80   1.0   0.02   0.02) =   0.011%
          HN    PHE   60 - HA    LEU  115   8.59 +/- 0.69   0.085% *  0.0171% (0.26   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.96 +/- 0.64   0.006% *  0.0371% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.54 +/- 1.18   0.002% *  0.0135% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.87 +/- 0.99   0.001% *  0.0293% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.572, support = 6.79, residual support = 157.6:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.03  79.492% * 31.4756% (0.41  10.0   7.69 227.29) =  67.030%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.56 +/- 0.04  17.994% * 68.3936% (0.90  10.0   4.97  16.00) =  32.969%  kept
          HN    ASP- 113 - HA    GLU- 114   5.15 +/- 0.13   1.998% *  0.0212% (0.28   1.0   0.02  23.30) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.56 +/- 0.22   0.473% *  0.0098% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.36 +/- 0.82   0.034% *  0.0315% (0.41   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.68 +/- 0.70   0.009% *  0.0684% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 3.84, residual support = 44.2:
      O   HN    GLU- 114 - QB    GLU- 114   2.28 +/- 0.21  97.806% * 99.6664% (0.81  10.0   3.84  44.18) =  99.998%  kept
          HN    THR  118 - QB    GLU- 114   4.85 +/- 0.35   1.442% *  0.0955% (0.77   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - QB    GLU- 114   5.25 +/- 0.26   0.743% *  0.1170% (0.95   1.0   0.02   0.21) =   0.001%
          HN    PHE   60 - QB    GLU- 114  11.71 +/- 0.92   0.007% *  0.0676% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  17.99 +/- 0.99   0.001% *  0.0535% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.848, support = 4.83, residual support = 16.2:
          HN    LEU  115 - QB    GLU- 114   3.25 +/- 0.40  86.924% * 82.7226% (0.87   4.88  16.00) =  97.029%  kept
          HN    ASP- 113 - QB    GLU- 114   4.58 +/- 0.34  12.996% * 16.9382% (0.27   3.22  23.30) =   2.970%  kept
          HN    PHE   97 - QB    GLU- 114  10.69 +/- 0.79   0.080% *  0.3392% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.838, support = 4.41, residual support = 42.8:
          HN    GLU- 114 - QG    GLU- 114   2.61 +/- 0.38  92.467% * 52.1003% (0.83   4.44  44.18) =  96.908%  kept
          HN    GLN  116 - QG    GLU- 114   5.04 +/- 0.69   3.223% * 47.3898% (0.98   3.44   0.21) =   3.072%  kept
          HN    THR  118 - QG    GLU- 114   4.93 +/- 0.70   4.281% *  0.2250% (0.80   0.02   0.02) =   0.019%
          HN    PHE   60 - QG    GLU- 114  11.06 +/- 1.22   0.028% *  0.1591% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  17.65 +/- 1.23   0.001% *  0.1260% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 5.41, residual support = 16.0:
          HN    LEU  115 - QG    GLU- 114   2.84 +/- 0.94  99.894% * 98.4417% (0.45   5.41  16.00) = 100.000%  kept
          HN    PHE   97 - QG    GLU- 114  10.41 +/- 0.87   0.104% *  0.3638% (0.45   0.02   0.02) =   0.000%
          HN    ASN   35 - QG    GLU- 114  23.22 +/- 0.98   0.001% *  0.4269% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  31.75 +/- 1.85   0.000% *  0.7676% (0.94   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.978, support = 1.4, residual support = 4.48:
          QG1   VAL  107 - QG    GLU- 114   2.72 +/- 0.70  99.292% * 96.6081% (0.98   1.40   4.48) =  99.993%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.71 +/- 0.92   0.531% *  1.1778% (0.83   0.02   0.95) =   0.007%
          HG13  ILE  119 - QG    GLU- 114   8.33 +/- 1.43   0.172% *  0.3139% (0.22   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG    GLU- 114  19.23 +/- 1.34   0.002% *  1.3016% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  18.67 +/- 1.00   0.002% *  0.2469% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  20.51 +/- 0.95   0.001% *  0.3516% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 0.987, residual support = 4.48:
        T QG2   VAL  107 - QB    GLU- 114   3.62 +/- 0.82  98.320% * 98.9148% (0.59 10.00   0.99   4.48) =  99.996%  kept
          HG13  ILE  119 - QB    GLU- 114   8.74 +/- 0.90   0.994% *  0.2137% (0.62  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QB    GLU- 114   9.98 +/- 1.16   0.595% *  0.2760% (0.81  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - QB    GLU- 114  12.67 +/- 1.09   0.078% *  0.0654% (0.19  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    GLU- 114  18.77 +/- 0.86   0.008% *  0.3297% (0.96  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  20.88 +/- 1.16   0.004% *  0.2004% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 7 structures by 0.72 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.33, residual support = 227.3:
      O T HA    LEU  115 - HB3   LEU  115   2.42 +/- 0.25  99.325% * 97.8960% (0.92  10.0 10.00   6.33 227.29) =  99.997%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.20 +/- 0.33   0.487% *  0.4755% (0.45   1.0 10.00   0.02  16.00) =   0.002%
        T HA    ARG+  54 - HB3   LEU  115  11.32 +/- 0.89   0.011% *  0.8858% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   7.42 +/- 0.31   0.134% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  15.64 +/- 1.39   0.003% *  0.1149% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  11.13 +/- 1.35   0.018% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  14.52 +/- 3.31   0.011% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.64 +/- 1.25   0.001% *  0.0770% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  18.32 +/- 1.04   0.001% *  0.0558% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.21 +/- 0.42   0.003% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  16.92 +/- 0.58   0.001% *  0.0218% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  22.71 +/- 1.54   0.000% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  22.70 +/- 1.02   0.000% *  0.1003% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  22.76 +/- 1.53   0.000% *  0.0849% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  22.35 +/- 1.83   0.000% *  0.0643% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.23 +/- 0.12   0.004% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  20.60 +/- 1.22   0.000% *  0.0327% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.26 +/- 1.08   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  28.98 +/- 1.55   0.000% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  23.38 +/- 0.62   0.000% *  0.0038% (0.04   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 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.14, residual support = 227.3:
      O T QD1   LEU  115 - HB3   LEU  115   2.50 +/- 0.34  99.984% * 99.7570% (0.87  10.0 10.00   6.14 227.29) = 100.000%  kept
        T QD1   LEU  115 - HB3   LEU   40  14.29 +/- 1.87   0.007% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU  115  13.74 +/- 1.02   0.005% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  14.40 +/- 0.51   0.004% *  0.0132% (0.12   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 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.32, residual support = 227.3:
      O T QD2   LEU  115 - HB3   LEU  115   2.68 +/- 0.38  94.678% * 98.9032% (0.45  10.0 10.00   7.32 227.29) =  99.996%  kept
          QD1   LEU   63 - HB3   LEU  115   6.39 +/- 1.21   1.632% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB3   LEU  115   7.94 +/- 1.45   0.284% *  0.2036% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU   40   6.21 +/- 1.08   1.739% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   40   6.31 +/- 0.29   0.775% *  0.0097% (0.04   1.0  1.00   0.02  19.83) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   7.84 +/- 1.80   0.313% *  0.0239% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   8.87 +/- 0.71   0.114% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   8.91 +/- 1.26   0.092% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.38 +/- 0.68   0.328% *  0.0058% (0.03   1.0  1.00   0.02   9.81) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  13.33 +/- 1.68   0.012% *  0.1160% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  15.21 +/- 0.97   0.003% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  13.34 +/- 1.78   0.009% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  13.70 +/- 1.39   0.008% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  15.12 +/- 0.92   0.004% *  0.0828% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  17.48 +/- 1.24   0.002% *  0.0907% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  17.20 +/- 1.51   0.002% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  15.82 +/- 1.08   0.003% *  0.0106% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  16.30 +/- 1.23   0.002% *  0.0058% (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 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.956, support = 7.77, residual support = 92.8:
          HN    GLN  116 - HB3   LEU  115   3.72 +/- 0.52  41.310% * 68.9994% (0.98   8.11  98.74) =  93.272%  kept
          HN    GLU- 114 - HB3   LEU  115   5.38 +/- 0.54   5.193% * 25.6957% (0.84   3.54  16.00) =   4.366%  kept
          HN    LEU   71 - HB3   LEU   40   3.66 +/- 0.79  48.522% *  1.1560% (0.05   2.53   1.66) =   1.836%  kept
          HN    THR  118 - HB3   LEU  115   5.54 +/- 0.28   4.090% *  3.9079% (0.80   0.56   0.02) =   0.523%  kept
          HN    PHE   60 - HB3   LEU  115   7.58 +/- 1.24   0.855% *  0.0983% (0.57   0.02   0.02) =   0.003%
          HN    LEU   71 - HB3   LEU  115  17.39 +/- 1.67   0.005% *  0.0778% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  14.73 +/- 1.31   0.011% *  0.0163% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  15.06 +/- 1.06   0.010% *  0.0115% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  17.63 +/- 1.67   0.004% *  0.0200% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  20.05 +/- 1.16   0.002% *  0.0170% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 7.49, residual support = 227.3:
      O   HN    LEU  115 - HB3   LEU  115   2.99 +/- 0.43  98.165% * 99.8421% (0.90  10.0   7.49 227.29) =  99.999%  kept
          HN    ASP- 113 - HB3   LEU  115   5.99 +/- 0.65   1.680% *  0.0310% (0.28   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   LEU  115  11.88 +/- 1.20   0.043% *  0.0998% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.74 +/- 0.65   0.108% *  0.0117% (0.11   1.0   0.02   0.84) =   0.000%
          HN    LEU  115 - HB3   LEU   40  18.20 +/- 1.32   0.003% *  0.0117% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  21.77 +/- 1.39   0.001% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.24:
        T HA    LYS+ 112 - HB2   LEU  115   2.52 +/- 0.57  99.975% * 99.6055% (0.69 10.00   0.75   2.24) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  13.75 +/- 1.23   0.009% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  13.14 +/- 1.66   0.016% *  0.0765% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  22.65 +/- 1.53   0.000% *  0.1590% (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 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.945, support = 1.69, residual support = 7.21:
          QE    PHE   95 - HB2   LEU  115   4.82 +/- 1.10  73.711% * 43.5165% (0.98   1.50   8.47) =  69.201%  kept
          QD    PHE   55 - HB2   LEU  115   6.51 +/- 1.84  26.071% * 54.7555% (0.87   2.13   4.38) =  30.798%  kept
          HN    LEU   67 - HB2   LEU  115  15.31 +/- 1.25   0.118% *  0.3829% (0.65   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU  115  16.70 +/- 2.14   0.057% *  0.1827% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU  115  19.79 +/- 0.95   0.019% *  0.4740% (0.80   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  23.00 +/- 1.07   0.008% *  0.5713% (0.97   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  20.53 +/- 1.39   0.015% *  0.1171% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 8 structures by 0.88 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.786, support = 7.3, residual support = 96.1:
          HN    GLN  116 - HB2   LEU  115   3.07 +/- 0.49  84.987% * 80.3241% (0.80   7.41  98.74) =  96.761%  kept
          HN    GLU- 114 - HB2   LEU  115   4.47 +/- 0.30  11.955% * 19.0436% (0.34   4.12  16.00) =   3.227%  kept
          HN    THR  118 - HB2   LEU  115   5.63 +/- 0.23   2.656% *  0.2654% (0.98   0.02   0.02) =   0.010%
          HN    PHE   60 - HB2   LEU  115   8.34 +/- 1.04   0.402% *  0.2654% (0.98   0.02   0.02) =   0.002%
          HN    GLU-  15 - HB2   LEU  115  24.63 +/- 1.17   0.000% *  0.1016% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 7.38, residual support = 227.3:
      O   HN    LEU  115 - HB2   LEU  115   2.19 +/- 0.20  99.021% * 99.8692% (0.90  10.0   7.38 227.29) = 100.000%  kept
          HN    ASP- 113 - HB2   LEU  115   4.86 +/- 0.46   0.976% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   LEU  115  12.75 +/- 0.96   0.003% *  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 = 0.496, support = 5.45, residual support = 69.5:
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.04  58.397% * 15.8052% (0.19  10.0   3.65  44.18) =  50.647%  kept
      O   HN    GLN  116 - HA    LEU  115   3.63 +/- 0.01  12.763% * 67.7895% (0.82  10.0   7.42  98.74) =  47.477%  kept
          HN    GLU- 114 - HA    LEU  115   5.05 +/- 0.14   1.780% * 13.2580% (0.70   1.0   4.59  16.00) =   1.295%  kept
          HN    GLN  116 - HA    GLU- 114   4.57 +/- 0.22   3.359% *  2.8466% (0.22   1.0   3.07   0.21) =   0.525%  kept
          HN    THR  118 - HA    LEU  115   3.54 +/- 0.25  16.186% *  0.0554% (0.67   1.0   0.02   0.02) =   0.049%
          HN    THR  118 - HA    GLU- 114   4.11 +/- 0.41   7.315% *  0.0152% (0.18   1.0   0.02   0.02) =   0.006%
          HN    PHE   60 - HA    LEU  115   8.59 +/- 0.69   0.085% *  0.0392% (0.47   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    ARG+  54   8.46 +/- 0.89   0.097% *  0.0220% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  13.74 +/- 1.11   0.005% *  0.0380% (0.46   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  15.24 +/- 0.77   0.002% *  0.0324% (0.39   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.96 +/- 0.64   0.006% *  0.0107% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  16.22 +/- 1.03   0.002% *  0.0310% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.54 +/- 1.18   0.002% *  0.0310% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  21.48 +/- 1.63   0.000% *  0.0174% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.87 +/- 0.99   0.000% *  0.0085% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.717, support = 7.53, residual support = 215.0:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.03  79.483% * 78.3350% (0.75  10.0   7.69 227.29) =  94.167%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.56 +/- 0.04  17.992% * 21.4329% (0.20  10.0   4.97  16.00) =   5.832%  kept
          HN    ASP- 113 - HA    GLU- 114   5.15 +/- 0.13   1.998% *  0.0066% (0.06   1.0   0.02  23.30) =   0.000%
          HN    ASP- 113 - HA    LEU  115   6.56 +/- 0.22   0.473% *  0.0243% (0.23   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.36 +/- 0.82   0.034% *  0.0783% (0.75   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  13.52 +/- 0.75   0.006% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.68 +/- 0.70   0.009% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  14.38 +/- 0.94   0.005% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.10 +/- 1.53   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 = 7.49, residual support = 227.3:
          HN    LEU  115 - HG    LEU  115   3.81 +/- 0.69  91.346% * 99.4439% (0.78   7.49 227.29) =  99.992%  kept
          HN    ASP- 113 - HG    LEU  115   6.09 +/- 1.06   5.910% *  0.0823% (0.24   0.02   0.02) =   0.005%
          HN    PHE   97 - HG    LEU   40   7.76 +/- 0.76   2.562% *  0.0902% (0.26   0.02   0.84) =   0.003%
          HN    PHE   97 - HG    LEU  115  13.02 +/- 1.67   0.153% *  0.2655% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  16.79 +/- 1.32   0.023% *  0.0902% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  20.38 +/- 1.29   0.007% *  0.0280% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.36 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  10.55 +/- 0.95 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.76 A violated in 20 structures by 6.79 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 1.66, residual support = 6.77:
          QE    PHE   95 - QD1   LEU  115   3.13 +/- 0.77  74.615% * 31.7135% (0.57   1.50   8.47) =  58.317%  kept
          QD    PHE   55 - QD1   LEU  115   4.89 +/- 1.54  25.317% * 66.8060% (0.95   1.89   4.38) =  41.683%  kept
          HN    LEU   67 - QD1   LEU  115  11.77 +/- 1.16   0.056% *  0.1478% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - QD1   LEU  115  15.52 +/- 1.34   0.006% *  0.7321% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  17.87 +/- 1.50   0.003% *  0.3929% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  18.50 +/- 1.49   0.002% *  0.2077% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 1 structures by 0.15 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.51, residual support = 30.3:
          QD    PHE   59 - QD1   LEU  115   2.90 +/- 0.65  99.396% * 98.7292% (0.95   4.51  30.29) =  99.998%  kept
          HH2   TRP   49 - QD1   LEU  115  11.53 +/- 2.86   0.594% *  0.3865% (0.84   0.02   0.02) =   0.002%
          HE21  GLN   30 - QD1   LEU  115  16.48 +/- 1.76   0.005% *  0.4466% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  17.43 +/- 1.67   0.005% *  0.4377% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.28, residual support = 8.47:
          QD    PHE   95 - QD2   LEU  115   4.26 +/- 1.18  99.287% * 99.5019% (0.84   1.28   8.47) =  99.996%  kept
          HN    ALA   47 - QD2   LEU  115  11.15 +/- 1.42   0.713% *  0.4981% (0.27   0.02   0.02) =   0.004%
    Distance limit 3.38 A violated in 9 structures by 1.04 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.892, support = 2.86, residual support = 30.3:
          QE    PHE   59 - QD2   LEU  115   2.76 +/- 0.72  88.701% * 82.8020% (0.89   2.92  30.29) =  97.622%  kept
          HN    PHE   59 - QD2   LEU  115   4.91 +/- 1.02  10.892% * 16.4153% (0.93   0.55  30.29) =   2.376%  kept
          HN    HIS  122 - QD2   LEU  115   8.15 +/- 0.89   0.321% *  0.2759% (0.43   0.02   0.02) =   0.001%
          HN    LYS+  66 - QD2   LEU  115   9.84 +/- 1.24   0.077% *  0.2759% (0.43   0.02   0.02) =   0.000%
          HH2   TRP   87 - QD2   LEU  115  16.01 +/- 1.52   0.009% *  0.2309% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 1 structures by 0.19 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 3.94, residual support = 14.3:
        T QD1   ILE  119 - HA    GLN  116   3.34 +/- 0.74  99.360% * 99.5742% (0.61 10.00   3.94  14.35) = 100.000%  kept
          QD1   LEU   67 - HA    GLN  116  10.58 +/- 2.01   0.314% *  0.0560% (0.34  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  12.81 +/- 1.56   0.095% *  0.0616% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  11.32 +/- 0.56   0.125% *  0.0325% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  13.97 +/- 1.26   0.042% *  0.0507% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  13.11 +/- 1.08   0.049% *  0.0409% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  18.72 +/- 1.70   0.006% *  0.1553% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  16.79 +/- 1.59   0.009% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 2 structures by 0.37 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.922, support = 6.29, residual support = 98.7:
          QD2   LEU  115 - HA    GLN  116   2.89 +/- 1.22  80.574% * 98.5607% (0.92   6.29  98.74) =  99.927%  kept
          QD1   LEU   63 - HA    GLN  116   5.89 +/- 1.74  15.825% *  0.3326% (0.98   0.02   0.02) =   0.066%
          QD2   LEU   63 - HA    GLN  116   6.55 +/- 1.63   3.590% *  0.1521% (0.45   0.02   0.02) =   0.007%
          QD1   LEU  104 - HA    GLN  116  13.04 +/- 1.55   0.008% *  0.2331% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  16.46 +/- 1.06   0.002% *  0.3326% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  20.09 +/- 1.28   0.000% *  0.3043% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  19.70 +/- 1.16   0.000% *  0.0846% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 3 structures by 0.31 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.36, residual support = 14.3:
          HN    ILE  119 - HA    GLN  116   3.35 +/- 0.19  99.994% * 96.9996% (0.57   2.36  14.35) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  20.73 +/- 1.18   0.002% *  1.3987% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  19.94 +/- 0.92   0.002% *  0.4944% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  25.56 +/- 1.46   0.001% *  0.8205% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  25.62 +/- 1.83   0.001% *  0.2868% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 6.94, residual support = 113.0:
      O   HN    GLN  116 - HA    GLN  116   2.76 +/- 0.04  91.637% * 90.2669% (0.98  10.0   6.98 114.04) =  99.097%  kept
          HN    THR  118 - HA    GLN  116   4.24 +/- 0.34   7.876% *  9.5627% (0.80   1.0   2.59   0.02) =   0.902%  kept
          HN    GLU- 114 - HA    GLN  116   7.01 +/- 0.16   0.345% *  0.0769% (0.84   1.0   0.02   0.21) =   0.000%
          HN    PHE   60 - HA    GLN  116   8.48 +/- 0.92   0.139% *  0.0521% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  16.79 +/- 1.77   0.002% *  0.0413% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HB2   GLN  116   3.44 +/- 0.38  99.433% * 66.5564% (0.49  1.00   0.75   1.50) =  99.958%  kept
          HA    ILE   56 - HB2   GLN  116   9.34 +/- 1.08   0.416% *  3.5189% (0.97  1.00   0.02   0.02) =   0.022%
        T HA    PRO   58 - HB2   GLN  116  12.09 +/- 1.01   0.070% * 14.9903% (0.41 10.00   0.02   0.02) =   0.016%
          HA    LEU  123 - HB2   GLN  116  12.05 +/- 0.71   0.072% *  3.6382% (1.00  1.00   0.02   0.02) =   0.004%
          HA    LYS+  99 - HB2   GLN  116  20.69 +/- 1.35   0.003% *  3.0456% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  20.44 +/- 1.64   0.003% *  2.0644% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  27.63 +/- 1.50   0.000% *  3.4492% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  23.85 +/- 1.46   0.001% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  29.61 +/- 1.95   0.000% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 7.01, residual support = 98.6:
          QD2   LEU  115 - HB2   GLN  116   4.14 +/- 1.13  81.649% * 97.5321% (0.45   7.01  98.74) =  99.881%  kept
          QD1   LEU   63 - HB2   GLN  116   8.01 +/- 1.85  12.493% *  0.4967% (0.80   0.02   0.02) =   0.078%
          QD2   LEU   63 - HB2   GLN  116   8.68 +/- 1.86   5.749% *  0.5726% (0.92   0.02   0.02) =   0.041%
          QD1   LEU  104 - HB2   GLN  116  14.72 +/- 1.34   0.051% *  0.1381% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  18.51 +/- 0.98   0.012% *  0.4967% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  16.35 +/- 1.56   0.024% *  0.1381% (0.22   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  17.99 +/- 0.76   0.013% *  0.2328% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  21.68 +/- 1.25   0.004% *  0.2550% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  21.42 +/- 1.60   0.005% *  0.1381% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 4 structures by 0.56 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 6.64, residual support = 98.7:
          QD2   LEU  115 - HG2   GLN  116   3.60 +/- 1.60  78.817% * 98.7330% (1.00   6.64  98.74) =  99.947%  kept
          QD1   LEU   63 - HG2   GLN  116   6.83 +/- 2.26  14.753% *  0.2483% (0.84   0.02   0.02) =   0.047%
          QD2   LEU   63 - HG2   GLN  116   7.41 +/- 2.28   6.412% *  0.0741% (0.25   0.02   0.02) =   0.006%
          QD1   LEU  104 - HG2   GLN  116  14.58 +/- 1.77   0.013% *  0.2666% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  17.57 +/- 1.32   0.003% *  0.2483% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  21.06 +/- 1.36   0.001% *  0.2966% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  20.86 +/- 1.24   0.001% *  0.1333% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 4 structures by 0.62 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.39, residual support = 114.0:
      O   HE21  GLN  116 - HG2   GLN  116   2.59 +/- 0.53  97.031% * 99.6673% (0.65  10.0   4.39 114.04) =  99.999%  kept
          HN    ALA  120 - HG2   GLN  116   5.39 +/- 0.90   2.837% *  0.0428% (0.28   1.0   0.02   0.26) =   0.001%
          HN    ALA   57 - HG2   GLN  116   9.89 +/- 1.83   0.131% *  0.1119% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  24.49 +/- 1.95   0.000% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  28.78 +/- 2.00   0.000% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.802, support = 6.94, residual support = 113.3:
          HN    GLN  116 - HG2   GLN  116   3.50 +/- 0.37  94.044% * 87.3290% (0.80   6.98 114.04) =  99.354%  kept
          HN    THR  118 - HG2   GLN  116   6.15 +/- 0.45   4.376% * 12.1406% (0.98   0.79   0.02) =   0.643%  kept
          HN    PHE   60 - HG2   GLN  116   8.89 +/- 1.10   0.575% *  0.3064% (0.98   0.02   0.02) =   0.002%
          HN    GLU- 114 - HG2   GLN  116   7.60 +/- 0.61   1.004% *  0.1066% (0.34   0.02   0.21) =   0.001%
          HN    GLU-  15 - HG2   GLN  116  23.38 +/- 1.75   0.002% *  0.1173% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.664, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HB2   GLN  116   8.42 +/- 1.00  53.802% * 15.3326% (0.76   0.02   0.02) =  69.857%  kept
          QD    PHE   55 - HB2   GLN  116   9.05 +/- 1.93  42.826% *  6.8436% (0.34   0.02   0.02) =  24.819%  kept
          HN    LEU   67 - HB2   GLN  116  14.95 +/- 1.18   2.695% * 20.0629% (1.00   0.02   0.02) =   4.579%  kept
          HD1   TRP   49 - HB2   GLN  116  21.11 +/- 2.32   0.302% * 16.7579% (0.84   0.02   0.02) =   0.429%
          HD2   HIS   22 - HB2   GLN  116  24.03 +/- 1.61   0.119% * 13.7814% (0.69   0.02   0.02) =   0.139%
          HN    THR   23 - HB2   GLN  116  26.63 +/- 1.26   0.063% * 16.0651% (0.80   0.02   0.02) =   0.085%
          HE3   TRP   27 - HB2   GLN  116  23.01 +/- 0.90   0.153% *  5.5782% (0.28   0.02   0.02) =   0.072%
          HD21  ASN   35 - HB2   GLN  116  29.47 +/- 1.76   0.039% *  5.5782% (0.28   0.02   0.02) =   0.019%
    Distance limit 3.71 A violated in 20 structures by 3.79 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 = 114.0:
      O   HN    GLN  116 - HB2   GLN  116   2.08 +/- 0.06  99.295% * 99.7303% (0.98  10.0   7.57 114.04) =  99.999%  kept
          HN    THR  118 - HB2   GLN  116   5.33 +/- 0.25   0.376% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   GLN  116   5.49 +/- 0.33   0.321% *  0.0850% (0.84   1.0   0.02   0.21) =   0.000%
          HN    PHE   60 - HB2   GLN  116  10.41 +/- 1.02   0.007% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  19.54 +/- 1.71   0.000% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.84, residual support = 27.1:
          HN    SER  117 - HB2   GLN  116   3.15 +/- 0.22  99.999% * 99.5563% (0.98   4.84  27.11) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  21.71 +/- 1.53   0.001% *  0.3503% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  28.28 +/- 1.08   0.000% *  0.0934% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.84, residual support = 27.1:
      O   HN    SER  117 - HA    GLN  116   3.60 +/- 0.03  99.994% * 99.8922% (0.98  10.0   4.84  27.11) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  18.99 +/- 1.39   0.005% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  26.81 +/- 1.08   0.001% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.24, residual support = 6.25:
        T QB    ALA  120 - HA    SER  117   2.59 +/- 0.37  96.675% * 99.2618% (0.92 10.00   2.24   6.25) =  99.999%  kept
          HD2   LYS+ 121 - HA    SER  117   5.61 +/- 1.49   3.022% *  0.0188% (0.18  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HA    SER  117   8.23 +/- 0.90   0.152% *  0.0993% (0.92  1.00   0.02   1.72) =   0.000%
          HB3   LEU  115 - HA    SER  117   8.08 +/- 0.36   0.136% *  0.0404% (0.38  1.00   0.02   1.72) =   0.000%
          HB3   LEU   40 - HA    SER  117  16.31 +/- 1.64   0.003% *  0.1075% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    SER  117  14.51 +/- 2.44   0.005% *  0.0523% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  15.05 +/- 1.64   0.005% *  0.0404% (0.38  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  22.67 +/- 0.61   0.000% *  0.2990% (0.28 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  20.67 +/- 1.05   0.001% *  0.0566% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.38 +/- 1.24   0.001% *  0.0239% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.41, support = 1.23, residual support = 13.7:
          HN    ALA  120 - HA    SER  117   3.51 +/- 0.28  92.122% * 13.0002% (0.28   0.75   6.25) =  64.295%  kept
          HE21  GLN  116 - HA    SER  117   6.02 +/- 1.26   7.856% * 84.6538% (0.65   2.10  27.11) =  35.704%  kept
          HN    ALA   57 - HA    SER  117  14.57 +/- 1.35   0.020% *  0.9054% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  25.25 +/- 2.20   0.001% *  1.2222% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  27.14 +/- 1.86   0.001% *  0.2184% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 3.53, residual support = 15.0:
      O   HN    SER  117 - HA    SER  117   2.74 +/- 0.04  99.999% * 99.9049% (0.57  10.0   3.53  15.01) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  21.38 +/- 1.27   0.000% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  24.89 +/- 0.95   0.000% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.202, support = 0.0198, residual support = 0.0198:
          HN    LYS+  81 - QB    SER   85   6.98 +/- 0.24  51.960% *  3.4992% (0.12   0.02   0.02) =  39.783%  kept
          QE    PHE   95 - QB    SER  117   8.37 +/- 1.34  22.902% *  4.5788% (0.15   0.02   0.02) =  22.945%  kept
          QD    PHE   55 - QB    SER  117  11.05 +/- 1.49   3.840% * 14.4446% (0.49   0.02   0.02) =  12.136%  kept
          HN    LYS+  81 - QB    SER   48  10.17 +/- 1.53   7.466% *  5.8981% (0.20   0.02   0.02) =   9.635%  kept
          QD    PHE   60 - QB    SER  117  11.56 +/- 1.26   3.247% * 12.2000% (0.41   0.02   0.02) =   8.668%  kept
          QD    PHE   55 - QB    SER   48  12.75 +/- 2.03   3.222% *  3.7566% (0.13   0.02   0.02) =   2.648%  kept
          QD    PHE   60 - QB    SER   48  12.00 +/- 1.37   2.421% *  3.1728% (0.11   0.02   0.02) =   1.681%  kept
          HE3   TRP   27 - QB    SER   85  13.04 +/- 1.11   1.470% *  2.5923% (0.09   0.02   0.02) =   0.834%  kept
          QE    PHE   95 - QB    SER   48  12.22 +/- 1.07   1.962% *  1.1908% (0.04   0.02   0.02) =   0.511%  kept
          HE3   TRP   27 - QB    SER   48  15.94 +/- 1.43   0.439% *  4.3694% (0.15   0.02   0.02) =   0.420%
          HE3   TRP   27 - QB    SER  117  19.94 +/- 0.68   0.095% * 16.8009% (0.57   0.02   0.02) =   0.348%
          QD    PHE   60 - QB    SER   85  16.42 +/- 0.56   0.310% *  1.8824% (0.06   0.02   0.02) =   0.128%
          HN    LYS+  81 - QB    SER  117  24.81 +/- 1.10   0.025% * 22.6789% (0.76   0.02   0.02) =   0.126%
          QE    PHE   95 - QB    SER   85  15.02 +/- 0.54   0.527% *  0.7065% (0.02   0.02   0.02) =   0.081%
          QD    PHE   55 - QB    SER   85  19.35 +/- 0.80   0.114% *  2.2287% (0.08   0.02   0.02) =   0.056%
    Distance limit 3.77 A violated in 20 structures by 2.43 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.78, residual support = 37.2:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   3.78  37.24) = 100.000%  kept
    Distance limit 3.06 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 = 0.964, support = 1.66, residual support = 6.26:
          QG1   VAL  107 - HB    THR  118   2.18 +/- 0.58  96.817% * 58.8749% (0.98   1.59   5.53) =  97.863%  kept
          HG13  ILE  119 - HB    THR  118   4.85 +/- 0.63   3.152% * 39.4800% (0.22   4.71  39.54) =   2.137%  kept
          HD3   LYS+ 112 - HB    THR  118  10.85 +/- 1.39   0.030% *  0.6295% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    THR  118  20.14 +/- 1.26   0.000% *  0.6957% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  19.64 +/- 1.15   0.000% *  0.1879% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  19.38 +/- 0.91   0.000% *  0.1320% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.486, support = 1.76, residual support = 10.7:
          QE    PHE   59 - HB    THR  118   3.74 +/- 1.69  90.750% * 43.5034% (0.45   1.84  11.65) =  91.674%  kept
          HN    HIS  122 - HB    THR  118   7.41 +/- 0.25   8.451% * 41.1745% (0.92   0.85   0.35) =   8.080%  kept
          HN    PHE   59 - HB    THR  118   9.78 +/- 1.18   0.731% * 14.4090% (0.84   0.33  11.65) =   0.245%
          HH2   TRP   87 - HB    THR  118  16.95 +/- 1.13   0.068% *  0.9130% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 6 structures by 0.59 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.6, residual support = 37.2:
      O   HN    THR  118 - HB    THR  118   2.16 +/- 0.18  99.231% * 99.7459% (0.98  10.0   3.60  37.24) =  99.999%  kept
          HN    GLN  116 - HB    THR  118   5.16 +/- 0.34   0.630% *  0.0815% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB    THR  118   6.86 +/- 0.55   0.113% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB    THR  118   9.39 +/- 1.13   0.026% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  22.66 +/- 1.35   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 3.78, residual support = 37.2:
      O T QG2   THR  118 - HA    THR  118   2.62 +/- 0.20 100.000% *100.0000% (0.14  10.0 10.00   3.78  37.24) = 100.000%  kept
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.77, support = 2.1, residual support = 11.0:
          QG1   VAL  107 - HA    THR  118   3.89 +/- 0.11  93.574% * 25.7868% (0.88  1.00   1.59   5.53) =  83.877%  kept
        T HG13  ILE  119 - HA    THR  118   6.20 +/- 0.41   6.311% * 73.4926% (0.20 10.00   4.72  39.54) =  16.122%  kept
          HD3   LYS+ 112 - HA    THR  118  12.97 +/- 1.29   0.100% *  0.2757% (0.75  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    THR  118  21.20 +/- 1.31   0.004% *  0.3047% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    THR  118  19.47 +/- 1.19   0.007% *  0.0823% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    THR  118  20.23 +/- 0.94   0.005% *  0.0578% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.45 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.59, support = 2.22, residual support = 6.3:
          HD2   LYS+ 121 - HA    THR  118   2.85 +/- 1.25  73.154% * 30.5705% (0.89  1.00   2.25   6.30) =  55.146%  kept
        T HB3   LYS+ 121 - HA    THR  118   3.86 +/- 0.37  26.656% * 68.2380% (0.22 10.00   2.19   6.30) =  44.854%  kept
          QD    LYS+  66 - HA    THR  118  11.71 +/- 2.23   0.040% *  0.1987% (0.65  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118  10.45 +/- 0.89   0.052% *  0.0682% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118   9.88 +/- 1.03   0.071% *  0.0479% (0.16  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.48 +/- 1.77   0.004% *  0.2737% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  12.69 +/- 1.19   0.015% *  0.0609% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  17.88 +/- 1.16   0.002% *  0.2286% (0.75  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  19.55 +/- 0.73   0.001% *  0.2712% (0.89  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  16.60 +/- 1.23   0.004% *  0.0422% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.68, support = 0.0199, residual support = 39.2:
        T HB    ILE  119 - HA    THR  118   5.83 +/- 0.14  93.702% * 57.0728% (0.69 10.00   0.02  39.54) =  99.277%  kept
          HB2   PRO   93 - HA    THR  118  12.11 +/- 2.65   3.100% *  7.0645% (0.85  1.00   0.02   0.02) =   0.407%
          HB    VAL  108 - HA    THR  118  11.12 +/- 0.40   2.039% *  7.0645% (0.85  1.00   0.02   0.02) =   0.267%
          HG2   PRO   58 - HA    THR  118  14.14 +/- 1.26   0.543% *  1.3079% (0.16  1.00   0.02   0.02) =   0.013%
          HB3   GLU- 100 - HA    THR  118  18.43 +/- 1.12   0.101% *  5.1298% (0.62  1.00   0.02   0.02) =   0.010%
          HB2   ARG+  54 - HA    THR  118  19.87 +/- 1.09   0.065% *  7.3202% (0.88  1.00   0.02   0.02) =   0.009%
          HB2   GLN   30 - HA    THR  118  19.85 +/- 0.99   0.065% *  5.7073% (0.69  1.00   0.02   0.02) =   0.007%
          HB3   PRO   68 - HA    THR  118  16.65 +/- 1.86   0.232% *  1.1523% (0.14  1.00   0.02   0.02) =   0.005%
          HG3   GLN   30 - HA    THR  118  21.79 +/- 1.36   0.038% *  3.3482% (0.40  1.00   0.02   0.02) =   0.002%
          HG3   PRO   52 - HA    THR  118  19.57 +/- 2.46   0.095% *  1.3079% (0.16  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HA    THR  118  25.41 +/- 2.10   0.018% *  1.6626% (0.20  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HA    THR  118  33.41 +/- 2.37   0.003% *  1.8622% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 20 structures by 2.07 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 0.02, residual support = 39.5:
        T HG12  ILE  119 - HA    THR  118   5.12 +/- 0.21  99.334% * 44.9828% (0.40 10.00   0.02  39.54) =  99.865%  kept
          HB2   ASP-  44 - HA    THR  118  13.28 +/- 1.00   0.355% *  9.4912% (0.85  1.00   0.02   0.02) =   0.075%
          HB3   PHE   72 - HA    THR  118  14.67 +/- 0.91   0.194% *  8.7032% (0.78  1.00   0.02   0.02) =   0.038%
          QG    GLU-  15 - HA    THR  118  18.96 +/- 1.56   0.044% *  9.9446% (0.89  1.00   0.02   0.02) =   0.010%
          QG    GLN   90 - HA    THR  118  18.60 +/- 1.34   0.048% *  8.0341% (0.72  1.00   0.02   0.02) =   0.009%
          QG    GLU-  14 - HA    THR  118  22.89 +/- 1.72   0.015% *  9.2620% (0.83  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - HA    THR  118  29.50 +/- 2.11   0.003% *  8.0341% (0.72  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    THR  118  25.58 +/- 0.93   0.007% *  1.5481% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 20 structures by 1.35 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.0, residual support = 37.2:
      O T HB    THR  118 - HA    THR  118   3.01 +/- 0.06  99.924% * 99.8099% (0.72  10.0 10.00   3.00  37.24) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  10.54 +/- 1.07   0.069% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  16.71 +/- 1.02   0.004% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  17.84 +/- 1.09   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  21.96 +/- 1.36   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  24.21 +/- 1.74   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.842, support = 0.0198, residual support = 11.6:
          QD    PHE   59 - HA    THR  118   7.32 +/- 0.99  99.194% * 25.6201% (0.85   0.02  11.65) =  99.214%  kept
          HE21  GLN   30 - HA    THR  118  19.62 +/- 1.57   0.353% * 26.1376% (0.87   0.02   0.02) =   0.360%
          HD1   TRP   27 - HA    THR  118  21.18 +/- 1.22   0.223% * 25.6201% (0.85   0.02   0.02) =   0.223%
          HH2   TRP   49 - HA    THR  118  21.01 +/- 2.88   0.230% * 22.6222% (0.75   0.02   0.02) =   0.203%
    Distance limit 3.42 A violated in 20 structures by 3.90 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.47, support = 0.0199, residual support = 0.0199:
          HN    LEU  123 - HA    THR  118   7.32 +/- 0.21  99.522% * 43.4534% (0.47   0.02   0.02) =  99.639%  kept
          HZ2   TRP   49 - HA    THR  118  20.27 +/- 2.30   0.330% * 40.2018% (0.44   0.02   0.02) =   0.305%
          HE21  GLN   17 - HA    THR  118  22.11 +/- 1.35   0.148% * 16.3448% (0.18   0.02   0.02) =   0.056%
    Distance limit 3.80 A violated in 20 structures by 3.52 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.3, residual support = 39.5:
      O   HN    ILE  119 - HA    THR  118   3.56 +/- 0.05  99.987% * 99.6357% (0.51  10.0   5.30  39.54) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  20.66 +/- 0.98   0.003% *  0.1698% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  17.74 +/- 0.86   0.007% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  22.56 +/- 0.89   0.002% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  22.20 +/- 1.15   0.002% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.61, residual support = 37.2:
      O   HN    THR  118 - HA    THR  118   2.82 +/- 0.04  99.523% * 99.6520% (0.51  10.0   3.61  37.24) = 100.000%  kept
          HN    GLN  116 - HA    THR  118   6.93 +/- 0.17   0.455% *  0.0543% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    THR  118  11.69 +/- 0.99   0.022% *  0.1409% (0.72   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  23.06 +/- 1.38   0.000% *  0.1527% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 68.07 ppm):
    7 chemical-shift based assignments, quality = 0.379, support = 3.05, residual support = 37.3:
      O T HA    THR  118 - HB    THR  118   3.01 +/- 0.06  93.662% * 73.6989% (0.38  10.0 10.00   3.00  37.24) =  97.708%  kept
          HA    ILE  119 - HB    THR  118   4.80 +/- 0.29   6.257% * 25.8825% (0.53   1.0  1.00   5.01  39.54) =   2.292%  kept
          HD3   PRO   58 - HB    THR  118  11.37 +/- 1.11   0.039% *  0.0956% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB    THR  118  11.38 +/- 0.80   0.036% *  0.0303% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  17.71 +/- 0.87   0.002% *  0.1501% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  17.62 +/- 0.79   0.002% *  0.0546% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  21.95 +/- 1.88   0.001% *  0.0880% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.534, support = 3.76, residual support = 13.7:
          QG1   VAL  107 - QG2   THR  118   2.33 +/- 0.72  86.884% * 32.0736% (0.51   3.21   5.53) =  76.085%  kept
          HG13  ILE  119 - QG2   THR  118   4.08 +/- 0.79  13.086% * 66.9344% (0.62   5.52  39.54) =  23.915%  kept
          HD3   LYS+ 112 - QG2   THR  118  10.69 +/- 1.22   0.019% *  0.3406% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  14.56 +/- 0.91   0.004% *  0.2563% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  15.70 +/- 1.04   0.002% *  0.3165% (0.80   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  13.97 +/- 0.90   0.005% *  0.0786% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.254, support = 1.59, residual support = 4.74:
        T HB3   ASP- 105 - QG2   THR  118   3.43 +/- 1.05  89.089% * 81.6161% (0.25 10.00   1.59   4.77) =  98.219%  kept
          QB    LYS+ 106 - QG2   THR  118   5.29 +/- 0.85   8.194% * 15.9952% (0.51  1.00   1.53   2.80) =   1.770%  kept
          HB    ILE   56 - QG2   THR  118   8.67 +/- 1.14   1.625% *  0.3485% (0.85  1.00   0.02   0.02) =   0.008%
          HB3   PRO   58 - QG2   THR  118  11.54 +/- 1.40   0.309% *  0.2531% (0.62  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QG2   THR  118  11.95 +/- 1.12   0.204% *  0.3196% (0.78  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QG2   THR  118   9.65 +/- 1.40   0.296% *  0.0820% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   THR  118  14.86 +/- 0.75   0.035% *  0.3556% (0.87  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   THR  118  12.59 +/- 1.88   0.104% *  0.0729% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  15.91 +/- 1.05   0.018% *  0.3676% (0.89  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  15.13 +/- 0.92   0.036% *  0.1652% (0.40  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  14.74 +/- 1.20   0.052% *  0.0919% (0.22  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  15.63 +/- 0.57   0.025% *  0.1383% (0.34  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  17.37 +/- 0.65   0.013% *  0.1939% (0.47  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 3 structures by 0.39 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.617, support = 3.05, residual support = 17.6:
        T HB2   ASP- 105 - QG2   THR  118   3.38 +/- 1.26  48.536% * 64.0362% (0.51 10.00   1.59   4.77) =  63.216%  kept
          HG12  ILE  119 - QG2   THR  118   3.15 +/- 0.58  51.226% * 35.3050% (0.80  1.00   5.55  39.54) =  36.784%  kept
          HB2   ASP-  44 - QG2   THR  118   8.53 +/- 0.90   0.154% *  0.0533% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   THR  118  10.16 +/- 0.90   0.051% *  0.0691% (0.44  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  12.62 +/- 1.08   0.012% *  0.1311% (0.83  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  13.66 +/- 0.87   0.006% *  0.0804% (0.51  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  14.43 +/- 1.42   0.005% *  0.0395% (0.25  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  17.53 +/- 1.58   0.003% *  0.0584% (0.37  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  14.65 +/- 1.06   0.003% *  0.0395% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  16.43 +/- 1.11   0.002% *  0.0484% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  19.20 +/- 0.66   0.001% *  0.1392% (0.88  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.371, support = 4.14, residual support = 37.8:
      O T HA    THR  118 - QG2   THR  118   2.62 +/- 0.20  80.319% * 41.5367% (0.34  10.0 10.00   3.78  37.24) =  74.494%  kept
        T HA    ILE  119 - QG2   THR  118   3.47 +/- 0.32  19.617% * 58.2274% (0.47   1.0 10.00   5.20  39.54) =  25.506%  kept
          HD3   PRO   58 - QG2   THR  118  10.02 +/- 1.00   0.031% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QG2   THR  118  10.30 +/- 0.84   0.024% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  13.71 +/- 0.72   0.004% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  13.85 +/- 0.60   0.004% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  18.55 +/- 1.46   0.001% *  0.0496% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.78, residual support = 37.2:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  99.741% * 99.8099% (0.72  10.0 10.00   3.78  37.24) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   6.67 +/- 1.24   0.253% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  11.92 +/- 0.68   0.004% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  13.61 +/- 0.71   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  17.09 +/- 0.88   0.000% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  18.95 +/- 1.40   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.889, support = 0.02, residual support = 0.339:
          HD2   HIS  122 - QG2   THR  118   4.55 +/- 0.63  93.238% * 35.9169% (0.90   0.02   0.35) =  95.369%  kept
          HE22  GLN  116 - QG2   THR  118   8.60 +/- 1.02   3.194% * 35.8372% (0.89   0.02   0.02) =   3.260%  kept
          QD    PHE   45 - QG2   THR  118   8.46 +/- 0.70   3.523% * 13.4800% (0.34   0.02   0.02) =   1.353%  kept
          HE22  GLN   17 - QG2   THR  118  17.57 +/- 1.51   0.045% * 14.7659% (0.37   0.02   0.02) =   0.019%
    Distance limit 2.98 A violated in 17 structures by 1.52 A, eliminated.
    Peak unassigned.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 3.9, residual support = 11.6:
          QD    PHE   59 - QG2   THR  118   4.76 +/- 1.18  99.366% * 98.5329% (0.85   3.90  11.65) =  99.997%  kept
          HE21  GLN   30 - QG2   THR  118  14.21 +/- 1.33   0.305% *  0.5155% (0.87   0.02   0.02) =   0.002%
          HD1   TRP   27 - QG2   THR  118  15.40 +/- 0.88   0.199% *  0.5053% (0.85   0.02   0.02) =   0.001%
          HH2   TRP   49 - QG2   THR  118  15.78 +/- 2.32   0.129% *  0.4462% (0.75   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 10 structures by 1.39 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.2, residual support = 39.5:
        T QG2   THR  118 - HA    ILE  119   3.47 +/- 0.32 100.000% *100.0000% (0.57 10.00   5.20  39.54) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.513, support = 4.37, residual support = 35.1:
          QB    ALA  120 - HA    ILE  119   5.01 +/- 0.02  44.345% * 54.0929% (0.45   5.23  55.67) =  58.637%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.22 +/- 0.61  38.263% * 44.1524% (0.61   3.15   5.93) =  41.297%  kept
          QD    LYS+  66 - HA    ILE  119   7.94 +/- 2.41  11.390% *  0.1151% (0.25   0.02   0.02) =   0.032%
          HG    LEU  115 - HA    ILE  119   8.17 +/- 1.20   4.701% *  0.2070% (0.45   0.02   8.14) =   0.024%
          HB3   LEU   40 - HA    ILE  119  10.92 +/- 1.81   0.929% *  0.3171% (0.69   0.02   0.02) =   0.007%
          HG2   LYS+  65 - HA    ILE  119  12.14 +/- 1.60   0.292% *  0.3171% (0.69   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    ILE  119  15.43 +/- 0.91   0.057% *  0.4455% (0.97   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    ILE  119  17.99 +/- 0.89   0.023% *  0.3528% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 6 structures by 0.72 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 0.0199, residual support = 21.9:
          QD    PHE   59 - HA    ILE  119   5.43 +/- 0.65  99.739% * 25.6201% (0.95   0.02  21.96) =  99.740%  kept
          HE21  GLN   30 - HA    ILE  119  17.51 +/- 1.59   0.170% * 26.1376% (0.97   0.02   0.02) =   0.173%
          HD1   TRP   27 - HA    ILE  119  20.75 +/- 1.46   0.049% * 25.6201% (0.95   0.02   0.02) =   0.049%
          HH2   TRP   49 - HA    ILE  119  21.26 +/- 2.60   0.042% * 22.6222% (0.84   0.02   0.02) =   0.037%
    Distance limit 3.21 A violated in 20 structures by 2.22 A, eliminated.
    Peak unassigned.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.72, residual support = 258.8:
      O   HN    ILE  119 - HA    ILE  119   2.85 +/- 0.01  99.996% * 99.7485% (0.98  10.0   8.72 258.82) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  18.44 +/- 0.91   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  19.09 +/- 1.22   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  20.77 +/- 1.77   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  21.20 +/- 1.60   0.001% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.199, support = 6.05, residual support = 53.6:
      O   HN    ALA  120 - HA    ILE  119   3.63 +/- 0.01  90.136% * 72.3348% (0.18  10.0   6.23  55.67) =  96.204%  kept
          HN    LEU  123 - HA    ILE  119   5.30 +/- 0.22   9.577% * 26.8473% (0.80   1.0   1.62   0.02) =   3.794%  kept
          HN    ALA  124 - HA    ILE  119   9.52 +/- 0.30   0.281% *  0.4049% (0.98   1.0   0.02   0.02) =   0.002%
          HE21  GLN   17 - HA    ILE  119  18.01 +/- 1.06   0.007% *  0.4130% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 2.7, residual support = 14.3:
          HA    GLN  116 - HB    ILE  119   3.01 +/- 0.77  99.951% * 96.7726% (0.84   2.70  14.35) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  14.21 +/- 1.77   0.016% *  0.7174% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  14.75 +/- 1.00   0.015% *  0.3911% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  15.49 +/- 1.27   0.013% *  0.2294% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  21.88 +/- 2.08   0.001% *  0.4809% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  24.97 +/- 1.76   0.000% *  0.5398% (0.63   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  21.95 +/- 1.36   0.002% *  0.1147% (0.13   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  26.47 +/- 1.55   0.000% *  0.4209% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  28.01 +/- 1.20   0.000% *  0.3333% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.524, support = 5.0, residual support = 55.3:
          HN    ALA  120 - HB    ILE  119   2.55 +/- 0.10  87.601% * 93.3363% (0.53   5.03  55.67) =  99.215%  kept
          HE21  GLN  116 - HB    ILE  119   4.64 +/- 1.48  11.865% *  5.4443% (0.22   0.71  14.35) =   0.784%  kept
          HN    LEU  123 - HB    ILE  119   6.09 +/- 0.21   0.488% *  0.1887% (0.27   0.02   0.02) =   0.001%
          HN    ALA  124 - HB    ILE  119   9.76 +/- 0.32   0.029% *  0.4896% (0.69   0.02   0.02) =   0.000%
          HN    ALA   57 - HB    ILE  119  10.90 +/- 1.13   0.017% *  0.1210% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  18.69 +/- 1.03   0.001% *  0.4200% (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 = 7.56, residual support = 258.8:
      O   HN    ILE  119 - HB    ILE  119   2.41 +/- 0.15  99.999% * 99.7485% (0.85  10.0   7.56 258.82) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  19.82 +/- 1.06   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  20.34 +/- 1.06   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  23.50 +/- 1.93   0.000% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  23.79 +/- 1.70   0.000% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 3.85, residual support = 55.7:
          HA    ALA  120 - QG2   ILE  119   3.57 +/- 0.23  96.422% * 94.9066% (0.57   3.85  55.67) =  99.987%  kept
          HA    LYS+  65 - QG2   ILE  119   8.39 +/- 0.68   0.743% *  0.8240% (0.95   0.02   0.02) =   0.007%
          HA    LYS+ 121 - QG2   ILE  119   6.53 +/- 0.19   2.640% *  0.1724% (0.20   0.02   5.93) =   0.005%
          HA2   GLY   16 - QG2   ILE  119  11.92 +/- 0.94   0.095% *  0.7812% (0.90   0.02   0.02) =   0.001%
          HB    THR   94 - QG2   ILE  119  12.91 +/- 0.78   0.052% *  0.2172% (0.25   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   ILE  119  16.17 +/- 0.96   0.014% *  0.6657% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  20.04 +/- 1.07   0.003% *  0.7812% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  17.66 +/- 1.21   0.008% *  0.2971% (0.34   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  18.28 +/- 1.24   0.007% *  0.2688% (0.31   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  20.17 +/- 1.64   0.003% *  0.4931% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  19.93 +/- 1.09   0.004% *  0.4583% (0.53   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  16.97 +/- 0.84   0.010% *  0.1344% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.595, support = 5.5, residual support = 53.5:
          HN    ALA  120 - QG2   ILE  119   3.39 +/- 0.21  64.187% * 82.5840% (0.61   5.63  55.67) =  96.140%  kept
          HN    LEU  123 - QG2   ILE  119   4.50 +/- 0.30  12.734% * 16.4809% (0.31   2.21   0.02) =   3.806%  kept
          HE21  GLN  116 - QG2   ILE  119   4.79 +/- 1.55  22.081% *  0.1205% (0.25   0.02  14.35) =   0.048%
          HN    ALA  124 - QG2   ILE  119   7.26 +/- 0.43   0.728% *  0.3870% (0.80   0.02   0.02) =   0.005%
          HN    ALA   57 - QG2   ILE  119   9.14 +/- 1.04   0.252% *  0.0956% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   17 - QG2   ILE  119  13.85 +/- 0.89   0.018% *  0.3320% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.89, residual support = 258.8:
          HN    ILE  119 - QG2   ILE  119   3.70 +/- 0.05  99.961% * 99.2759% (0.80   7.89 258.82) = 100.000%  kept
          HN    ILE   89 - QG2   ILE  119  17.46 +/- 1.12   0.010% *  0.3033% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - QG2   ILE  119  18.32 +/- 1.82   0.008% *  0.3136% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  15.55 +/- 1.17   0.021% *  0.1072% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.83, support = 1.9, residual support = 6.69:
          QD2   LEU  115 - HG12  ILE  119   3.31 +/- 0.91  62.564% * 68.5981% (0.90   2.03   8.14) =  79.926%  kept
          QD1   LEU   63 - HG12  ILE  119   3.92 +/- 0.88  37.337% * 28.8682% (0.57   1.36   0.93) =  20.073%  kept
          QD1   LEU  104 - HG12  ILE  119  10.90 +/- 1.50   0.067% *  0.7519% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG12  ILE  119  13.75 +/- 1.08   0.012% *  0.4257% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  17.75 +/- 1.20   0.003% *  0.6941% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  17.31 +/- 1.10   0.003% *  0.5460% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  13.25 +/- 0.81   0.015% *  0.1160% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.816, support = 1.91, residual support = 6.37:
          QD2   LEU  115 - HG13  ILE  119   3.61 +/- 1.27  55.503% * 69.3187% (0.90   2.09   8.14) =  75.457%  kept
          QD1   LEU   63 - HG13  ILE  119   3.87 +/- 0.93  44.387% * 28.1911% (0.57   1.35   0.93) =  24.542%  kept
          QD1   LEU  104 - HG13  ILE  119  11.36 +/- 1.66   0.067% *  0.7390% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG13  ILE  119  13.71 +/- 1.44   0.019% *  0.4184% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  17.83 +/- 1.41   0.004% *  0.6822% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  17.56 +/- 1.33   0.004% *  0.5366% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  13.61 +/- 0.95   0.016% *  0.1140% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3316 (0.17, 1.12, 30.83 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - HG13  ILE  119   8.98 +/- 1.65 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.55 A violated in 20 structures by 5.42 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.38, residual support = 22.0:
          QD    PHE   59 - HG13  ILE  119   3.01 +/- 0.77  99.978% * 98.3116% (0.95   3.38  21.96) = 100.000%  kept
          HE21  GLN   30 - HG13  ILE  119  17.70 +/- 1.87   0.014% *  0.5933% (0.97   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG13  ILE  119  19.00 +/- 2.58   0.005% *  0.5135% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  20.76 +/- 1.59   0.003% *  0.5816% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.17, residual support = 258.8:
          HN    ILE  119 - HG13  ILE  119   3.26 +/- 0.49  99.988% * 99.2035% (0.80   7.17 258.82) = 100.000%  kept
          HN    ILE   89 - HG13  ILE  119  18.48 +/- 1.21   0.004% *  0.3336% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG13  ILE  119  17.63 +/- 1.26   0.006% *  0.1179% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  22.38 +/- 1.90   0.002% *  0.3450% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 3.89, residual support = 22.0:
          QD    PHE   59 - HG12  ILE  119   3.11 +/- 0.68  99.988% * 99.0053% (0.84   3.89  21.96) = 100.000%  kept
          HE21  GLN   30 - HG12  ILE  119  17.89 +/- 1.32   0.006% *  0.2969% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG12  ILE  119  20.54 +/- 1.19   0.003% *  0.5095% (0.84   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  18.76 +/- 2.61   0.003% *  0.1883% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.95, residual support = 258.8:
          HN    ILE  119 - HG12  ILE  119   2.30 +/- 0.29  99.999% * 99.2816% (0.80   7.95 258.82) = 100.000%  kept
          HN    ILE   89 - HG12  ILE  119  17.87 +/- 1.05   0.001% *  0.3009% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE  119  17.89 +/- 0.76   0.001% *  0.1064% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  22.41 +/- 1.65   0.000% *  0.3111% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 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   7.69 +/- 1.88 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.03 A violated in 19 structures by 4.66 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.302, support = 3.29, residual support = 5.39:
          QD2   LEU  115 - QD1   ILE  119   2.69 +/- 0.95  65.318% * 43.8968% (0.40  1.00   4.46   8.14) =  61.819%  kept
        T QD1   LEU   63 - QD1   ILE  119   3.17 +/- 0.85  34.643% * 51.1166% (0.15 10.00   1.39   0.93) =  38.180%  kept
        T QD1   LEU  104 - QD1   ILE  119  10.16 +/- 1.68   0.019% *  3.2859% (0.66 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QD1   ILE  119  11.38 +/- 1.46   0.008% *  0.7381% (0.15 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  11.29 +/- 0.93   0.008% *  0.2708% (0.55  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  14.68 +/- 1.25   0.002% *  0.4773% (0.96  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  14.71 +/- 1.29   0.002% *  0.2145% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.94, residual support = 14.3:
        T HA    GLN  116 - QD1   ILE  119   3.34 +/- 0.74  99.079% * 99.4587% (0.51 10.00   3.94  14.35) =  99.999%  kept
          HA    VAL   70 - QD1   ILE  119  11.27 +/- 1.86   0.504% *  0.0995% (0.51  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QD1   ILE  119  11.80 +/- 1.17   0.124% *  0.1514% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  10.36 +/- 0.99   0.264% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  17.66 +/- 2.15   0.018% *  0.1886% (0.96  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  19.80 +/- 1.94   0.007% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  20.62 +/- 1.68   0.004% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 2 structures by 0.39 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.822, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   7.06 +/- 1.60  50.253% * 81.6578% (0.96 10.00   0.02   0.02) =  81.809%  kept
        T QD    PHE   72 - QD1   ILE  119   6.97 +/- 1.23  49.747% * 18.3422% (0.21 10.00   0.02   0.02) =  18.191%  kept
    Distance limit 3.26 A violated in 18 structures by 2.91 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.522, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   5.09 +/- 1.09  63.356% * 23.3518% (0.47   0.02   0.02) =  57.890%  kept
          QE    PHE   72 - QD1   ILE  119   5.96 +/- 1.41  36.106% * 29.0981% (0.59   0.02   0.02) =  41.109%  kept
          HN    ALA   47 - QD1   ILE  119  12.40 +/- 0.78   0.538% * 47.5501% (0.96   0.02   0.02) =   1.001%  kept
    Distance limit 3.30 A violated in 13 structures by 1.38 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 = 0.854, support = 1.25, residual support = 13.8:
          HN    HIS  122 - QD1   ILE  119   6.08 +/- 0.73  21.884% * 97.7953% (0.87   1.27  13.61) =  97.909%  kept
          HN    PHE   59 - QD1   ILE  119   4.66 +/- 1.09  78.059% *  0.5843% (0.33   0.02  21.96) =   2.087%  kept
          HH2   TRP   87 - QD1   ILE  119  15.95 +/- 1.87   0.057% *  1.6204% (0.91   0.02   0.02) =   0.004%
    Distance limit 3.45 A violated in 8 structures by 0.76 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.97, residual support = 258.8:
          HN    ILE  119 - QD1   ILE  119   3.58 +/- 0.26  99.934% * 99.2818% (0.95   6.97 258.82) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  14.32 +/- 1.05   0.031% *  0.2427% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  15.53 +/- 1.21   0.020% *  0.2427% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  18.96 +/- 2.09   0.008% *  0.1880% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  18.68 +/- 1.90   0.008% *  0.0448% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.26, residual support = 25.2:
        T QD1   LEU  123 - HA    ALA  120   2.38 +/- 0.52  99.487% * 99.1996% (0.45 10.00   5.26  25.22) =  99.999%  kept
          HB3   LEU   63 - HA    ALA  120   8.30 +/- 1.85   0.224% *  0.2169% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HA    ALA  120   9.68 +/- 2.31   0.253% *  0.1520% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  12.16 +/- 1.34   0.022% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  15.31 +/- 2.49   0.007% *  0.0992% (0.45  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  15.10 +/- 1.12   0.004% *  0.1772% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  15.84 +/- 0.47   0.002% *  0.1164% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.503, support = 3.62, residual support = 19.9:
          HN    LEU  123 - HA    ALA  120   2.62 +/- 0.11  56.773% * 45.0629% (0.80   1.0   3.63  25.22) =  52.387%  kept
      O   HN    ALA  120 - HA    ALA  120   2.74 +/- 0.03  42.802% * 54.3229% (0.18  10.0   3.61  14.09) =  47.611%  kept
          HN    ALA  124 - HA    ALA  120   5.94 +/- 0.20   0.425% *  0.3040% (0.98   1.0   0.02   0.02) =   0.003%
          HE21  GLN   17 - HA    ALA  120  20.29 +/- 1.21   0.000% *  0.3102% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 6.31, residual support = 315.6:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.75 +/- 0.01  99.995% * 99.7700% (0.45  10.0   6.31 315.59) = 100.000%  kept
          HZ2   TRP   49 - HA    LYS+ 121  25.07 +/- 2.22   0.000% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  14.64 +/- 1.04   0.005% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  24.63 +/- 1.32   0.000% *  0.0132% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.892, support = 2.74, residual support = 6.21:
          HA    THR  118 - HB2   LYS+ 121   2.87 +/- 0.53  88.079% * 28.2632% (0.87   2.08   6.30) =  74.651%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.29 +/- 0.20  11.916% * 70.9419% (0.97   4.68   5.93) =  25.349%  kept
          HA2   GLY  109 - HB2   LYS+ 121  16.10 +/- 0.70   0.004% *  0.1778% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  20.92 +/- 0.94   0.001% *  0.2400% (0.76   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  20.50 +/- 0.86   0.001% *  0.0873% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  26.86 +/- 1.62   0.000% *  0.2898% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.728, support = 2.28, residual support = 6.28:
        T HA    THR  118 - HB3   LYS+ 121   3.86 +/- 0.37  85.202% * 80.0699% (0.72 10.00   2.19   6.30) =  95.908%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.31 +/- 0.44  14.777% * 19.6964% (0.81  1.00   4.42   5.93) =   4.092%  kept
          HA2   GLY  109 - HB3   LYS+ 121  16.78 +/- 0.79   0.013% *  0.0523% (0.47  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  21.29 +/- 1.29   0.004% *  0.0705% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  20.97 +/- 1.28   0.004% *  0.0257% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  27.70 +/- 1.75   0.001% *  0.0852% (0.77  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.31, residual support = 315.6:
      O   HN    LYS+ 121 - HB3   LYS+ 121   3.06 +/- 0.36  99.999% * 99.9582% (0.75  10.0   6.31 315.59) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  23.46 +/- 2.23   0.001% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.34, residual support = 50.0:
          HN    HIS  122 - HB3   LYS+ 121   3.81 +/- 0.38  99.946% * 99.5491% (0.75   6.34  50.05) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  14.38 +/- 0.97   0.043% *  0.1195% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  17.69 +/- 1.71   0.011% *  0.3314% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 7.41, residual support = 50.0:
          HN    HIS  122 - HB2   LYS+ 121   3.43 +/- 0.19  99.470% * 99.2389% (0.41   7.41  50.05) =  99.999%  kept
          QD    PHE   59 - HB2   LYS+ 121   8.60 +/- 0.89   0.522% *  0.2221% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   LYS+ 121  17.80 +/- 1.41   0.006% *  0.3169% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 121  21.75 +/- 1.33   0.002% *  0.2221% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.83, residual support = 315.6:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.15 +/- 0.26 100.000% * 99.9061% (0.92  10.0   6.83 315.59) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  22.62 +/- 2.14   0.000% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.418, support = 0.981, residual support = 5.34:
          QD2   LEU   67 - HB2   HIS  122   4.96 +/- 2.75  52.111% * 22.2873% (0.41   0.66   0.64) =  47.400%  kept
          QG2   ILE  119 - HB2   HIS  122   5.01 +/- 0.66  13.793% * 64.5971% (0.53   1.50  13.61) =  36.363%  kept
          QD1   LEU   40 - HB2   HIS  122   5.83 +/- 2.50  32.688% * 12.1490% (0.20   0.75   0.57) =  16.208%  kept
          QD1   ILE  103 - HB2   HIS  122  13.13 +/- 2.52   1.050% *  0.5584% (0.34   0.02   0.02) =   0.024%
          QD2   LEU   71 - HB2   HIS  122  11.22 +/- 2.54   0.357% *  0.4082% (0.25   0.02   0.02) =   0.006%
    Distance limit 3.46 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.543, support = 0.0198, residual support = 0.0198:
          QD1   LEU  104 - HB2   HIS  122   7.86 +/- 2.11  38.432% * 20.0916% (0.69   0.02   0.02) =  68.010%  kept
          QD1   LEU   63 - HB2   HIS  122   7.31 +/- 1.00  49.120% *  4.5130% (0.15   0.02   0.02) =  19.525%  kept
          QD2   LEU  115 - HB2   HIS  122   9.65 +/- 1.36  10.378% * 12.0248% (0.41   0.02   0.02) =  10.991%  kept
          QD1   LEU   73 - HB2   HIS  122  13.59 +/- 2.39   1.569% *  4.5130% (0.15   0.02   0.02) =   0.624%  kept
          QG2   ILE   89 - HB2   HIS  122  17.26 +/- 1.45   0.251% * 16.5597% (0.57   0.02   0.02) =   0.366%
          QG1   VAL   83 - HB2   HIS  122  18.99 +/- 1.91   0.138% * 29.1845% (1.00   0.02   0.02) =   0.354%
          QD2   LEU   80 - HB2   HIS  122  19.65 +/- 2.18   0.113% * 13.1134% (0.45   0.02   0.02) =   0.130%
    Distance limit 4.02 A violated in 17 structures by 2.15 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.47, residual support = 67.1:
      O   HD2   HIS  122 - HB2   HIS  122   3.55 +/- 0.42  99.814% * 99.8219% (1.00  10.0   3.47  67.14) = 100.000%  kept
          HE22  GLN  116 - HB2   HIS  122  11.35 +/- 1.77   0.158% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB2   HIS  122  15.36 +/- 1.33   0.021% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  18.75 +/- 1.17   0.006% *  0.0410% (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 3343 (7.21, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.25, residual support = 67.1:
      O   HN    HIS  122 - HB2   HIS  122   3.37 +/- 0.54  99.806% * 99.7165% (0.41  10.0   5.25  67.14) = 100.000%  kept
          QD    PHE   59 - HB2   HIS  122   9.84 +/- 0.96   0.184% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   HIS  122  18.78 +/- 2.79   0.007% *  0.1181% (0.49   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  21.51 +/- 2.59   0.003% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 3.8, residual support = 67.1:
      O   HD2   HIS  122 - HB3   HIS  122   3.19 +/- 0.54  99.814% * 99.8219% (1.00  10.0   3.80  67.14) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  10.49 +/- 1.79   0.169% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.24 +/- 1.39   0.013% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  18.81 +/- 1.15   0.004% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.86, residual support = 67.1:
      O   HN    HIS  122 - HB3   HIS  122   2.87 +/- 0.35  99.983% * 99.8567% (0.90  10.0   5.86  67.14) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  12.89 +/- 0.92   0.015% *  0.0380% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  19.06 +/- 2.79   0.002% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.382, support = 0.886, residual support = 6.12:
          QG2   ILE  119 - HB3   HIS  122   4.30 +/- 0.64  34.999% * 36.9205% (0.53  1.00   1.33  13.61) =  42.481%  kept
        T QD1   LEU   40 - HB3   HIS  122   6.31 +/- 2.46  24.055% * 46.2261% (0.20 10.00   0.44   0.57) =  36.557%  kept
          QD2   LEU   67 - HB3   HIS  122   5.33 +/- 2.45  39.250% * 16.2317% (0.41  1.00   0.75   0.64) =  20.945%  kept
          QD2   LEU   71 - HB3   HIS  122  11.66 +/- 2.56   1.172% *  0.2625% (0.25  1.00   0.02   0.02) =   0.010%
          QD1   ILE  103 - HB3   HIS  122  13.33 +/- 2.48   0.524% *  0.3591% (0.34  1.00   0.02   0.02) =   0.006%
    Distance limit 3.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.14, residual support = 25.2:
          HA    ALA  120 - HG    LEU  123   2.55 +/- 0.86  98.730% * 94.8861% (0.68  1.00   3.14  25.22) =  99.995%  kept
          HA    LYS+ 121 - HG    LEU  123   6.77 +/- 0.48   1.109% *  0.4188% (0.47  1.00   0.02   2.18) =   0.005%
          QB    SER  117 - HG    LEU  123   8.91 +/- 0.85   0.113% *  0.2079% (0.23  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG    LEU  123  12.38 +/- 1.38   0.033% *  0.5092% (0.57  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  16.26 +/- 1.97   0.013% *  0.5467% (0.62  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  23.83 +/- 1.82   0.000% *  1.5201% (0.17 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  19.88 +/- 1.34   0.001% *  0.4659% (0.52  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  25.45 +/- 1.92   0.000% *  0.5288% (0.60  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  24.67 +/- 1.74   0.000% *  0.3698% (0.42  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  27.76 +/- 1.43   0.000% *  0.5467% (0.62  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.52, residual support = 199.4:
          HN    LEU  123 - HG    LEU  123   3.51 +/- 0.22  99.995% * 99.5303% (0.36   5.52 199.43) = 100.000%  kept
          HE21  GLN   17 - HG    LEU  123  19.39 +/- 1.58   0.004% *  0.1358% (0.14   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HG    LEU  123  25.29 +/- 2.48   0.001% *  0.3339% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.14, residual support = 25.2:
          HA    ALA  120 - HB3   LEU  123   3.19 +/- 0.65  98.203% * 96.2022% (0.99   3.14  25.22) =  99.992%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.50 +/- 0.68   1.571% *  0.4246% (0.69   0.02   2.18) =   0.007%
          QB    SER  117 - HB3   LEU  123   9.48 +/- 0.71   0.179% *  0.2108% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  13.36 +/- 1.53   0.035% *  0.5163% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  16.96 +/- 2.10   0.008% *  0.5543% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  21.14 +/- 0.95   0.002% *  0.4724% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  26.82 +/- 1.29   0.000% *  0.5361% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  26.28 +/- 1.14   0.000% *  0.3749% (0.61   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  28.72 +/- 1.32   0.000% *  0.5543% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  25.39 +/- 1.48   0.001% *  0.1541% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.918, support = 5.37, residual support = 171.2:
      O   HN    LEU  123 - HB3   LEU  123   3.23 +/- 0.59  42.460% * 88.3641% (0.98  10.0   5.52 199.43) =  84.926%  kept
          HN    ALA  124 - HB3   LEU  123   3.27 +/- 0.54  57.539% * 11.5740% (0.57   1.0   4.54  12.38) =  15.074%  kept
          HE21  GLN   17 - HB3   LEU  123  20.43 +/- 1.77   0.001% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.14, residual support = 25.2:
          HA    ALA  120 - HB2   LEU  123   2.29 +/- 0.64  99.067% * 88.6923% (0.99  1.00   3.14  25.22) =  99.961%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.52 +/- 0.58   0.845% *  3.9142% (0.69 10.00   0.02   2.18) =   0.038%
        T HA    LYS+  65 - HB2   LEU  123  13.60 +/- 1.52   0.016% *  4.7596% (0.84 10.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB2   LEU  123   8.62 +/- 0.63   0.067% *  0.1944% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  17.22 +/- 1.92   0.003% *  0.5110% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  20.32 +/- 0.69   0.001% *  0.4355% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  26.36 +/- 1.39   0.000% *  0.4943% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  27.96 +/- 1.06   0.000% *  0.5110% (0.90  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  25.85 +/- 1.20   0.000% *  0.3456% (0.61  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  24.85 +/- 1.37   0.000% *  0.1421% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 0.973, support = 5.81, residual support = 196.1:
      O   HN    LEU  123 - HB2   LEU  123   2.50 +/- 0.43  86.871% * 89.1147% (0.98  10.0   5.84 199.43) =  98.198%  kept
          HN    ALA  124 - HB2   LEU  123   3.96 +/- 0.37  13.129% * 10.8228% (0.57   1.0   4.21  12.38) =   1.802%  kept
          HE21  GLN   17 - HB2   LEU  123  20.65 +/- 1.62   0.000% *  0.0625% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.565, support = 5.25, residual support = 25.2:
        T HA    ALA  120 - QD1   LEU  123   2.38 +/- 0.52  95.683% * 94.3197% (0.57 10.00   5.26  25.22) =  99.799%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.24 +/- 0.52   4.257% *  4.2763% (0.20  1.00   2.59   2.18) =   0.201%
          HA    LYS+  65 - QD1   LEU  123   9.58 +/- 1.44   0.046% *  0.1576% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  123  12.70 +/- 1.81   0.010% *  0.1494% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  21.82 +/- 1.59   0.000% *  0.5142% (0.31 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  16.00 +/- 1.07   0.002% *  0.0415% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  19.63 +/- 1.20   0.000% *  0.1273% (0.76  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  21.22 +/- 2.36   0.001% *  0.0943% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  22.51 +/- 1.35   0.000% *  0.1494% (0.90  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  20.79 +/- 1.59   0.000% *  0.0568% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  22.64 +/- 1.26   0.000% *  0.0877% (0.53  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  20.40 +/- 1.26   0.000% *  0.0257% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 1.82, residual support = 9.25:
      O   HN    ALA  124 - QB    ALA  124   2.32 +/- 0.34  98.530% * 99.6766% (0.57  10.0   1.82   9.25) =  99.997%  kept
          HN    LEU  123 - QB    ALA  124   5.42 +/- 0.46   1.470% *  0.1901% (0.98   1.0   0.02  12.38) =   0.003%
          HE21  GLN   17 - QB    ALA  124  18.74 +/- 2.22   0.001% *  0.1332% (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 = 1.82, residual support = 9.25:
      O   HN    ALA  124 - HA    ALA  124   2.70 +/- 0.25  98.392% * 99.7401% (0.98  10.0   1.82   9.25) =  99.999%  kept
          HN    LEU  123 - HA    ALA  124   5.63 +/- 0.33   1.549% *  0.0898% (0.80   1.0   0.02  12.38) =   0.001%
          HN    ALA  120 - HA    ALA  124   9.78 +/- 0.43   0.053% *  0.0196% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  22.65 +/- 2.16   0.000% *  0.1121% (1.00   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  17.46 +/- 2.47   0.003% *  0.0130% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  20.86 +/- 3.77   0.001% *  0.0127% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  19.13 +/- 2.73   0.002% *  0.0104% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  21.04 +/- 1.84   0.001% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 4.43, residual support = 45.2:
      O   HN    ALA  124 - HA    LEU  123   2.29 +/- 0.01  79.255% * 55.0021% (0.98  10.0   4.11  12.38) =  82.458%  kept
      O   HN    LEU  123 - HA    LEU  123   2.86 +/- 0.04  20.639% * 44.9320% (0.80  10.0   5.95 199.43) =  17.542%  kept
          HN    ALA  120 - HA    LEU  123   6.90 +/- 0.17   0.106% *  0.0098% (0.18   1.0   0.02  25.22) =   0.000%
          HE21  GLN   17 - HA    LEU  123  19.17 +/- 1.74   0.000% *  0.0561% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  15.63 +/- 2.67 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.23 A violated in 20 structures by 12.40 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   2.34 +/- 0.13  99.999% * 99.7350% (0.69  10.0   5.97  22.38) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  19.83 +/- 1.54   0.000% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  21.51 +/- 2.05   0.000% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  21.08 +/- 2.20   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.39 +/- 0.93   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 14.4:
      O   HN    PHE   95 - HA    THR   94   2.17 +/- 0.03 100.000% *100.0000% (0.73  10.0   3.16  14.41) = 100.000%  kept
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.91, residual support = 80.0:
      O   HN    LEU   80 - HB2   LEU   80   2.78 +/- 0.60  99.979% * 99.7811% (1.00  10.0   5.91  79.95) = 100.000%  kept
          HN    ALA   34 - HB2   LEU   80  16.54 +/- 0.62   0.005% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  14.35 +/- 0.64   0.013% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   80  16.77 +/- 1.36   0.003% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.34, residual support = 80.0:
      O   HN    LEU   80 - HB3   LEU   80   3.40 +/- 0.22  99.963% * 99.7811% (1.00  10.0   6.34  79.95) = 100.000%  kept
          HN    ALA   34 - HB3   LEU   80  16.50 +/- 0.51   0.008% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   80  17.18 +/- 1.38   0.007% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  14.18 +/- 0.69   0.022% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.98, residual support = 79.9:
      O   HA    LEU   80 - HB3   LEU   80   2.60 +/- 0.27  97.677% * 99.6901% (0.98  10.0   4.98  79.95) =  99.998%  kept
          HA    THR   23 - HB3   LEU   80   5.44 +/- 1.03   2.003% *  0.0912% (0.90   1.0   0.02   7.56) =   0.002%
          HB    THR   23 - HB3   LEU   80   7.67 +/- 1.09   0.180% *  0.0912% (0.90   1.0   0.02   7.56) =   0.000%
          HA    ASP-  78 - HB3   LEU   80   8.38 +/- 0.59   0.139% *  0.0617% (0.61   1.0   0.02   2.80) =   0.000%
          HA    ASP- 105 - HB3   LEU   80  20.45 +/- 1.20   0.001% *  0.0658% (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 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 = 0.513, support = 3.9, residual support = 79.9:
      O   QD2   LEU   80 - HB3   LEU   80   2.66 +/- 0.37  63.067% * 77.3053% (0.57  10.0  1.00   3.75  79.95) =  87.745%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.96 +/- 0.32  36.842% * 18.4793% (0.14  10.0  1.00   4.96  79.95) =  12.253%  kept
        T QD1   LEU   73 - HB3   LEU   80   8.60 +/- 0.75   0.065% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   80  15.82 +/- 2.17   0.002% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  17.28 +/- 1.93   0.001% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  11.35 +/- 0.61   0.010% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  18.30 +/- 1.18   0.001% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  11.50 +/- 1.24   0.012% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  17.53 +/- 1.66   0.001% *  0.0828% (0.61   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 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.46, residual support = 78.6:
      O   HA    LEU   80 - HG    LEU   80   3.48 +/- 0.48  71.865% * 94.2695% (0.63  10.0   4.52  79.95) =  98.172%  kept
          HA    THR   23 - HG    LEU   80   4.39 +/- 0.88  25.465% *  4.9468% (0.58   1.0   1.15   7.56) =   1.825%  kept
          HB    THR   23 - HG    LEU   80   6.59 +/- 0.88   1.855% *  0.0863% (0.58   1.0   0.02   7.56) =   0.002%
          HA    ASP-  78 - HG    LEU   80   8.85 +/- 0.68   0.370% *  0.0583% (0.39   1.0   0.02   2.80) =   0.000%
          HA    ASP- 105 - HG    LEU   40  10.00 +/- 0.86   0.178% *  0.0468% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   73  11.70 +/- 0.83   0.067% *  0.0342% (0.23   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  11.96 +/- 1.04   0.062% *  0.0342% (0.23   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  12.97 +/- 1.12   0.045% *  0.0294% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  13.84 +/- 0.88   0.025% *  0.0374% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  13.44 +/- 0.90   0.031% *  0.0294% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.80 +/- 0.87   0.011% *  0.0247% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  17.04 +/- 0.80   0.007% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  20.64 +/- 1.19   0.002% *  0.0622% (0.42   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  20.56 +/- 1.30   0.002% *  0.0649% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  20.93 +/- 1.43   0.002% *  0.0649% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.49 +/- 0.35   0.006% *  0.0232% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  21.52 +/- 1.53   0.002% *  0.0709% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  19.99 +/- 0.76   0.003% *  0.0199% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  21.29 +/- 1.43   0.002% *  0.0212% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  24.77 +/- 1.22   0.001% *  0.0439% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.196, support = 5.48, residual support = 161.5:
          HN    LEU   73 - HG    LEU   73   3.02 +/- 0.59  66.752% * 47.1418% (0.20   5.68 171.70) =  90.940%  kept
          HN    ILE   19 - HG12  ILE   19   3.81 +/- 0.63  19.623% *  7.4827% (0.03   5.21 123.86) =   4.243%  kept
          HN    VAL   42 - HG    LEU   40   5.41 +/- 1.04   3.382% * 36.4194% (0.37   2.31   1.23) =   3.559%  kept
          HN    VAL   42 - HG    LEU   73   4.46 +/- 0.73   6.987% *  6.1997% (0.20   0.75   1.40) =   1.252%  kept
          HN    ILE   19 - HG    LEU   73   5.35 +/- 0.68   2.548% *  0.0335% (0.04   0.02   4.10) =   0.002%
          HN    LEU   73 - HG12  ILE   19   7.18 +/- 0.97   0.461% *  0.1424% (0.17   0.02   4.10) =   0.002%
          HN    LEU   73 - HG    LEU   40   9.57 +/- 1.07   0.062% *  0.3148% (0.37   0.02   0.02) =   0.001%
          HN    VAL   42 - HG12  ILE   19   9.66 +/- 1.46   0.113% *  0.1424% (0.17   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.14 +/- 0.91   0.024% *  0.3441% (0.41   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  11.60 +/- 0.94   0.017% *  0.4184% (0.49   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  13.79 +/- 0.88   0.006% *  0.4184% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.65 +/- 1.03   0.011% *  0.0636% (0.08   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  13.09 +/- 0.87   0.008% *  0.0845% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.62 +/- 0.86   0.003% *  0.1815% (0.21   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.62 +/- 1.11   0.001% *  0.4573% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  21.11 +/- 1.36   0.000% *  0.1556% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 5.8, residual support = 171.8:
      O T HA    LYS+  99 - HB3   LYS+  99   2.63 +/- 0.26  95.756% * 97.7927% (0.76  10.0 10.00   5.80 171.80) =  99.996%  kept
          HA    LEU   40 - HB3   LYS+  99   4.55 +/- 0.73   4.195% *  0.0828% (0.65   1.0  1.00   0.02  12.23) =   0.004%
          HA    ASN   35 - HB3   LYS+  99   9.91 +/- 0.69   0.041% *  0.1148% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  14.57 +/- 2.47   0.006% *  0.1254% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  22.33 +/- 1.90   0.000% *  1.1812% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  21.31 +/- 0.97   0.000% *  0.5261% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  17.99 +/- 1.13   0.001% *  0.0574% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  21.67 +/- 1.13   0.000% *  0.0623% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  22.42 +/- 2.14   0.000% *  0.0574% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.69, residual support = 171.8:
      O   HN    LYS+  99 - HB3   LYS+  99   3.09 +/- 0.19  98.836% * 99.4797% (0.31  10.0   3.69 171.80) =  99.999%  kept
          HE1   HIS  122 - HB3   LYS+  99   9.68 +/- 2.58   1.112% *  0.0804% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB3   LYS+  99  11.26 +/- 0.62   0.050% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  21.02 +/- 1.89   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  25.48 +/- 2.74   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 16.9:
        T QD1   LEU  104 - HB3   LYS+  99   2.45 +/- 0.78  99.969% * 96.9505% (0.41 10.00   1.49  16.92) = 100.000%  kept
        T QG2   ILE   89 - HB3   LYS+  99  16.14 +/- 0.71   0.008% *  2.6421% (0.84 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LYS+  99  15.33 +/- 0.86   0.011% *  0.2744% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  14.55 +/- 1.70   0.007% *  0.0626% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  17.29 +/- 1.14   0.005% *  0.0704% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 1 structures by 0.10 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.86, residual support = 12.2:
        T QD2   LEU   40 - HB3   LYS+  99   2.68 +/- 0.68  99.183% * 99.5781% (0.76 10.00   1.86  12.23) =  99.999%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.00 +/- 0.51   0.662% *  0.0849% (0.61  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB3   LYS+  99   9.52 +/- 2.47   0.135% *  0.1016% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LYS+  99  13.10 +/- 2.01   0.017% *  0.0349% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   LYS+  99  17.61 +/- 0.96   0.003% *  0.1324% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  20.20 +/- 1.06   0.001% *  0.0681% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.47, residual support = 171.8:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.75 +/- 0.21  99.902% * 99.4593% (0.97  10.0   5.47 171.80) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99  10.29 +/- 0.94   0.048% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  12.70 +/- 0.65   0.011% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  13.72 +/- 2.82   0.025% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  14.69 +/- 1.26   0.006% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  17.12 +/- 0.99   0.002% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  15.76 +/- 0.99   0.003% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  18.21 +/- 0.81   0.001% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  21.65 +/- 2.05   0.001% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  21.02 +/- 1.06   0.001% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 171.8:
      O T HB2   LYS+  99 - HA    LYS+  99   2.87 +/- 0.25  99.959% * 99.7492% (0.99  10.0 10.00   7.00 171.80) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  10.91 +/- 0.61   0.039% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  18.85 +/- 1.04   0.001% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  24.10 +/- 0.65   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 = 0.606, support = 5.15, residual support = 179.4:
      O T QD    LYS+  99 - HG3   LYS+  99   2.31 +/- 0.16  56.933% * 20.0954% (0.34  10.0 10.00   5.27 171.80) =  41.806%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.85 +/- 0.28  19.130% * 58.3907% (0.99  10.0  1.00   5.00 171.80) =  40.817%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.69 +/- 0.16  23.830% * 19.9563% (0.34  10.0 10.00   5.19 215.68) =  17.377%  kept
        T QD    LYS+ 106 - HG12  ILE   89   8.91 +/- 1.26   0.028% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+  38   7.96 +/- 1.40   0.055% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  12.94 +/- 0.67   0.002% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.38 +/- 1.21   0.000% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38   9.62 +/- 1.31   0.016% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  12.25 +/- 1.48   0.003% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  20.97 +/- 1.19   0.000% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  17.66 +/- 1.05   0.000% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.72 +/- 0.93   0.000% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  16.41 +/- 1.44   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  13.89 +/- 1.29   0.001% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.84 +/- 1.62   0.000% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  24.23 +/- 1.50   0.000% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  17.56 +/- 0.88   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  24.92 +/- 1.16   0.000% *  0.0051% (0.09   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 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.44, residual support = 171.8:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.48 +/- 0.20  99.830% * 97.9462% (0.99  10.0 10.00   6.44 171.80) =  99.999%  kept
        T HB    VAL   43 - HG12  ILE   89   8.04 +/- 0.69   0.105% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG3   LYS+  38   9.67 +/- 1.57   0.042% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.63 +/- 0.75   0.005% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  11.24 +/- 0.89   0.016% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  17.87 +/- 0.94   0.001% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  20.60 +/- 1.53   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.35 +/- 0.99   0.001% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.63 +/- 0.83   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  22.59 +/- 0.85   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  20.97 +/- 1.83   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  28.65 +/- 0.61   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.21, residual support = 114.0:
    * O   HA    GLN  116 - HG3   GLN  116   3.38 +/- 0.21  99.986% * 99.5202% (1.00  10.0   5.21 114.04) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  19.35 +/- 2.17   0.004% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  18.40 +/- 1.65   0.004% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  19.68 +/- 2.14   0.003% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  22.10 +/- 2.50   0.002% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  27.00 +/- 2.44   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  29.83 +/- 1.88   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  30.79 +/- 1.45   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  30.40 +/- 1.31   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.71, residual support = 114.0:
      O   HB2   GLN  116 - HG3   GLN  116   2.33 +/- 0.09  99.970% * 99.6757% (0.98  10.0   5.71 114.04) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116   9.72 +/- 1.39   0.028% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  15.68 +/- 1.40   0.001% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  25.75 +/- 1.83   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  25.11 +/- 1.78   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  28.61 +/- 1.49   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 6.7, residual support = 98.7:
          QD2   LEU  115 - HG3   GLN  116   4.50 +/- 1.35  78.798% * 98.7490% (0.97   6.70  98.74) =  99.960%  kept
          QD1   LEU   63 - HG3   GLN  116   7.99 +/- 2.25  13.144% *  0.2098% (0.69   0.02   0.02) =   0.035%
          QD2   LEU   63 - HG3   GLN  116   8.56 +/- 2.36   8.016% *  0.0471% (0.15   0.02   0.02) =   0.005%
          QD1   LEU  104 - HG3   GLN  116  15.59 +/- 1.56   0.026% *  0.2994% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  18.73 +/- 1.31   0.008% *  0.2098% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  22.02 +/- 1.43   0.003% *  0.2994% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  21.82 +/- 1.27   0.003% *  0.1853% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 4 structures by 0.81 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.45, residual support = 114.0:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.7025% (0.98  10.0  1.00   5.45 114.04) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  12.42 +/- 0.74   0.001% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  33.38 +/- 1.41   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 = 4.07, residual support = 114.0:
      O   HE21  GLN  116 - HG3   GLN  116   3.23 +/- 0.40  97.547% * 99.6819% (0.69  10.0   4.07 114.04) =  99.999%  kept
          HN    ALA  120 - HG3   GLN  116   6.43 +/- 0.59   2.238% *  0.0448% (0.31   1.0   0.02   0.26) =   0.001%
          HN    ALA   57 - HG3   GLN  116  10.49 +/- 1.59   0.214% *  0.1109% (0.76   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  25.11 +/- 2.21   0.001% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  30.20 +/- 1.93   0.000% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 7.36, residual support = 114.0:
          HN    GLN  116 - HG3   GLN  116   3.71 +/- 0.36  95.435% * 98.9591% (0.69   7.36 114.04) =  99.987%  kept
          HN    THR  118 - HG3   GLN  116   6.92 +/- 0.57   2.399% *  0.3614% (0.92   0.02   0.02) =   0.009%
          HN    GLU- 114 - HG3   GLN  116   7.31 +/- 0.73   1.798% *  0.0976% (0.25   0.02   0.21) =   0.002%
          HN    PHE   60 - HG3   GLN  116   9.95 +/- 1.16   0.366% *  0.3914% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  15 - HG3   GLN  116  24.73 +/- 1.86   0.001% *  0.1905% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.916, support = 6.58, residual support = 176.1:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.805% * 88.2996% (1.00  10.0 10.00   6.59 171.80) =  90.832%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.805% *  8.9120% (0.10  10.0 10.00   6.44 218.54) =   9.168%  kept
          QB    ALA   88 - HG12  ILE   89   4.60 +/- 0.37   0.174% *  0.0247% (0.28   1.0  1.00   0.02   8.09) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.82 +/- 1.26   0.004% *  0.8540% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   7.32 +/- 1.49   0.018% *  0.0921% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG12  ILE   89   5.21 +/- 0.76   0.119% *  0.0063% (0.07   1.0  1.00   0.02  10.56) =   0.000%
          QG2   THR   77 - HG12  ILE   89   5.62 +/- 0.70   0.061% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.96 +/- 0.85   0.005% *  0.0221% (0.25   1.0  1.00   0.02  17.04) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  14.63 +/- 1.68   0.000% *  0.3313% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89  10.02 +/- 1.29   0.002% *  0.0261% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  10.22 +/- 0.86   0.001% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.83 +/- 3.00   0.001% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.32 +/- 0.93   0.000% *  0.0768% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89   9.90 +/- 1.13   0.002% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.77 +/- 1.66   0.000% *  0.8169% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  11.92 +/- 1.47   0.001% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.29 +/- 1.23   0.000% *  0.0537% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.23 +/- 0.75   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  15.94 +/- 0.94   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.73 +/- 1.10   0.000% *  0.0431% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  16.29 +/- 1.53   0.000% *  0.0218% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  18.84 +/- 1.01   0.000% *  0.0608% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  17.82 +/- 4.20   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  19.74 +/- 0.78   0.000% *  0.0358% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.12 +/- 1.47   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.67 +/- 0.84   0.000% *  0.0643% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.95 +/- 0.81   0.000% *  0.0273% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  20.16 +/- 1.01   0.000% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  24.47 +/- 0.93   0.000% *  0.0346% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.92 +/- 0.87   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  22.90 +/- 1.54   0.000% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.88 +/- 1.31   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.68 +/- 0.98   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.66 +/- 0.92   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  24.24 +/- 0.71   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.96 +/- 0.88   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  22.79 +/- 0.69   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.65 +/- 2.21   0.000% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  27.33 +/- 1.09   0.000% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2699
      with diagonal assignment               :    465
      without assignment possibility         :     14
      with one assignment possibility        :    111
      with multiple assignment possibilities :   2109
      with given assignment possibilities    :      0
      with unique volume contribution        :   1738
      with multiple volume contributions     :    482
      eliminated by violation filter         :     99
 
    Peaks:
      selected                               :   2699
      without assignment                     :    139
      with assignment                        :   2560
      with unique assignment                 :   2022
      with multiple assignment               :    538
      with reference assignment              :   1605
      with identical reference assignment    :   1272
      with compatible reference assignment   :    325
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    955
 
    Atoms with eliminated volume contribution > 2.5:
    QD1   ILE   19       2.7
    HA    HIS   22       3.0
    QB    LYS+  33       3.0
    QD1   LEU   40       2.5
    QD2   LEU   40       4.0
    QD    PHE   45       4.0
    QG2   ILE   56       3.0
    QD    PHE   59       3.5
    QD    PHE   60       2.6
    HN    LYS+  65       6.0
    HZ    PHE   72       2.9
    HA    LEU   73       3.0
    HA    THR  118       4.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.94, residual support = 71.9:
        T HA    PHE   60 - QD    PHE   60   2.61 +/- 0.47  99.806% * 98.3426% (0.87 10.00   3.94  71.92) = 100.000%  kept
        T QB    SER  117 - QD    PHE   60  11.56 +/- 1.26   0.025% *  1.0168% (0.90 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - QD    PHE   60  12.00 +/- 1.37   0.021% *  0.4255% (0.38 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    PHE   60   9.10 +/- 0.68   0.095% *  0.0552% (0.49  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  12.41 +/- 1.39   0.016% *  0.0733% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  13.64 +/- 1.68   0.010% *  0.0642% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  12.04 +/- 1.82   0.028% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (7.19, 7.19, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   59 - QD    PHE   59  (1.00)  kept
 
    Peak 40 (6.35, 6.35, 121.95 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   27 - HZ3   TRP   27  (1.00)  kept
 
    Peak 43 (7.13, 7.13, 121.44 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   87 - HZ3   TRP   87  (1.00)  kept
 
    Peak 44 (7.70, 7.13, 121.44 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 1.0, residual support = 70.3:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.743% * 99.2427% (0.69  10.0   1.00  70.26) = 100.000%  kept
          HN    TRP   87 - HZ3   TRP   87   6.77 +/- 0.20   0.252% *  0.1753% (0.61   1.0   0.02  70.26) =   0.000%
          HN    ALA   91 - HZ3   TRP   87  14.00 +/- 0.50   0.003% *  0.0892% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  21.26 +/- 1.13   0.000% *  0.2208% (0.76   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  20.31 +/- 1.27   0.000% *  0.1636% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  20.07 +/- 0.94   0.000% *  0.1084% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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  21.16 +/- 2.06 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 4.67 A violated in 20 structures by 16.49 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.04, residual support = 5.25:
          QB    ALA   20 - HE1   HIS   22   3.61 +/- 0.31  99.979% * 93.0065% (0.76   1.04   5.25) = 100.000%  kept
          QG2   VAL  107 - HE1   HIS   22  17.09 +/- 1.16   0.011% *  2.2072% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  19.53 +/- 0.73   0.004% *  0.5818% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  20.61 +/- 1.57   0.004% *  0.6487% (0.28   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  22.58 +/- 1.54   0.002% *  1.2276% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  27.81 +/- 1.65   0.001% *  2.3281% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.338, support = 4.74, residual support = 41.1:
          HN    ASN   28 - HD1   TRP   27   3.61 +/- 0.38  92.671% * 35.3933% (0.25   5.07  46.61) =  88.070%  kept
          HN    GLU-  25 - HD1   TRP   27   5.85 +/- 0.60   6.942% * 63.9712% (0.99   2.30   0.27) =  11.924%  kept
          HN    ASP-  44 - HD1   TRP   27   9.47 +/- 0.71   0.384% *  0.5491% (0.98   0.02   0.02) =   0.006%
          HN    ALA  110 - HD1   TRP   27  20.23 +/- 0.98   0.004% *  0.0864% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 2.0, residual support = 98.0:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.00  97.98) = 100.000%  kept
    Distance limit 3.56 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 = 1.51, residual support = 98.0:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.998% * 99.9795% (0.89  10.0   1.51  97.98) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  15.52 +/- 1.27   0.002% *  0.0205% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 51 (4.49, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.957, support = 3.73, residual support = 98.0:
          HA    TRP   27 - HE3   TRP   27   2.74 +/- 0.77  99.958% * 98.3738% (0.96   3.73  97.98) = 100.000%  kept
          HA    ALA   91 - HE3   TRP   27  17.64 +/- 1.25   0.011% *  0.5419% (0.98   0.02   0.02) =   0.000%
          HA    VAL  107 - HE3   TRP   27  17.14 +/- 0.46   0.006% *  0.5047% (0.91   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  16.86 +/- 1.04   0.007% *  0.0785% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  17.46 +/- 0.73   0.006% *  0.0821% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  22.06 +/- 1.20   0.002% *  0.2052% (0.37   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  19.82 +/- 1.70   0.004% *  0.0844% (0.15   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  24.01 +/- 1.15   0.001% *  0.0843% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  19.31 +/- 2.31   0.004% *  0.0131% (0.02   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  21.91 +/- 1.01   0.001% *  0.0319% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.07 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.4, residual support = 98.0:
      O   HB3   TRP   27 - HE3   TRP   27   2.91 +/- 0.22  99.893% * 98.0783% (0.17  10.0   4.40  97.98) = 100.000%  kept
          QE    LYS+  99 - HE3   TRP   27  13.68 +/- 1.27   0.013% *  0.4678% (0.83   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HE3   TRP   27  14.93 +/- 1.68   0.009% *  0.5405% (0.96   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    LEU   67  11.44 +/- 1.61   0.041% *  0.0728% (0.13   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  16.84 +/- 1.19   0.003% *  0.5551% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  13.01 +/- 0.81   0.016% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  19.23 +/- 2.82   0.005% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  13.26 +/- 1.63   0.016% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  17.88 +/- 1.17   0.002% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  18.16 +/- 0.80   0.002% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (0.76, 7.32, 120.14 ppm):
    16 chemical-shift based assignments, quality = 0.78, support = 1.44, residual support = 9.63:
          QG1   VAL   43 - HE3   TRP   27   4.29 +/- 0.59  34.737% * 63.7525% (0.99   1.50   7.22) =  68.754%  kept
          QD2   LEU   73 - HE3   TRP   27   4.35 +/- 1.27  39.859% * 17.7256% (0.28   1.50  14.30) =  21.935%  kept
          HG    LEU   31 - HE3   TRP   27   4.73 +/- 0.95  20.077% * 14.8288% (0.41   0.85  16.52) =   9.243%  kept
          QG1   VAL   41 - HE3   TRP   27   7.44 +/- 1.13   1.271% *  0.8041% (0.94   0.02   0.02) =   0.032%
          QD1   ILE   19 - HE3   TRP   27   8.47 +/- 1.32   0.898% *  0.4138% (0.48   0.02   0.02) =   0.012%
          QG2   THR   46 - HE3   TRP   27  10.32 +/- 1.13   0.437% *  0.7100% (0.83   0.02   0.02) =   0.010%
          QG2   VAL   18 - HN    LEU   67   7.14 +/- 0.67   1.825% *  0.1221% (0.14   0.02   0.02) =   0.007%
          QG2   VAL   18 - HE3   TRP   27  10.04 +/- 0.91   0.233% *  0.7847% (0.91   0.02   0.02) =   0.006%
          QD2   LEU  104 - HE3   TRP   27  13.52 +/- 1.12   0.036% *  0.2900% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LEU   67   9.97 +/- 0.58   0.268% *  0.0368% (0.04   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    LEU   67  12.11 +/- 0.66   0.070% *  0.1323% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    LEU   67  11.39 +/- 1.47   0.144% *  0.0644% (0.08   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    LEU   67  12.25 +/- 0.60   0.069% *  0.1251% (0.15   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  14.04 +/- 1.16   0.033% *  0.1105% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  13.63 +/- 1.58   0.037% *  0.0451% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  17.81 +/- 0.75   0.008% *  0.0544% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 54 (0.60, 7.32, 120.14 ppm):
    14 chemical-shift based assignments, quality = 0.422, support = 5.0, residual support = 13.3:
          QD1   LEU   73 - HE3   TRP   27   2.55 +/- 0.97  83.948% * 44.2628% (0.37   5.38  14.30) =  87.281%  kept
          QD2   LEU   80 - HE3   TRP   27   5.83 +/- 1.72  11.611% * 42.6539% (0.76   2.55   6.41) =  11.633%  kept
          QG1   VAL   83 - HE3   TRP   27   5.64 +/- 0.94   3.929% * 11.7657% (0.89   0.60   3.93) =   1.086%  kept
          QD1   LEU   63 - HN    LEU   67   6.58 +/- 0.39   0.408% *  0.0256% (0.06   0.02   0.02) =   0.000%
          QG2   ILE   89 - HE3   TRP   27   9.58 +/- 0.97   0.044% *  0.1219% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  13.17 +/- 1.45   0.005% *  0.4149% (0.94   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  12.15 +/- 2.01   0.010% *  0.1646% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  10.79 +/- 1.18   0.023% *  0.0496% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  15.49 +/- 1.51   0.002% *  0.3185% (0.72   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  12.06 +/- 1.31   0.010% *  0.0646% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  11.93 +/- 0.47   0.010% *  0.0256% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  18.53 +/- 0.72   0.001% *  0.0612% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  18.05 +/- 0.79   0.001% *  0.0522% (0.12   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  17.28 +/- 0.80   0.001% *  0.0190% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.716, support = 0.406, residual support = 0.815:
          QG2   VAL   75 - HE3   TRP   27   4.55 +/- 1.18  81.585% * 71.3288% (0.72   0.41   0.83) =  97.804%  kept
          QG2   VAL   42 - HE3   TRP   27   8.46 +/- 0.86   4.504% * 27.7099% (0.56   0.20   0.02) =   2.098%  kept
          QG2   VAL   42 - HN    LEU   67   7.00 +/- 0.92  13.745% *  0.4211% (0.09   0.02   0.02) =   0.097%
          QG2   VAL   75 - HN    LEU   67  13.79 +/- 0.59   0.166% *  0.5402% (0.11   0.02   0.02) =   0.002%
    Distance limit 4.00 A violated in 8 structures by 0.77 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.51, residual support = 34.6:
      O T HB2   HIS   22 - HD2   HIS   22   3.71 +/- 0.14  99.989% * 99.9216% (0.92  10.0 10.00   2.51  34.64) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  18.05 +/- 1.08   0.008% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  21.90 +/- 1.54   0.003% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.13, residual support = 34.6:
      O T HB3   HIS   22 - HD2   HIS   22   3.72 +/- 0.22  99.943% * 99.8217% (0.45  10.0 10.00   3.13  34.64) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  17.73 +/- 3.26   0.057% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.887, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22   6.80 +/- 1.09  78.655% * 29.7119% (0.92   0.02   0.02) =  85.870%  kept
          HB3   ASP-  78 - HD2   HIS   22   9.78 +/- 0.85  12.386% * 19.5221% (0.61   0.02   0.02) =   8.884%  kept
          QB    CYS   50 - HD2   HIS   22  12.08 +/- 1.74   4.068% * 28.8658% (0.90   0.02   0.02) =   4.315%  kept
          HB2   PHE   72 - HD2   HIS   22  11.06 +/- 0.97   4.806% *  4.9662% (0.15   0.02   0.02) =   0.877%  kept
          HB3   ASN   69 - HD2   HIS   22  21.73 +/- 1.10   0.085% * 16.9340% (0.53   0.02   0.02) =   0.053%
    Distance limit 4.71 A violated in 16 structures by 1.79 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.11, residual support = 5.25:
        T QB    ALA   20 - HD2   HIS   22   3.53 +/- 0.53  99.888% * 98.9678% (0.28 10.00   2.11   5.25) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  15.65 +/- 1.01   0.023% *  0.3088% (0.87  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  12.71 +/- 1.04   0.080% *  0.0704% (0.20  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  19.14 +/- 1.43   0.006% *  0.3435% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  25.34 +/- 1.27   0.001% *  0.2303% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  23.57 +/- 1.90   0.002% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.01 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  19.44 +/- 2.21 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.66 A violated in 20 structures by 14.78 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.06, residual support = 6.68:
          HA    CYS   21 - HD2   HIS   22   3.89 +/- 0.35  99.590% * 97.2923% (0.95   3.06   6.68) =  99.999%  kept
          HA    ALA   47 - HD2   HIS   22  11.10 +/- 1.04   0.298% *  0.1866% (0.28   0.02   0.02) =   0.001%
          HA    CYS   50 - HD2   HIS   22  14.17 +/- 1.63   0.059% *  0.6350% (0.95   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   HIS   22  15.17 +/- 0.82   0.035% *  0.6713% (1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  21.97 +/- 0.95   0.004% *  0.6478% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  18.55 +/- 0.83   0.010% *  0.1328% (0.20   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  22.60 +/- 1.02   0.003% *  0.4342% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.99, support = 3.22, residual support = 46.4:
          HA    ASN   28 - HD1   TRP   27   4.25 +/- 0.92  94.422% * 79.3801% (1.00   3.23  46.61) =  98.970%  kept
          HA    THR   26 - HD1   TRP   27   7.41 +/- 0.42   4.271% * 18.2188% (0.28   2.66  22.09) =   1.027%  kept
          HA    LYS+  81 - HD1   TRP   27  10.19 +/- 1.38   1.038% *  0.0975% (0.20   0.02   0.02) =   0.001%
          HA    ALA   34 - HD1   TRP   27  13.53 +/- 1.16   0.106% *  0.4550% (0.92   0.02   0.02) =   0.001%
          HA1   GLY  101 - HD1   TRP   27  15.26 +/- 3.40   0.109% *  0.3767% (0.76   0.02   0.02) =   0.001%
          HA    LEU  115 - HD1   TRP   27  20.62 +/- 1.06   0.011% *  0.4886% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  21.60 +/- 2.09   0.012% *  0.3386% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  17.20 +/- 1.26   0.026% *  0.0667% (0.14   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  24.28 +/- 1.32   0.004% *  0.2990% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  28.91 +/- 2.75   0.001% *  0.2791% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.22 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.82, residual support = 25.7:
          HA    VAL   24 - HD1   TRP   27   2.86 +/- 0.76  99.974% * 99.4928% (1.00   4.82  25.75) = 100.000%  kept
          HA    LYS+  38 - HD1   TRP   27  16.73 +/- 1.27   0.019% *  0.2842% (0.69   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  18.41 +/- 0.73   0.005% *  0.0819% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   68 - HD1   TRP   27  22.01 +/- 1.39   0.002% *  0.1411% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.06 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.66, residual support = 98.0:
      O T HB2   TRP   27 - HD1   TRP   27   2.71 +/- 0.25  99.961% * 99.7544% (0.65  10.0 10.00   3.66  97.98) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27  10.28 +/- 1.35   0.038% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  19.06 +/- 1.15   0.001% *  0.0998% (0.65   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 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.09, residual support = 98.0:
      O T HB3   TRP   27 - HD1   TRP   27   3.63 +/- 0.12  99.952% * 99.6316% (0.73  10.0 10.00   4.09  97.98) = 100.000%  kept
          QE    LYS+ 106 - HD1   TRP   27  15.84 +/- 1.13   0.016% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HD1   TRP   27  15.36 +/- 1.11   0.020% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  16.46 +/- 0.91   0.012% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (1.08, 7.19, 127.61 ppm):
    6 chemical-shift based assignments, quality = 0.761, support = 2.96, residual support = 25.6:
        T QG2   VAL   24 - HD1   TRP   27   2.68 +/- 0.76  88.793% * 95.9892% (0.76 10.00   2.97  25.75) =  99.599%  kept
          QG1   VAL   24 - HD1   TRP   27   4.39 +/- 1.08  11.197% *  3.0662% (0.31  1.00   1.58  25.75) =   0.401%
        T QG1   VAL  107 - HD1   TRP   27  16.11 +/- 0.85   0.005% *  0.8125% (0.65 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HD1   TRP   27  19.12 +/- 2.36   0.004% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  25.26 +/- 1.96   0.000% *  0.0280% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  26.37 +/- 1.92   0.000% *  0.0280% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.789, support = 2.93, residual support = 4.86:
          QG1   VAL   83 - HD1   TRP   27   2.80 +/- 1.25  79.196% * 37.2708% (0.80   2.94   3.93) =  82.113%  kept
          QD2   LEU   80 - HD1   TRP   27   4.36 +/- 1.05  10.446% * 40.1965% (0.87   2.92   6.41) =  11.681%  kept
          QD1   LEU   73 - HD1   TRP   27   5.81 +/- 0.89  10.263% * 21.7369% (0.49   2.82  14.30) =   6.206%  kept
          QG2   ILE   89 - HD1   TRP   27   9.18 +/- 0.98   0.073% *  0.0627% (0.20   0.02   0.02) =   0.000%
          QD1   LEU  104 - HD1   TRP   27  15.23 +/- 1.35   0.009% *  0.3141% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  14.92 +/- 2.10   0.011% *  0.1543% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  17.65 +/- 1.69   0.003% *  0.2647% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.881, support = 1.09, residual support = 9.37:
          QG2   VAL   83 - HD1   TRP   27   4.18 +/- 1.11  65.607% * 39.7280% (1.00   0.75   3.93) =  56.753%  kept
          QD2   LEU   31 - HD1   TRP   27   4.78 +/- 0.82  33.466% * 59.3219% (0.73   1.54  16.52) =  43.228%  kept
          QD1   ILE   89 - HD1   TRP   27   8.50 +/- 1.08   0.927% *  0.9501% (0.90   0.02   0.02) =   0.019%
    Distance limit 4.23 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 = 1.09, residual support = 98.0:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.994% * 99.7536% (0.28  10.0 10.00   1.09  97.98) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  13.24 +/- 1.50   0.006% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.82, residual support = 98.0:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.82  97.98) = 100.000%  kept
    Distance limit 4.71 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 = 1.51, residual support = 98.0:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.920% * 99.6432% (1.00  10.0   1.51  97.98) = 100.000%  kept
          HN    THR   23 - HZ3   TRP   27   9.32 +/- 0.94   0.050% *  0.0800% (0.61   1.0   0.02   1.88) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  11.36 +/- 1.18   0.015% *  0.0853% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  13.65 +/- 2.26   0.012% *  0.0294% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  15.52 +/- 1.27   0.002% *  0.0329% (0.25   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  19.73 +/- 1.40   0.000% *  0.1292% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 0.92, support = 1.34, residual support = 7.32:
        T QG1   VAL   43 - HH2   TRP   27   2.40 +/- 0.69  86.994% * 89.4290% (0.92 10.00   1.34   7.22) =  98.846%  kept
          HG    LEU   31 - HH2   TRP   27   4.53 +/- 1.62  11.609% *  7.6290% (0.65  1.00   1.63  16.52) =   1.125%  kept
          QG1   VAL   41 - HH2   TRP   27   5.62 +/- 1.48   0.869% *  2.5762% (1.00  1.00   0.36   0.02) =   0.028%
          QD2   LEU   73 - HH2   TRP   27   6.21 +/- 1.48   0.379% *  0.0706% (0.49  1.00   0.02  14.30) =   0.000%
          QG2   THR   46 - HH2   TRP   27  11.55 +/- 1.34   0.083% *  0.0880% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   27  11.56 +/- 1.14   0.018% *  0.1053% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27  11.36 +/- 1.29   0.018% *  0.0403% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  10.51 +/- 1.30   0.021% *  0.0254% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  15.19 +/- 1.51   0.008% *  0.0362% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.916, support = 2.43, residual support = 7.39:
        T QG1   VAL   43 - HZ3   TRP   27   2.88 +/- 0.75  69.730% * 90.5497% (0.92 10.00   2.44   7.22) =  97.952%  kept
          HG    LEU   31 - HZ3   TRP   27   4.41 +/- 1.73  15.795% *  5.3031% (0.65  1.00   1.67  16.52) =   1.299%  kept
          QD2   LEU   73 - HZ3   TRP   27   4.57 +/- 1.65  12.487% *  3.8497% (0.49  1.00   1.61  14.30) =   0.746%  kept
          QG1   VAL   41 - HZ3   TRP   27   6.00 +/- 1.69   1.220% *  0.0979% (1.00  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HZ3   TRP   27  10.72 +/- 1.54   0.552% *  0.0595% (0.61  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HZ3   TRP   27  10.14 +/- 1.09   0.082% *  0.0712% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HZ3   TRP   27   9.47 +/- 1.47   0.092% *  0.0273% (0.28  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  14.98 +/- 1.65   0.020% *  0.0245% (0.25  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  11.66 +/- 1.46   0.022% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.89, support = 1.95, residual support = 14.2:
        T QD1   LEU   73 - HZ3   TRP   27   3.23 +/- 1.28  45.711% * 93.5780% (0.90 10.00   1.96  14.30) =  98.533%  kept
          QD2   LEU   80 - HZ3   TRP   27   7.44 +/- 1.97  10.794% *  4.5784% (0.53  1.00   1.63   6.41) =   1.138%  kept
          QG2   VAL   41 - HZ3   TRP   27   3.71 +/- 2.11  37.701% *  0.3756% (0.28  1.00   0.25   0.02) =   0.326%
          QD1   LEU   80 - HZ3   TRP   27   8.11 +/- 1.68   3.504% *  0.0165% (0.15  1.00   0.02   6.41) =   0.001%
          QD2   LEU   98 - HZ3   TRP   27   5.28 +/- 1.49   2.224% *  0.0165% (0.15  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HZ3   TRP   27  11.12 +/- 2.01   0.028% *  0.9565% (0.90 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HZ3   TRP   27  11.34 +/- 1.78   0.017% *  0.3292% (0.31 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  11.73 +/- 2.16   0.017% *  0.0891% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  14.47 +/- 1.59   0.006% *  0.0604% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.762, support = 2.63, residual support = 16.5:
        T QD2   LEU   31 - HZ3   TRP   27   3.03 +/- 1.62  84.731% * 98.5996% (0.76 10.00   2.64  16.52) =  99.770%  kept
          QG2   VAL   83 - HZ3   TRP   27   6.35 +/- 1.84  14.882% *  1.2885% (1.00  1.00   0.20   3.93) =   0.229%
          QD1   ILE   89 - HZ3   TRP   27   8.04 +/- 1.24   0.387% *  0.1119% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 3 structures by 0.40 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.768, support = 2.7, residual support = 16.3:
          QD2   LEU   31 - HH2   TRP   27   3.42 +/- 1.36  83.640% * 90.6296% (0.76   2.75  16.52) =  98.329%  kept
          QG2   VAL   83 - HH2   TRP   27   6.09 +/- 1.68  14.805% *  8.6216% (1.00   0.20   3.93) =   1.656%  kept
          QD1   ILE   89 - HH2   TRP   27   7.18 +/- 1.32   1.555% *  0.7488% (0.87   0.02   0.02) =   0.015%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.921, support = 1.87, residual support = 12.6:
          QD1   LEU   73 - HH2   TRP   27   5.00 +/- 0.86  10.116% * 61.5728% (1.00   2.03  14.30) =  80.585%  kept
          QD2   LEU   80 - HH2   TRP   27   8.16 +/- 1.73   3.287% * 33.7564% (0.76   1.45   6.41) =  14.357%  kept
          QG1   VAL   83 - HH2   TRP   27   6.21 +/- 1.25  11.719% *  2.8062% (0.15   0.60   3.93) =   4.255%  kept
          QG2   VAL   41 - HH2   TRP   27   3.45 +/- 1.87  74.749% *  0.0823% (0.14   0.02   0.02) =   0.796%  kept
          QD1   LEU   63 - HH2   TRP   27  11.47 +/- 2.03   0.037% *  0.6067% (1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HH2   TRP   27  10.45 +/- 1.71   0.053% *  0.3199% (0.53   0.02   0.02) =   0.002%
          QD2   LEU   63 - HH2   TRP   27  12.11 +/- 2.19   0.025% *  0.3688% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  115 - HH2   TRP   27  14.44 +/- 1.73   0.013% *  0.4869% (0.80   0.02   0.02) =   0.001%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.09, residual support = 98.0:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.09  97.98) = 100.000%  kept
    Distance limit 3.56 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 = 0.976, support = 0.824, residual support = 7.88:
          HZ2   TRP   87 - HZ2   TRP   27   2.39 +/- 0.63  98.576% * 24.7485% (0.98   0.75   6.22) =  95.885%  kept
          HD21  ASN   28 - HZ2   TRP   27   5.70 +/- 0.40   1.405% * 74.5032% (0.87   2.55  46.61) =   4.115%  kept
          QE    PHE   60 - HZ2   TRP   27  11.82 +/- 1.32   0.017% *  0.4625% (0.69   0.02   0.02) =   0.000%
          HN    LEU   63 - HZ2   TRP   27  18.06 +/- 1.16   0.002% *  0.1679% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  20.47 +/- 1.22   0.001% *  0.1179% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.2, residual support = 98.0:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.20  97.98) = 100.000%  kept
    Distance limit 4.47 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 = 6.22:
          HE1   TRP   87 - HZ2   TRP   27   4.28 +/- 0.82 100.000% *100.0000% (0.92   2.00   6.22) = 100.000%  kept
    Distance limit 4.40 A violated in 2 structures by 0.24 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.715, support = 2.34, residual support = 11.3:
        T QG2   VAL   43 - HZ2   TRP   27   3.53 +/- 0.77  56.277% * 49.3632% (0.90 10.00   1.06   7.22) =  55.650%  kept
        T QD2   LEU   31 - HZ2   TRP   27   3.79 +/- 0.75  43.723% * 50.6368% (0.49 10.00   3.96  16.52) =  44.350%  kept
    Distance limit 3.96 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 = 0.901, support = 2.63, residual support = 10.8:
        T QD1   ILE   89 - QD    PHE   45   2.75 +/- 0.37  77.416% * 88.4773% (0.90 10.00   2.64  11.12) =  96.381%  kept
          QG2   VAL   83 - QD    PHE   45   3.62 +/- 0.80  22.460% * 11.4510% (1.00  1.00   2.32   2.54) =   3.619%  kept
          QD2   LEU   31 - QD    PHE   45   8.38 +/- 0.45   0.125% *  0.0716% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.975, support = 2.57, residual support = 5.41:
          QG2   VAL   83 - QE    PHE   45   2.26 +/- 0.61  73.865% * 41.0704% (0.98   2.23   2.54) =  66.502%  kept
          QD1   ILE   89 - QE    PHE   45   2.78 +/- 0.30  26.031% * 58.7017% (0.97   3.24  11.12) =  33.497%  kept
          QD2   LEU   31 - QE    PHE   45   6.91 +/- 0.52   0.104% *  0.2279% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.74 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 = 17.9:
        T QG1   VAL   75 - QD    PHE   45   2.53 +/- 0.61  99.888% * 99.9034% (1.00 10.00   2.96  17.92) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45   9.10 +/- 1.17   0.112% *  0.0966% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 2.0, residual support = 17.9:
        T HB    VAL   75 - QD    PHE   45   3.95 +/- 0.88  94.839% * 99.7392% (0.99 10.00   2.00  17.92) =  99.998%  kept
          HG3   LYS+  74 - QD    PHE   45   7.92 +/- 0.44   2.807% *  0.0378% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD    PHE   45   9.54 +/- 0.73   0.826% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    PHE   45  10.61 +/- 0.73   0.420% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    PHE   45  11.75 +/- 1.19   0.341% *  0.0610% (0.61  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD    PHE   45   9.94 +/- 0.91   0.588% *  0.0343% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  12.64 +/- 0.80   0.178% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 2 structures by 0.28 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.629, support = 2.34, residual support = 8.86:
        T QG2   THR   77 - QD    PHE   45   3.13 +/- 0.40  85.465% * 76.1631% (0.65 10.00   2.25   8.43) =  96.016%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.49 +/- 0.06  11.585% * 23.2995% (0.20 10.00   4.41  19.16) =   3.982%  kept
          HB3   LEU   80 - QD    PHE   45   6.32 +/- 1.15   2.301% *  0.0442% (0.38  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD    PHE   45   7.57 +/- 0.33   0.529% *  0.1136% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    PHE   45  10.99 +/- 1.32   0.075% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  12.54 +/- 0.54   0.026% *  0.0619% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD    PHE   45  14.38 +/- 1.42   0.012% *  0.0714% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  16.18 +/- 0.65   0.005% *  0.1021% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  20.06 +/- 0.48   0.002% *  0.1114% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.742, support = 0.75, residual support = 25.1:
          QG2   THR   94 - QD    PHE   45   3.82 +/- 0.66  74.015% * 67.1270% (0.80   0.75  27.03) =  88.143%  kept
          HG12  ILE   89 - QD    PHE   45   4.70 +/- 0.49  25.818% * 25.8744% (0.31   0.75  11.12) =  11.851%  kept
          HB3   LEU   71 - QD    PHE   45  12.66 +/- 0.94   0.080% *  2.2157% (0.99   0.02   0.02) =   0.003%
          HD2   LYS+ 112 - QD    PHE   45  15.26 +/- 1.71   0.028% *  2.2355% (1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD    PHE   45  15.49 +/- 0.95   0.022% *  1.7084% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD    PHE   45  14.18 +/- 1.09   0.038% *  0.8390% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.31 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 = 17.9:
        T QG1   VAL   75 - QE    PHE   45   2.78 +/- 0.42  99.950% * 99.9191% (0.90 10.00   2.31  17.92) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  10.39 +/- 1.14   0.050% *  0.0809% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.588, support = 0.544, residual support = 10.2:
          HB    ILE   89 - QE    PHE   45   3.82 +/- 0.55  19.182% * 93.0372% (0.61   0.59  11.12) =  91.882%  kept
          HB    VAL   43 - QE    PHE   45   2.59 +/- 0.80  80.717% *  1.9517% (0.38   0.02   0.02) =   8.111%  kept
          QD    LYS+  81 - QE    PHE   45   9.60 +/- 0.70   0.060% *  1.6051% (0.31   0.02   0.02) =   0.005%
          QG1   ILE   56 - QE    PHE   45  10.73 +/- 1.08   0.026% *  0.8024% (0.15   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QE    PHE   45  13.48 +/- 1.09   0.007% *  1.4459% (0.28   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QE    PHE   45  13.19 +/- 0.92   0.007% *  1.1578% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 2.0, residual support = 9.7:
          HB3   MET   96 - QE    PHE   45   2.94 +/- 0.98  99.827% * 93.6218% (0.45   2.00   9.70) =  99.997%  kept
          HB    VAL   18 - QE    PHE   45  12.00 +/- 0.87   0.088% *  1.4344% (0.69   0.02   0.02) =   0.001%
          HB2   LEU   40 - QE    PHE   45  13.37 +/- 0.48   0.037% *  1.7443% (0.84   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QE    PHE   45  15.95 +/- 1.56   0.016% *  1.9277% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   67 - QE    PHE   45  14.21 +/- 1.13   0.027% *  0.8585% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QE    PHE   45  19.09 +/- 1.54   0.005% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.06 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.222, support = 1.96, residual support = 9.69:
        T HB2   MET   96 - QE    PHE   45   3.73 +/- 0.88  93.964% * 89.0350% (0.22 10.00   1.96   9.70) =  99.864%  kept
          HB3   ASP-  76 - QE    PHE   45   8.92 +/- 0.38   1.237% *  8.4878% (0.73  1.00   0.57   0.02) =   0.125%
          QG    GLN   90 - QE    PHE   45   7.15 +/- 0.84   3.654% *  0.0909% (0.22  1.00   0.02   0.02) =   0.004%
        T HB3   PHE   72 - QE    PHE   45  10.42 +/- 0.73   0.442% *  0.7150% (0.18 10.00   0.02   0.02) =   0.004%
          HG3   MET   92 - QE    PHE   45  12.07 +/- 0.91   0.251% *  0.3940% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   45  12.88 +/- 0.96   0.162% *  0.3662% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   45  11.47 +/- 1.05   0.146% *  0.3769% (0.92  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - QE    PHE   45  12.55 +/- 0.92   0.095% *  0.2148% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   45  16.08 +/- 0.98   0.025% *  0.2641% (0.65  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  17.44 +/- 1.67   0.024% *  0.0553% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 2 structures by 0.11 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.4:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  98.424% * 99.8696% (0.53  10.0 10.00   1.00  80.43) =  99.998%  kept
          HZ3   TRP   27 - QE    PHE   45   5.89 +/- 1.17   1.576% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (6.84, 6.68, 130.18 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.52, residual support = 80.4:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.997% * 99.6976% (0.65  10.0   3.52  80.43) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  13.35 +/- 1.16   0.003% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  18.57 +/- 1.46   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  18.64 +/- 1.15   0.000% *  0.0305% (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 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 9.7:
          HB3   MET   96 - QD    PHE   45   4.52 +/- 0.52  99.006% * 96.5080% (0.80   2.00   9.70) =  99.994%  kept
          HB    VAL   18 - QD    PHE   45  11.18 +/- 0.84   0.535% *  0.4111% (0.34   0.02   0.02) =   0.002%
          HB2   LEU   40 - QD    PHE   45  14.46 +/- 0.27   0.115% *  1.2052% (1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD    PHE   45  13.79 +/- 1.53   0.184% *  0.7310% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD    PHE   45  14.15 +/- 1.05   0.137% *  0.1860% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD    PHE   45  19.27 +/- 1.55   0.020% *  0.5867% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - QD    PHE   45  28.00 +/- 1.90   0.002% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 2 structures by 0.17 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.872, support = 1.92, residual support = 8.92:
          HB2   MET   96 - QD    PHE   45   5.56 +/- 0.47  81.162% * 63.6423% (0.87   2.00   9.70) =  91.974%  kept
          HB3   ASP-  76 - QD    PHE   45   7.61 +/- 0.35  13.255% * 33.8754% (0.92   1.00   0.02) =   7.995%  kept
          HG3   MET   92 - QD    PHE   45  10.34 +/- 0.96   3.123% *  0.2503% (0.34   0.02   0.02) =   0.014%
          HB2   ASP- 105 - QD    PHE   45  11.75 +/- 0.84   1.001% *  0.5328% (0.73   0.02   0.02) =   0.009%
          HB    VAL   70 - QD    PHE   45  13.92 +/- 0.69   0.366% *  0.3289% (0.45   0.02   0.02) =   0.002%
          QG    GLN   17 - QD    PHE   45  14.47 +/- 0.76   0.304% *  0.2754% (0.38   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QD    PHE   45  13.88 +/- 0.62   0.375% *  0.2040% (0.28   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD    PHE   45  14.25 +/- 0.78   0.331% *  0.1829% (0.25   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QD    PHE   45  17.77 +/- 0.94   0.083% *  0.7081% (0.97   0.02   0.02) =   0.001%
    Distance limit 4.90 A violated in 3 structures by 0.52 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 80.4:
      O T HB3   PHE   45 - QD    PHE   45   2.30 +/- 0.08  99.872% * 99.5701% (0.80  10.0 10.00   4.93  80.43) = 100.000%  kept
          HB3   ASP-  86 - QD    PHE   45   8.13 +/- 0.56   0.058% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QD    PHE   45   8.19 +/- 0.84   0.064% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  13.45 +/- 1.44   0.003% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  13.85 +/- 1.00   0.002% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  15.68 +/- 0.60   0.001% *  0.1200% (0.97   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 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.22, residual support = 80.4:
      O T HB2   PHE   45 - QD    PHE   45   2.64 +/- 0.09  99.921% * 99.8423% (0.97  10.0 10.00   4.22  80.43) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   9.09 +/- 0.85   0.074% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  14.17 +/- 0.75   0.004% *  0.1032% (1.00   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 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.0:
          HB    THR   94 - QD    PHE   45   3.63 +/- 0.31  97.700% * 93.8952% (0.69   2.96  27.03) =  99.987%  kept
          QB    SER   85 - QD    PHE   45   8.33 +/- 0.45   0.808% *  0.8745% (0.95   0.02   0.02) =   0.008%
          QB    SER   48 - QD    PHE   45   9.70 +/- 0.78   0.370% *  0.7403% (0.80   0.02   0.02) =   0.003%
          HA    ALA   88 - QD    PHE   45   8.22 +/- 0.31   0.865% *  0.1426% (0.15   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    PHE   45  11.53 +/- 1.01   0.125% *  0.2853% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   45  14.12 +/- 0.45   0.032% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  16.07 +/- 0.83   0.015% *  0.8291% (0.90   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  13.73 +/- 0.90   0.038% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  17.01 +/- 0.69   0.010% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  17.53 +/- 0.80   0.009% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  16.78 +/- 0.82   0.011% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  16.06 +/- 0.55   0.015% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.341, support = 4.32, residual support = 19.1:
          HA    ASP-  44 - QD    PHE   45   2.65 +/- 0.33  94.164% * 82.9872% (0.34   4.35  19.16) =  99.191%  kept
          HB    THR   77 - QD    PHE   45   5.38 +/- 0.86   5.455% * 11.6620% (0.28   0.75   8.43) =   0.808%  kept
          HA    ASP-  86 - QD    PHE   45   9.32 +/- 0.45   0.058% *  1.0964% (0.98   0.02   0.02) =   0.001%
          HA    SER   85 - QD    PHE   45   8.21 +/- 0.50   0.131% *  0.3110% (0.28   0.02   0.02) =   0.001%
          HA    TRP   87 - QD    PHE   45   7.81 +/- 0.47   0.170% *  0.1726% (0.15   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   45  13.98 +/- 0.78   0.005% *  0.9343% (0.84   0.02   0.02) =   0.000%
          HA    ILE  103 - QD    PHE   45  11.74 +/- 0.90   0.016% *  0.2214% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  19.84 +/- 1.17   0.001% *  1.1160% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  24.96 +/- 1.69   0.000% *  1.0794% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  26.86 +/- 1.99   0.000% *  0.4198% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 80.4:
          HA    PHE   45 - QD    PHE   45   3.15 +/- 0.27  99.540% * 96.7748% (0.25   4.93  80.43) =  99.997%  kept
          HA    MET   92 - QD    PHE   45   8.53 +/- 1.18   0.387% *  0.3923% (0.25   0.02   0.02) =   0.002%
          HA    VAL   41 - QD    PHE   45  10.78 +/- 0.21   0.068% *  1.2597% (0.80   0.02   0.02) =   0.001%
          HA    HIS  122 - QD    PHE   45  16.53 +/- 1.09   0.006% *  1.5732% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (8.76, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.57, residual support = 78.1:
          HN    PHE   45 - QD    PHE   45   2.06 +/- 0.35  95.094% * 56.0940% (0.45   5.62  80.43) =  96.172%  kept
          HN    ASP-  44 - QD    PHE   45   4.04 +/- 0.37   4.893% * 43.3837% (0.45   4.35  19.16) =   3.828%  kept
          HN    ALA  110 - QD    PHE   45  10.23 +/- 1.25   0.008% *  0.3057% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  11.80 +/- 0.68   0.005% *  0.2166% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 80.4:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.994% * 99.7606% (0.98  10.0   1.00  80.43) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  11.32 +/- 0.91   0.006% *  0.1766% (0.87   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  19.92 +/- 1.29   0.000% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.638, support = 4.03, residual support = 43.4:
          HN    TRP   49 - HD1   TRP   49   2.48 +/- 0.91  70.952% * 34.6346% (0.38   4.59  74.62) =  56.507%  kept
          HN    CYS   50 - HD1   TRP   49   3.12 +/- 1.23  29.045% * 65.1214% (0.98   3.30   2.84) =  43.493%  kept
          HN    VAL   83 - HD1   TRP   49  15.64 +/- 1.51   0.003% *  0.2440% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.05, residual support = 74.6:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.05  74.62) = 100.000%  kept
    Distance limit 3.52 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 = 74.6:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 99.8040% (0.41  10.0   1.00  74.62) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  17.94 +/- 1.15   0.001% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  23.21 +/- 2.22   0.000% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 74.6:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  74.62) = 100.000%  kept
    Distance limit 4.37 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 = 74.6:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 99.8708% (1.00  10.0   1.00  74.62) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  23.37 +/- 2.78   0.000% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.898, support = 1.39, residual support = 7.68:
          QD1   ILE   89 - HZ    PHE   45   3.30 +/- 0.47  55.287% * 53.9752% (0.84   1.57  11.12) =  59.950%  kept
          QG2   VAL   83 - HZ    PHE   45   3.42 +/- 0.59  43.933% * 45.3653% (0.99   1.11   2.54) =  40.039%  kept
          QD2   LEU   31 - HZ    PHE   45   7.04 +/- 0.62   0.780% *  0.6595% (0.80   0.02   0.02) =   0.010%
    Distance limit 4.54 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 = 3.8, residual support = 74.6:
      O T HB2   TRP   49 - HD1   TRP   49   2.99 +/- 0.26  99.930% * 99.5547% (0.65  10.0 10.00   3.80  74.62) = 100.000%  kept
          HA    VAL   75 - HD1   TRP   49  13.10 +/- 1.52   0.021% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HD1   TRP   49  12.67 +/- 1.61   0.025% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD1   TRP   49  14.13 +/- 1.55   0.014% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  14.67 +/- 1.35   0.009% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  22.15 +/- 1.54   0.001% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  22.53 +/- 2.06   0.001% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 3.8, residual support = 74.6:
      O T HB3   TRP   49 - HD1   TRP   49   3.81 +/- 0.21  99.978% * 99.9191% (0.90  10.0 10.00   3.80  74.62) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  16.35 +/- 1.60   0.022% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.19 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.83, residual support = 16.1:
          QB    ALA   47 - HD1   TRP   49   2.53 +/- 1.10  99.978% * 99.0396% (0.84   3.83  16.09) = 100.000%  kept
          QG1   VAL   42 - HD1   TRP   49  16.06 +/- 1.19   0.006% *  0.4500% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  16.80 +/- 3.11   0.010% *  0.2326% (0.38   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  16.98 +/- 1.32   0.005% *  0.2778% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.867, support = 0.749, residual support = 3.49:
          HB3   PRO   52 - HZ2   TRP   49   4.64 +/- 0.53  94.763% * 69.1350% (0.87  1.00   0.75   3.49) =  99.912%  kept
          HB3   GLN   90 - HZ2   TRP   49   9.45 +/- 1.70   3.281% *  0.9529% (0.45  1.00   0.02   0.02) =   0.048%
          HG2   ARG+  54 - HZ2   TRP   49  10.05 +/- 0.89   1.464% *  1.4599% (0.69  1.00   0.02   0.02) =   0.033%
          QB    LYS+  81 - HZ2   TRP   49  13.50 +/- 1.61   0.300% *  0.7977% (0.38  1.00   0.02   0.02) =   0.004%
        T HG    LEU  123 - HZ2   TRP   49  25.29 +/- 2.48   0.007% * 18.4360% (0.87 10.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HZ2   TRP   49  15.00 +/- 1.05   0.121% *  0.7250% (0.34  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HZ2   TRP   49  21.01 +/- 1.75   0.019% *  1.3749% (0.65  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HZ2   TRP   49  22.48 +/- 1.55   0.010% *  1.2891% (0.61  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   49  23.30 +/- 1.45   0.008% *  1.5433% (0.73  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  21.58 +/- 1.77   0.014% *  0.5909% (0.28  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  23.54 +/- 1.25   0.008% *  0.9529% (0.45  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  26.50 +/- 1.44   0.004% *  1.1182% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  29.49 +/- 1.54   0.002% *  1.6243% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 4 structures by 0.36 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.03, residual support = 16.1:
          QB    ALA   47 - HZ2   TRP   49   4.07 +/- 0.78  94.881% * 98.0051% (0.69   2.03  16.09) =  99.981%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  13.99 +/- 3.75   5.079% *  0.3498% (0.25   0.02   0.02) =   0.019%
          QG1   VAL   42 - HZ2   TRP   49  16.02 +/- 1.05   0.024% *  0.7942% (0.57   0.02   0.02) =   0.000%
          QB    ALA   64 - HZ2   TRP   49  17.36 +/- 1.23   0.016% *  0.8509% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 1 structures by 0.17 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.347, support = 0.741, residual support = 3.45:
          HG2   PRO   52 - HH2   TRP   49   3.93 +/- 0.63  84.877% * 73.0242% (0.34   0.75   3.49) =  98.808%  kept
          HG2   MET   92 - HH2   TRP   49   6.30 +/- 1.53  15.001% *  4.9520% (0.87   0.02   0.02) =   1.184%  kept
          QG    GLU- 114 - HH2   TRP   49  14.35 +/- 1.93   0.078% *  4.5712% (0.80   0.02   0.02) =   0.006%
          HB2   GLU-  79 - HH2   TRP   49  17.05 +/- 2.05   0.017% *  4.1454% (0.73   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HH2   TRP   49  16.33 +/- 2.27   0.023% *  0.9998% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HH2   TRP   49  26.94 +/- 2.44   0.001% *  1.4235% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  36.44 +/- 2.40   0.000% *  4.9520% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HH2   TRP   49  28.92 +/- 2.04   0.001% *  1.1298% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  14 - HH2   TRP   49  28.29 +/- 2.21   0.001% *  0.8808% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HH2   TRP   49  37.03 +/- 2.76   0.000% *  3.9214% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 3.49:
          HB3   PRO   52 - HH2   TRP   49   4.51 +/- 0.42  98.017% * 92.8146% (0.87   2.00   3.49) =  99.987%  kept
          HG2   ARG+  54 - HH2   TRP   49   9.91 +/- 1.05   1.074% *  0.7350% (0.69   0.02   0.02) =   0.009%
          HB3   GLN   90 - HH2   TRP   49  11.19 +/- 1.76   0.703% *  0.4797% (0.45   0.02   0.02) =   0.004%
          QB    LYS+  81 - HH2   TRP   49  15.03 +/- 1.83   0.104% *  0.4016% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HH2   TRP   49  16.17 +/- 1.61   0.060% *  0.3650% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HH2   TRP   49  22.06 +/- 2.47   0.011% *  0.6922% (0.65   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  25.72 +/- 3.05   0.005% *  0.9281% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  23.92 +/- 1.95   0.005% *  0.6490% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  24.68 +/- 1.98   0.004% *  0.7770% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  22.16 +/- 2.24   0.009% *  0.2975% (0.28   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  25.04 +/- 1.93   0.004% *  0.4797% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  27.88 +/- 2.18   0.002% *  0.5629% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  30.35 +/- 2.39   0.001% *  0.8177% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 1 structures by 0.21 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.27, residual support = 20.5:
      O   QB    PHE   55 - QD    PHE   55   2.14 +/- 0.02  99.642% * 99.2903% (0.25  10.0   2.27  20.49) =  99.999%  kept
          HD2   ARG+  54 - QD    PHE   55   6.87 +/- 0.71   0.131% *  0.2415% (0.61   1.0   0.02   3.53) =   0.000%
          HD3   PRO   93 - QD    PHE   55   7.06 +/- 1.52   0.150% *  0.1358% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   55   7.74 +/- 0.71   0.077% *  0.2095% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  19.74 +/- 1.19   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 123 (4.46, 7.32, 132.31 ppm):
    6 chemical-shift based assignments, quality = 0.842, support = 2.05, residual support = 19.7:
          HA    PHE   55 - QD    PHE   55   2.91 +/- 0.29  94.511% * 57.4330% (0.84   2.09  20.49) =  96.033%  kept
          HA    ALA  110 - QD    PHE   55   6.66 +/- 2.91   5.416% * 41.3953% (1.00   1.26   0.16) =   3.966%  kept
          HA    VAL  107 - QD    PHE   55  11.38 +/- 1.50   0.038% *  0.2248% (0.34   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  14.85 +/- 1.16   0.007% *  0.6359% (0.97   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  11.98 +/- 1.25   0.026% *  0.1467% (0.22   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  17.13 +/- 0.91   0.003% *  0.1643% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.548, support = 1.41, residual support = 2.31:
          HB3   LEU  115 - QD    PHE   55   6.95 +/- 1.82  27.534% * 53.3336% (0.31  1.00   2.41   4.38) =  50.854%  kept
          QB    ALA  110 - QD    PHE   55   5.28 +/- 2.97  66.165% * 21.3019% (0.80  1.00   0.37   0.16) =  48.810%  kept
          QB    ALA   61 - QD    PHE   55   9.89 +/- 1.01   3.891% *  1.3837% (0.97  1.00   0.02   0.02) =   0.186%
        T QG    LYS+  66 - QD    PHE   55  14.03 +/- 1.59   0.251% * 13.5631% (0.95 10.00   0.02   0.02) =   0.118%
          HB3   LYS+  74 - QD    PHE   55  15.54 +/- 1.99   1.684% *  0.2511% (0.18  1.00   0.02   0.02) =   0.015%
        T HG    LEU   67 - QD    PHE   55  18.67 +/- 1.36   0.045% *  3.1921% (0.22 10.00   0.02   0.02) =   0.005%
          HG12  ILE   19 - QD    PHE   55  20.98 +/- 2.18   0.088% *  1.0412% (0.73  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - QD    PHE   55  18.98 +/- 1.41   0.073% *  1.1481% (0.80  1.00   0.02   0.02) =   0.003%
          HB3   LEU   67 - QD    PHE   55  18.79 +/- 1.11   0.037% *  1.4338% (1.00  1.00   0.02   0.02) =   0.002%
          HG    LEU   80 - QD    PHE   55  20.16 +/- 1.54   0.040% *  1.1976% (0.84  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QD    PHE   55  16.44 +/- 1.99   0.105% *  0.2837% (0.20  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD    PHE   55  19.85 +/- 1.96   0.055% *  0.4425% (0.31  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    PHE   55  20.01 +/- 1.02   0.024% *  0.4425% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   55  25.43 +/- 1.57   0.007% *  0.9849% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 6 structures by 0.84 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.865, support = 1.77, residual support = 4.37:
          QD2   LEU  115 - QD    PHE   55   6.03 +/- 1.79  87.520% * 86.8461% (0.87  1.00   1.78   4.38) =  99.771%  kept
          QD1   LEU   63 - QD    PHE   55   9.83 +/- 1.32   6.536% *  1.1238% (1.00  1.00   0.02   0.02) =   0.096%
        T QD2   LEU   80 - QD    PHE   55  17.16 +/- 1.50   0.709% *  9.4077% (0.84 10.00   0.02   0.02) =   0.088%
          QD2   LEU   63 - QD    PHE   55  11.43 +/- 1.41   3.824% *  0.5926% (0.53  1.00   0.02   0.02) =   0.030%
          QD1   LEU   73 - QD    PHE   55  16.66 +/- 1.27   0.768% *  1.1238% (1.00  1.00   0.02   0.02) =   0.011%
          QD1   LEU  104 - QD    PHE   55  17.85 +/- 1.02   0.274% *  0.6831% (0.61  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD    PHE   55  17.59 +/- 1.16   0.369% *  0.2229% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 13 structures by 1.95 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.99, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   4.64 +/- 1.21  99.656% * 72.5341% (0.99   0.02   0.02) =  99.869%  kept
          HB3   TRP   49 - QE    PHE   95  13.94 +/- 1.43   0.344% * 27.4659% (0.38   0.02   0.02) =   0.131%
    Distance limit 4.24 A violated in 7 structures by 0.75 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 = 0.299, support = 2.69, residual support = 43.0:
          HB    VAL  107 - QE    PHE   95   4.18 +/- 0.65  82.712% * 47.9331% (0.28  1.00   2.86  45.83) =  93.799%  kept
        T HB3   ASP-  62 - QE    PHE   95   7.92 +/- 1.16   5.134% * 31.7867% (0.57 10.00   0.09   0.02) =   3.861%  kept
        T QE    LYS+ 112 - QE    PHE   95   7.68 +/- 1.90   6.883% *  8.2846% (0.69 10.00   0.02   0.02) =   1.349%  kept
          HB3   PHE   45 - QE    PHE   95   7.24 +/- 0.96   4.421% *  9.4127% (0.69  1.00   0.23   1.89) =   0.985%  kept
          HG3   MET   96 - QE    PHE   95   9.65 +/- 0.51   0.794% *  0.2387% (0.20  1.00   0.02  11.99) =   0.004%
          HB3   ASP-  86 - QE    PHE   95  15.10 +/- 0.65   0.047% *  1.1409% (0.95  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QE    PHE   95  20.62 +/- 0.99   0.008% *  1.2034% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.528, support = 0.465, residual support = 0.597:
          QG1   ILE   56 - QE    PHE   95   3.29 +/- 1.27  82.560% * 30.3721% (0.53   0.47   0.61) =  98.029%  kept
          QD    LYS+ 106 - QE    PHE   95   9.19 +/- 0.41   0.535% * 57.7279% (1.00   0.47   0.02) =   1.207%  kept
          HG3   PRO   93 - QE    PHE   95   5.43 +/- 0.97  13.079% *  0.9245% (0.38   0.02   0.02) =   0.473%
          HB3   MET   92 - QE    PHE   95   7.66 +/- 1.25   3.071% *  1.9725% (0.80   0.02   0.02) =   0.237%
          HB2   LEU   73 - QE    PHE   95  10.72 +/- 1.40   0.240% *  2.2739% (0.92   0.02   0.02) =   0.021%
          HD2   LYS+ 111 - QE    PHE   95  10.06 +/- 1.01   0.313% *  1.6921% (0.69   0.02   0.02) =   0.021%
          QD    LYS+  99 - QE    PHE   95  13.97 +/- 1.31   0.067% *  2.4633% (1.00   0.02   0.02) =   0.006%
          HB2   LEU  123 - QE    PHE   95  12.79 +/- 0.94   0.079% *  1.0127% (0.41   0.02   0.02) =   0.003%
          HB3   LYS+  99 - QE    PHE   95  14.51 +/- 1.21   0.041% *  1.0127% (0.41   0.02   0.02) =   0.002%
          QD    LYS+ 102 - QE    PHE   95  16.12 +/- 1.31   0.016% *  0.5484% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 2 structures by 0.14 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 = 0.683, support = 2.6, residual support = 45.5:
          QG2   VAL  107 - QE    PHE   95   3.07 +/- 0.82  96.282% * 73.3616% (0.69  1.00   2.61  45.83) =  98.993%  kept
          QG2   THR   94 - QE    PHE   95   6.03 +/- 0.41   2.990% * 23.8877% (0.34  1.00   1.71  14.41) =   1.001%  kept
        T QB    ALA   20 - QE    PHE   95  11.29 +/- 0.97   0.134% *  1.2615% (0.15 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - QE    PHE   95   8.50 +/- 1.07   0.427% *  0.3069% (0.38  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - QE    PHE   95  11.71 +/- 0.63   0.099% *  0.8158% (1.00  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QE    PHE   95  12.17 +/- 1.39   0.068% *  0.3666% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.885, support = 2.85, residual support = 7.56:
          QD2   LEU  115 - QE    PHE   95   3.65 +/- 1.04  66.197% * 71.1118% (0.87  1.00   3.15   8.47) =  86.607%  kept
          QD1   LEU   63 - QE    PHE   95   4.58 +/- 1.43  31.161% * 23.3279% (1.00  1.00   0.90   1.67) =  13.374%  kept
          QD2   LEU   63 - QE    PHE   95   6.35 +/- 1.46   2.231% *  0.2739% (0.53  1.00   0.02   1.67) =   0.011%
        T QD2   LEU   80 - QE    PHE   95  11.79 +/- 0.97   0.068% *  4.3483% (0.84 10.00   0.02   0.02) =   0.005%
          QD1   LEU   73 - QE    PHE   95   9.84 +/- 1.03   0.208% *  0.5194% (1.00  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - QE    PHE   95  11.56 +/- 1.40   0.074% *  0.3158% (0.61  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   95  11.85 +/- 0.69   0.061% *  0.1030% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 1.5, residual support = 8.47:
        T QD1   LEU  115 - QE    PHE   95   3.13 +/- 0.77  96.880% * 99.7022% (0.34 10.00   1.50   8.47) =  99.994%  kept
          QB    ALA   64 - QE    PHE   95   7.25 +/- 1.39   2.446% *  0.2206% (0.57  1.00   0.02   0.02) =   0.006%
          QG1   VAL   75 - QE    PHE   95   8.50 +/- 0.80   0.674% *  0.0771% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 1 structures by 0.05 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.12, residual support = 71.9:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  99.196% * 99.6206% (0.84  10.0   1.12  71.92) = 100.000%  kept
          HN    LEU   63 - QD    PHE   60   5.23 +/- 0.52   0.801% *  0.0329% (0.15   1.0   0.02  11.61) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  13.57 +/- 0.92   0.002% *  0.1914% (0.90   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   60  15.39 +/- 0.74   0.001% *  0.1550% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 3.78, residual support = 71.9:
      O T HB3   PHE   60 - QD    PHE   60   2.56 +/- 0.18  99.803% * 99.7227% (0.73  10.0 10.00   3.78  71.92) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   8.40 +/- 1.15   0.146% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.50 +/- 1.14   0.009% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  10.61 +/- 1.20   0.027% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  11.72 +/- 0.76   0.013% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  15.31 +/- 0.60   0.002% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  18.96 +/- 1.16   0.001% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.941, support = 1.05, residual support = 3.05:
          QD1   ILE   56 - QD    PHE   60   5.47 +/- 1.67  67.120% * 47.7754% (0.99  1.00   0.99   3.84) =  68.503%  kept
          QD2   LEU   73 - QD    PHE   60   6.91 +/- 0.94  29.903% * 49.1727% (0.84  1.00   1.21   1.32) =  31.412%  kept
        T QG1   VAL   41 - QD    PHE   60  11.25 +/- 1.19   1.905% *  1.7103% (0.18 10.00   0.02   0.02) =   0.070%
          HG3   LYS+ 121 - QD    PHE   60  13.38 +/- 1.58   0.642% *  0.6708% (0.69  1.00   0.02   0.02) =   0.009%
          HG    LEU   31 - QD    PHE   60  13.85 +/- 1.18   0.430% *  0.6708% (0.69  1.00   0.02   0.02) =   0.006%
    Distance limit 3.86 A violated in 12 structures by 1.26 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.81, residual support = 2.43:
          QB    ALA   64 - QD    PHE   60   4.33 +/- 1.13 100.000% *100.0000% (0.95   1.81   2.43) = 100.000%  kept
    Distance limit 3.79 A violated in 7 structures by 0.76 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.11, residual support = 62.7:
          HN    PHE   97 - QD    PHE   97   3.01 +/- 0.65  99.883% * 99.3292% (0.97   4.11  62.70) = 100.000%  kept
          HN    LEU  115 - QD    PHE   97  10.59 +/- 1.00   0.098% *  0.4838% (0.97   0.02   0.02) =   0.000%
          HN    ASP- 113 - QD    PHE   97  13.87 +/- 0.90   0.018% *  0.0992% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  23.70 +/- 2.56   0.001% *  0.0878% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.685, support = 1.05, residual support = 1.29:
          HA    THR  118 - QD    PHE   97   6.19 +/- 1.17  55.747% * 41.0422% (0.61   1.01   1.81) =  50.210%  kept
          HA    ILE  119 - QD    PHE   97   6.76 +/- 1.92  40.564% * 55.8807% (0.76   1.09   0.75) =  49.744%  kept
          HA    ALA   84 - QD    PHE   97  13.32 +/- 1.00   1.228% *  0.6551% (0.49   0.02   0.02) =   0.018%
          HA    VAL   75 - QD    PHE   97  13.09 +/- 1.01   0.835% *  0.7080% (0.53   0.02   0.02) =   0.013%
          HA2   GLY  109 - QD    PHE   97  13.13 +/- 0.89   1.071% *  0.4154% (0.31   0.02   0.02) =   0.010%
          HD3   PRO   58 - QD    PHE   97  14.01 +/- 1.45   0.491% *  0.3742% (0.28   0.02   0.02) =   0.004%
          HB2   TRP   49 - QD    PHE   97  21.14 +/- 1.16   0.063% *  0.9244% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 13 structures by 1.52 A, kept.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.44, residual support = 62.7:
      O T HB2   PHE   97 - QD    PHE   97   2.47 +/- 0.15  97.094% * 99.6874% (0.90  10.0 10.00   2.44  62.70) =  99.997%  kept
          QE    LYS+ 106 - QD    PHE   97   5.89 +/- 1.11   2.187% *  0.1051% (0.95   1.0  1.00   0.02  10.18) =   0.002%
          QE    LYS+  99 - QD    PHE   97   6.80 +/- 1.42   0.671% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    PHE   97  10.05 +/- 1.80   0.041% *  0.0890% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  12.61 +/- 0.91   0.006% *  0.0964% (0.87   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 143 (2.36, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 62.7:
      O T HB3   PHE   97 - QD    PHE   97   2.52 +/- 0.19  99.969% * 99.7112% (1.00  10.0 10.00   2.74  62.70) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  11.14 +/- 1.19   0.016% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  12.24 +/- 1.30   0.011% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  14.84 +/- 1.75   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  16.97 +/- 1.04   0.001% *  0.0308% (0.31   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 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.799, support = 1.01, residual support = 2.24:
          QG1   VAL  107 - QD    PHE   97   5.49 +/- 0.90  84.815% * 59.1073% (0.84   0.99   2.39) =  91.382%  kept
          HG13  ILE  119 - QD    PHE   97   8.17 +/- 1.86  12.581% * 37.4109% (0.41   1.27   0.75) =   8.579%  kept
          HB3   LEU   31 - QD    PHE   97  11.23 +/- 0.82   2.021% *  0.6428% (0.45   0.02   0.02) =   0.024%
          QG1   VAL   24 - QD    PHE   97  14.44 +/- 0.94   0.391% *  1.4337% (1.00   0.02   0.02) =   0.010%
          HD3   LYS+ 112 - QD    PHE   97  15.41 +/- 1.73   0.193% *  1.4053% (0.98   0.02   0.02) =   0.005%
    Distance limit 3.88 A violated in 13 structures by 1.47 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.706, support = 3.15, residual support = 16.6:
          HB2   LEU  104 - QD    PHE   97   4.09 +/- 0.79  84.273% * 57.7953% (0.69   3.30  17.96) =  91.973%  kept
          QD1   ILE  119 - QD    PHE   97   7.38 +/- 1.88  11.162% * 35.6970% (0.95   1.48   0.75) =   7.524%  kept
          QG2   VAL  108 - QD    PHE   97   7.32 +/- 0.79   4.286% *  6.1983% (0.53   0.46   0.02) =   0.502%  kept
          HB    VAL   75 - QD    PHE   97  11.41 +/- 1.19   0.279% *  0.3094% (0.61   0.02   0.02) =   0.002%
    Distance limit 4.03 A violated in 1 structures by 0.13 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.199, support = 1.39, residual support = 1.8:
          QG2   THR  118 - QD    PHE   97   3.88 +/- 1.20  74.989% * 97.5962% (0.20   1.40   1.81) =  99.185%  kept
          QG2   VAL   70 - QD    PHE   97   5.34 +/- 1.70  25.011% *  2.4038% (0.34   0.02   0.02) =   0.815%  kept
    Distance limit 4.17 A violated in 2 structures by 0.22 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.988, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.73 +/- 1.64  92.166% * 85.0969% (1.00   0.02   0.02) =  98.533%  kept
          QB    ALA   47 - QD    PHE   97  13.69 +/- 0.77   7.834% * 14.9031% (0.18   0.02   0.02) =   1.467%  kept
    Distance limit 4.50 A violated in 20 structures by 4.09 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.99, residual support = 30.3:
          HN    LEU  115 - QD    PHE   59   5.75 +/- 0.88  84.849% * 99.0824% (0.97   2.99  30.29) =  99.962%  kept
          HN    ASP- 113 - QD    PHE   59   8.10 +/- 1.19  12.934% *  0.1357% (0.20   0.02   0.02) =   0.021%
          HN    PHE   97 - QD    PHE   59  10.95 +/- 1.15   2.201% *  0.6618% (0.97   0.02   0.02) =   0.017%
          HN    ALA   12 - QD    PHE   59  25.21 +/- 1.57   0.016% *  0.1201% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 11 structures by 1.10 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 2.97, residual support = 58.0:
          HA    PHE   59 - QD    PHE   59   3.04 +/- 0.40  92.699% * 77.9560% (0.61   3.01  58.70) =  98.202%  kept
          HA    ILE   56 - QD    PHE   59   5.14 +/- 0.96   6.797% * 19.4101% (0.61   0.75  20.70) =   1.793%  kept
          HA    ASP- 113 - QD    PHE   59   7.89 +/- 0.88   0.439% *  0.8515% (1.00   0.02   0.02) =   0.005%
          HA    LEU  123 - QD    PHE   59  10.99 +/- 0.74   0.052% *  0.4154% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  15.82 +/- 1.33   0.007% *  0.6833% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  16.85 +/- 1.27   0.005% *  0.1317% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  21.16 +/- 1.31   0.001% *  0.5521% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (3.69, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 2.16, residual support = 20.7:
        T HA    ILE  119 - QD    PHE   59   5.43 +/- 0.65  81.971% * 57.6662% (1.00 10.00   2.25  21.96) =  87.759%  kept
        T HA    THR  118 - QD    PHE   59   7.32 +/- 0.99  15.631% * 42.1758% (0.95 10.00   1.54  11.65) =  12.240%  kept
          HA2   GLY  109 - QD    PHE   59  11.60 +/- 1.49   1.674% *  0.0397% (0.69  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - QD    PHE   59  16.05 +/- 1.34   0.164% *  0.0501% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD    PHE   59  16.85 +/- 1.49   0.117% *  0.0567% (0.98  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QD    PHE   59  13.85 +/- 1.62   0.443% *  0.0114% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 9 structures by 0.79 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.71, residual support = 58.7:
      O   HB2   PHE   59 - QD    PHE   59   2.47 +/- 0.12  99.750% * 99.6982% (0.97  10.0   2.71  58.70) = 100.000%  kept
          QB    PHE   55 - QD    PHE   59   7.57 +/- 0.90   0.156% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59   9.89 +/- 1.20   0.035% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   59   9.88 +/- 1.54   0.040% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  12.06 +/- 1.32   0.010% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  11.96 +/- 1.05   0.009% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (3.17, 7.19, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 58.7:
      O   HB3   PHE   59 - QD    PHE   59   2.41 +/- 0.16  99.999% * 99.9680% (0.97  10.0   3.14  58.70) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.42 +/- 1.55   0.001% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 153 (2.35, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 2.67, residual support = 27.3:
          HB2   PRO   58 - QD    PHE   59   5.75 +/- 1.00  48.006% * 67.8165% (0.99   2.95  40.18) =  67.396%  kept
          HB2   GLN  116 - QD    PHE   59   5.73 +/- 0.72  50.032% * 31.4638% (0.65   2.09   0.64) =  32.589%  kept
          HB3   PHE   97 - QD    PHE   59  10.61 +/- 1.35   1.922% *  0.3719% (0.80   0.02   0.02) =   0.015%
          HB2   GLU- 100 - QD    PHE   59  19.93 +/- 1.66   0.033% *  0.2444% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QD    PHE   59  25.11 +/- 1.47   0.007% *  0.1034% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 7 structures by 0.58 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 20.7:
        T QG1   ILE   56 - QD    PHE   59   3.41 +/- 0.65  99.633% * 99.7160% (0.97 10.00   1.97  20.70) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59  11.09 +/- 1.21   0.209% *  0.0357% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  14.51 +/- 1.27   0.032% *  0.0838% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  15.34 +/- 1.36   0.025% *  0.1044% (1.00  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  14.33 +/- 1.13   0.036% *  0.0393% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  13.22 +/- 1.58   0.065% *  0.0207% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.544, support = 2.52, residual support = 30.3:
          HB3   LEU  115 - QD    PHE   59   3.81 +/- 1.60  48.958% * 71.5781% (0.65   2.38  30.29) =  79.097%  kept
          HG    LEU  115 - QD    PHE   59   3.87 +/- 0.76  42.187% * 21.8341% (0.15   3.04  30.29) =  20.791%  kept
          QB    ALA   61 - QD    PHE   59   6.28 +/- 0.51   3.661% *  0.6384% (0.69   0.02   0.64) =   0.053%
          QG    LYS+  66 - QD    PHE   59   7.65 +/- 1.17   2.032% *  0.8970% (0.97   0.02   0.02) =   0.041%
          QB    ALA  120 - QD    PHE   59   7.06 +/- 0.56   2.153% *  0.1434% (0.15   0.02   0.02) =   0.007%
          QB    ALA  110 - QD    PHE   59   8.07 +/- 1.55   0.683% *  0.4167% (0.45   0.02   0.02) =   0.006%
          HB3   LEU   67 - QD    PHE   59  11.07 +/- 0.88   0.104% *  0.7763% (0.84   0.02   0.02) =   0.002%
          HG    LEU   67 - QD    PHE   59  10.95 +/- 1.74   0.119% *  0.4890% (0.53   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   59  13.01 +/- 1.31   0.040% *  0.9274% (1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    PHE   59  12.51 +/- 1.32   0.039% *  0.6013% (0.65   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD    PHE   59  15.31 +/- 1.53   0.014% *  0.3488% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  19.41 +/- 2.32   0.004% *  0.8970% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  17.72 +/- 2.00   0.007% *  0.4524% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 0.433, support = 3.22, residual support = 20.9:
        T HG13  ILE  119 - QD    PHE   59   3.01 +/- 0.77  79.064% * 75.8761% (0.41 10.00   3.38  21.96) =  94.882%  kept
        T QG1   VAL  107 - QD    PHE   59   4.96 +/- 0.86  13.612% * 23.6757% (0.84 10.00   0.31   0.45) =   5.097%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.43 +/- 2.46   7.319% *  0.1809% (0.98  1.00   0.02   0.02) =   0.021%
          QG1   VAL   24 - QD    PHE   59  17.57 +/- 1.68   0.003% *  0.1846% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  18.68 +/- 1.31   0.002% *  0.0827% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.906, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.47 +/- 1.08  72.821% * 60.0043% (0.98   0.02   0.02) =  88.144%  kept
          HG3   LYS+ 121 - QD    PHE   59  10.81 +/- 0.85  21.015% * 22.9752% (0.38   0.02   0.02) =   9.739%  kept
          HB3   LEU  104 - QD    PHE   59  13.23 +/- 0.87   6.165% * 17.0205% (0.28   0.02   0.02) =   2.117%  kept
    Distance limit 4.50 A violated in 20 structures by 3.47 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.977, support = 4.58, residual support = 28.4:
          QD2   LEU  115 - QD    PHE   59   2.32 +/- 0.81  71.703% * 82.5964% (0.98   4.82  30.29) =  93.636%  kept
          QD1   LEU   63 - QD    PHE   59   3.23 +/- 0.80  24.782% * 16.2253% (0.92   1.01   0.16) =   6.357%  kept
          QD2   LEU   63 - QD    PHE   59   4.82 +/- 0.99   3.502% *  0.1192% (0.34   0.02   0.16) =   0.007%
          QD1   LEU   73 - QD    PHE   59  12.07 +/- 1.10   0.005% *  0.3226% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD    PHE   59  12.01 +/- 1.13   0.005% *  0.2799% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  14.98 +/- 1.37   0.002% *  0.3373% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  15.12 +/- 1.47   0.001% *  0.1192% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 4.51, residual support = 30.3:
        T QD1   LEU  115 - QD    PHE   59   2.90 +/- 0.65  98.098% * 99.9042% (0.84 10.00   4.51  30.29) = 100.000%  kept
          QB    ALA   64 - QD    PHE   59   6.95 +/- 0.83   1.843% *  0.0185% (0.15  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - QD    PHE   59  11.84 +/- 1.39   0.059% *  0.0774% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.724, support = 1.5, residual support = 30.2:
        T HA    LEU  115 - QE    PHE   59   3.57 +/- 1.13  95.496% * 91.5909% (0.73 10.00   1.50  30.29) =  99.695%  kept
          HA    GLU- 114 - QE    PHE   59   6.93 +/- 0.59   3.564% *  7.4859% (1.00  1.00   0.89   0.02) =   0.304%
        T HA    ARG+  54 - QE    PHE   59  10.92 +/- 1.15   0.236% *  0.3328% (0.20 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QE    PHE   59   9.65 +/- 1.85   0.669% *  0.0295% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  18.12 +/- 1.99   0.015% *  0.1459% (0.87  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  18.83 +/- 2.94   0.008% *  0.1648% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  19.18 +/- 2.57   0.008% *  0.1155% (0.69  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  21.13 +/- 2.54   0.005% *  0.1347% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 2 structures by 0.19 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.84, residual support = 11.6:
        T HB    THR  118 - QE    PHE   59   3.74 +/- 1.69  99.770% * 99.7429% (0.95 10.00   1.84  11.65) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  14.09 +/- 2.19   0.094% *  0.0694% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  16.53 +/- 1.80   0.075% *  0.0513% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  20.26 +/- 1.63   0.025% *  0.0694% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  20.00 +/- 1.16   0.027% *  0.0470% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  21.56 +/- 2.81   0.009% *  0.0200% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 6 structures by 0.59 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.77, support = 0.415, residual support = 0.931:
          HB    VAL  107 - QE    PHE   59   5.38 +/- 1.76  49.256% * 56.6127% (0.80   0.43   0.45) =  75.432%  kept
          QE    LYS+ 112 - QE    PHE   59   6.89 +/- 2.57  30.050% * 19.0039% (1.00   0.12   0.02) =  15.448%  kept
          HB3   ASP-  62 - QE    PHE   59   6.31 +/- 0.74  19.794% * 16.8899% (0.14   0.77   6.52) =   9.043%  kept
          HB3   PHE   45 - QE    PHE   59  11.90 +/- 2.93   0.865% *  3.2480% (1.00   0.02   0.02) =   0.076%
          HB3   ASP-  86 - QE    PHE   59  18.71 +/- 2.64   0.021% *  1.4594% (0.45   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QE    PHE   59  23.54 +/- 2.65   0.005% *  1.9744% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - QE    PHE   59  20.99 +/- 2.16   0.009% *  0.8117% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.06 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 4.18, residual support = 22.0:
          HG12  ILE  119 - QE    PHE   59   2.88 +/- 0.72  99.427% * 96.1824% (0.73   4.18  21.96) =  99.996%  kept
          HB2   ASP-  44 - QE    PHE   59   8.53 +/- 2.71   0.448% *  0.6276% (0.99   0.02   0.02) =   0.003%
          HB3   PHE   72 - QE    PHE   59  10.35 +/- 1.95   0.078% *  0.6317% (1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QE    PHE   59  12.76 +/- 1.91   0.029% *  0.1579% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - QE    PHE   59  15.50 +/- 1.57   0.007% *  0.5989% (0.95   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   59  15.29 +/- 2.13   0.007% *  0.6206% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  18.30 +/- 1.41   0.003% *  0.6317% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  21.86 +/- 2.46   0.001% *  0.2160% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  24.86 +/- 1.58   0.000% *  0.3331% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 164 (1.11, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.52, residual support = 20.0:
          HG13  ILE  119 - QE    PHE   59   3.26 +/- 0.81  58.275% * 78.9511% (0.73   3.80  21.96) =  90.962%  kept
          QG1   VAL  107 - QE    PHE   59   3.99 +/- 1.31  36.460% * 11.2916% (0.53   0.75   0.45) =   8.139%  kept
          HD3   LYS+ 112 - QE    PHE   59   7.86 +/- 2.59   5.239% *  8.6808% (0.95   0.32   0.02) =   0.899%  kept
          QB    ALA   20 - QE    PHE   59  13.95 +/- 1.74   0.019% *  0.1427% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   24 - QE    PHE   59  17.75 +/- 2.64   0.004% *  0.4964% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  18.24 +/- 2.37   0.003% *  0.4374% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 165 (0.60, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.829, support = 2.65, residual support = 26.9:
        T QD2   LEU  115 - QE    PHE   59   2.76 +/- 0.72  55.759% * 84.8163% (0.87 10.00   2.92  30.29) =  88.787%  kept
        T QD1   LEU   63 - QE    PHE   59   3.18 +/- 1.26  44.193% * 13.5141% (0.53 10.00   0.53   0.16) =  11.212%  kept
        T QD1   LEU  104 - QE    PHE   59  11.05 +/- 1.51   0.016% *  0.9756% (1.00 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QE    PHE   59  12.17 +/- 1.99   0.010% *  0.5144% (0.53 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59  11.15 +/- 2.05   0.017% *  0.0171% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  15.29 +/- 2.34   0.003% *  0.0877% (0.90  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  15.12 +/- 2.50   0.003% *  0.0747% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 166 (0.42, 7.26, 128.86 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 2.93, residual support = 29.9:
          QD1   LEU  115 - QE    PHE   59   3.70 +/- 0.85  94.610% * 80.1668% (0.45   2.96  30.29) =  98.725%  kept
          QB    ALA   64 - QE    PHE   59   7.72 +/- 1.26   5.016% * 19.4970% (0.45   0.72   0.02) =   1.273%  kept
          QG1   VAL   75 - QE    PHE   59  12.15 +/- 2.44   0.374% *  0.3362% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.06, residual support = 11.6:
          QG2   THR  118 - QE    PHE   59   3.74 +/- 1.70 100.000% *100.0000% (0.80   4.06  11.65) = 100.000%  kept
    Distance limit 4.35 A violated in 5 structures by 0.52 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.12, residual support = 71.9:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  98.885% * 99.6748% (0.99  10.0   1.12  71.92) =  99.999%  kept
          QE    PHE   59 - QE    PHE   60   6.94 +/- 2.18   1.090% *  0.0500% (0.28   1.0   0.02  20.52) =   0.001%
          HN    LYS+  66 - QE    PHE   60   9.40 +/- 1.20   0.024% *  0.1376% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   60  15.31 +/- 1.13   0.001% *  0.1376% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.824, support = 1.55, residual support = 4.61:
          HB3   PHE   72 - QE    PHE   60   5.39 +/- 2.05  19.997% * 65.2605% (0.87   2.42   6.83) =  48.499%  kept
          HB2   ASP-  44 - QE    PHE   60   3.50 +/- 0.75  71.215% * 17.7894% (0.76   0.75   2.76) =  47.081%  kept
          HG12  ILE  119 - QE    PHE   60   8.33 +/- 2.35   8.231% * 14.4243% (0.98   0.47   0.02) =   4.412%  kept
          HG3   MET   92 - QE    PHE   60  12.87 +/- 2.92   0.330% *  0.3514% (0.57   0.02   0.02) =   0.004%
          QG    GLN   90 - QE    PHE   60  12.93 +/- 1.88   0.052% *  0.5730% (0.92   0.02   0.02) =   0.001%
          QG    GLU-  15 - QE    PHE   60  11.75 +/- 1.95   0.049% *  0.4016% (0.65   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   60  11.86 +/- 2.08   0.095% *  0.1382% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   60  13.77 +/- 2.07   0.023% *  0.4970% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   60  15.91 +/- 1.53   0.007% *  0.4264% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  21.19 +/- 2.01   0.001% *  0.1382% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.946, support = 1.78, residual support = 5.26:
          HB    VAL   42 - QE    PHE   60   6.77 +/- 2.37  21.367% * 57.1105% (1.00  1.00   2.00   6.23) =  82.219%  kept
          HB3   LEU   73 - QE    PHE   60   7.21 +/- 1.38   5.014% * 31.2968% (0.98  1.00   1.12   1.32) =  10.573%  kept
          HB3   LYS+  74 - QE    PHE   60   5.90 +/- 2.09  41.737% *  2.2136% (0.25  1.00   0.31   0.02) =   6.225%  kept
          HG3   LYS+  65 - QE    PHE   60   9.69 +/- 1.93   1.982% *  4.7190% (1.00  1.00   0.17   0.02) =   0.630%  kept
          HB3   PRO   93 - QE    PHE   60   7.86 +/- 2.92  28.562% *  0.1591% (0.28  1.00   0.02   0.02) =   0.306%
        T QB    ALA   84 - QE    PHE   60  11.31 +/- 1.14   0.256% *  1.4272% (0.25 10.00   0.02   0.02) =   0.025%
          HB2   LYS+ 112 - QE    PHE   60  13.34 +/- 2.69   0.160% *  0.5284% (0.92  1.00   0.02   0.02) =   0.006%
          QB    LEU   98 - QE    PHE   60  11.34 +/- 1.95   0.274% *  0.2786% (0.49  1.00   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - QE    PHE   60  12.56 +/- 2.14   0.146% *  0.4781% (0.84  1.00   0.02   0.02) =   0.005%
          HG    LEU   98 - QE    PHE   60  11.55 +/- 2.11   0.257% *  0.1002% (0.18  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QE    PHE   60  15.36 +/- 1.96   0.042% *  0.5711% (1.00  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QE    PHE   60  13.57 +/- 2.54   0.150% *  0.1274% (0.22  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QE    PHE   60  18.25 +/- 3.06   0.027% *  0.5524% (0.97  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    PHE   60  17.14 +/- 1.73   0.026% *  0.4374% (0.76  1.00   0.02   0.02) =   0.001%
    Distance limit 4.71 A violated in 5 structures by 0.56 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.198, support = 0.986, residual support = 3.84:
        T QD1   ILE   56 - QE    PHE   60   6.59 +/- 2.32  87.344% * 98.3396% (0.20 10.00   0.99   3.84) =  99.872%  kept
          QD2   LEU  123 - QE    PHE   60  12.15 +/- 2.04   8.862% *  0.9294% (0.92  1.00   0.02   0.02) =   0.096%
          HG3   LYS+ 121 - QE    PHE   60  13.72 +/- 2.61   3.794% *  0.7311% (0.73  1.00   0.02   0.02) =   0.032%
    Distance limit 4.92 A violated in 13 structures by 2.08 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.581, support = 1.65, residual support = 4.38:
          QG1   VAL   42 - QE    PHE   60   4.15 +/- 1.99  56.532% * 38.5410% (0.34   2.00   6.23) =  51.327%  kept
          QB    ALA   64 - QE    PHE   60   5.01 +/- 1.65  33.817% * 60.9525% (0.84   1.29   2.43) =  48.558%  kept
          QB    ALA   47 - QE    PHE   60   8.98 +/- 1.88   9.651% *  0.5066% (0.45   0.02   0.02) =   0.115%
    Distance limit 4.51 A violated in 3 structures by 0.35 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.845, support = 2.11, residual support = 3.49:
          HB2   ASP-  44 - QD    PHE   60   3.60 +/- 0.65  80.206% * 43.2789% (0.87   2.00   2.76) =  81.459%  kept
          HB3   PHE   72 - QD    PHE   60   5.53 +/- 1.23  15.199% * 50.8328% (0.76   2.67   6.83) =  18.131%  kept
          HG12  ILE  119 - QD    PHE   60   7.19 +/- 1.56   4.312% *  4.0347% (0.34   0.47   0.02) =   0.408%
          QG    GLU-  15 - QD    PHE   60  11.96 +/- 1.16   0.072% *  0.4720% (0.95   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   60  13.98 +/- 1.40   0.034% *  0.4167% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   60  13.37 +/- 1.27   0.040% *  0.3427% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - QD    PHE   60  12.20 +/- 1.65   0.132% *  0.0874% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   60  21.46 +/- 1.41   0.002% *  0.4475% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  20.74 +/- 1.71   0.003% *  0.0874% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 3.01, residual support = 90.1:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.996% * 99.8968% (0.87  10.0   3.01  90.06) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  13.68 +/- 0.50   0.002% *  0.0745% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  13.63 +/- 0.99   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.754, support = 2.99, residual support = 6.69:
          QD    PHE   60 - QD    PHE   72   4.11 +/- 1.49  81.002% * 89.7749% (0.76   3.04   6.83) =  97.800%  kept
          HN    LYS+  66 - QD    PHE   72   6.31 +/- 0.45  17.929% *  9.1117% (0.28   0.85   0.18) =   2.197%  kept
          HE3   TRP   27 - QD    PHE   72   9.70 +/- 0.70   0.969% *  0.1930% (0.25   0.02   0.02) =   0.003%
          HN    LYS+  81 - QD    PHE   72  18.26 +/- 0.52   0.021% *  0.7672% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - QD    PHE   72  14.26 +/- 1.28   0.079% *  0.1532% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 4 structures by 0.40 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.363, support = 1.82, residual support = 9.73:
          QE    PHE   60 - QD    PHE   72   4.34 +/- 2.07  70.573% * 45.7101% (0.18   2.37   6.83) =  69.977%  kept
          HN    LEU   63 - QD    PHE   72   5.95 +/- 0.60  28.918% * 47.8351% (0.80   0.54  16.49) =  30.007%  kept
          HZ2   TRP   87 - QD    PHE   72  13.13 +/- 0.54   0.161% *  1.6012% (0.73   0.02   0.02) =   0.006%
          HN    ILE   56 - QD    PHE   72  13.27 +/- 1.19   0.145% *  1.5147% (0.69   0.02   0.02) =   0.005%
          HD21  ASN   28 - QD    PHE   72  14.40 +/- 0.76   0.092% *  1.9776% (0.90   0.02   0.02) =   0.004%
          HN    LYS+ 111 - QD    PHE   72  15.53 +/- 1.33   0.069% *  0.6806% (0.31   0.02   0.02) =   0.001%
          HN    ALA   84 - QD    PHE   72  16.48 +/- 0.52   0.042% *  0.6806% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.65 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 = 90.1:
          HN    PHE   72 - QD    PHE   72   2.81 +/- 0.34  99.978% * 99.8214% (0.98   5.55  90.06) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  11.89 +/- 0.63   0.022% *  0.1786% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 90.1:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.189% * 52.6465% (0.76  10.0 10.00   1.00  90.06) =  55.837%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.804% * 47.3200% (0.69  10.0 10.00   3.01  90.06) =  44.163%  kept
          QE    PHE   45 - QE    PHE   72  10.30 +/- 1.22   0.006% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.668, support = 0.957, residual support = 5.52:
          QD    PHE   60 - QE    PHE   72   5.05 +/- 1.63  57.734% * 72.5193% (0.76   0.97   6.83) =  80.228%  kept
          HN    LYS+  66 - QE    PHE   72   5.17 +/- 0.42  41.827% * 24.6639% (0.28   0.91   0.18) =  19.768%  kept
          HE3   TRP   27 - QE    PHE   72  11.34 +/- 0.86   0.344% *  0.4883% (0.25   0.02   0.02) =   0.003%
          QD    PHE   55 - QE    PHE   72  14.15 +/- 1.59   0.084% *  0.3875% (0.20   0.02   0.02) =   0.001%
          HN    LYS+  81 - QE    PHE   72  19.97 +/- 0.72   0.010% *  1.9409% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 1 structures by 0.20 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 90.1:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.999% * 99.8250% (1.00  10.0   1.00  90.06) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  17.85 +/- 1.49   0.000% *  0.1133% (0.57   1.0   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  17.87 +/- 0.85   0.000% *  0.0618% (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 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.57, residual support = 90.1:
          HA    PHE   72 - QD    PHE   72   2.96 +/- 0.25  99.921% * 99.8338% (0.90   4.57  90.06) = 100.000%  kept
          HA    MET   96 - QD    PHE   72  10.10 +/- 0.87   0.079% *  0.1662% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 0.337, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72   9.86 +/- 1.04  83.058% *  9.9133% (0.22   0.02   0.02) =  70.502%  kept
          HA    THR   23 - QD    PHE   72  15.45 +/- 0.60   6.065% * 28.8048% (0.65   0.02   0.02) =  14.959%  kept
          HA    ASP-  78 - QD    PHE   72  18.39 +/- 0.50   2.065% * 41.1037% (0.92   0.02   0.02) =   7.268%  kept
          HA    LEU   80 - QD    PHE   72  16.92 +/- 0.66   3.536% * 12.3802% (0.28   0.02   0.02) =   3.748%  kept
          HB    THR   23 - QD    PHE   72  15.86 +/- 0.70   5.276% *  7.7981% (0.18   0.02   0.02) =   3.523%  kept
    Distance limit 4.61 A violated in 20 structures by 4.92 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.637, support = 3.68, residual support = 58.6:
        T HA    ALA   64 - QD    PHE   72   3.09 +/- 0.45  24.766% * 82.2895% (0.92   1.0 10.00   3.15  38.11) =  60.569%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.47 +/- 0.16  75.207% * 17.6413% (0.20  10.0 10.00   4.48  90.06) =  39.431%  kept
          QE    LYS+  66 - QD    PHE   72   9.49 +/- 0.56   0.025% *  0.0222% (0.25   1.0  1.00   0.02   0.18) =   0.000%
          HB3   ASN   35 - QD    PHE   72  14.90 +/- 0.63   0.002% *  0.0469% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 90.1:
      O T HB3   PHE   72 - QD    PHE   72   2.42 +/- 0.15  97.459% * 99.4111% (0.98  10.0 10.00   4.64  90.06) =  99.998%  kept
          HB2   ASP-  44 - QD    PHE   72   5.37 +/- 1.14   2.008% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QD    PHE   72   6.64 +/- 1.25   0.433% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD    PHE   72   9.91 +/- 1.43   0.048% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72   8.96 +/- 0.87   0.046% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  14.14 +/- 0.71   0.003% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  16.33 +/- 0.80   0.001% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  16.64 +/- 1.36   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  17.63 +/- 1.46   0.001% *  0.0381% (0.38   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 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.798, support = 1.0, residual support = 5.96:
        T HB    VAL   42 - QD    PHE   72   3.84 +/- 0.62  91.552% * 65.2817% (0.80 10.00   0.95   5.48) =  98.369%  kept
          HB3   LEU   73 - QD    PHE   72   7.13 +/- 0.24   3.015% * 29.0475% (0.73  1.00   4.67  39.44) =   1.441%  kept
          HG3   LYS+  65 - QD    PHE   72   7.50 +/- 0.92   3.028% *  3.7172% (0.80  1.00   0.54   0.02) =   0.185%
          HB3   LYS+  74 - QD    PHE   72   8.34 +/- 0.45   1.271% *  0.0970% (0.57  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD    PHE   72   9.69 +/- 0.76   0.452% *  0.1431% (0.84  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD    PHE   72  10.98 +/- 1.07   0.299% *  0.1486% (0.87  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - QD    PHE   72  16.54 +/- 1.65   0.029% *  1.0393% (0.61 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    PHE   72  13.22 +/- 1.11   0.085% *  0.1698% (0.99  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  12.84 +/- 1.52   0.111% *  0.0902% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD    PHE   72  13.05 +/- 0.84   0.078% *  0.0834% (0.49  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  16.39 +/- 2.26   0.042% *  0.1177% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  14.84 +/- 0.83   0.037% *  0.0643% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.10 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.417, support = 1.46, residual support = 33.3:
        T QD1   LEU   67 - QD    PHE   72   4.30 +/- 1.03  80.188% * 60.6965% (0.41 10.00   1.50  35.22) =  94.548%  kept
        T QD1   ILE  119 - QD    PHE   72   6.97 +/- 1.23   7.200% * 38.8382% (0.53 10.00   0.75   0.02) =   5.432%  kept
          QD2   LEU   40 - QD    PHE   72   7.05 +/- 0.81   8.203% *  0.0883% (0.45  1.00   0.02   0.02) =   0.014%
          HB    VAL   75 - QD    PHE   72  10.29 +/- 0.61   0.741% *  0.1930% (0.98  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  74 - QD    PHE   72   8.52 +/- 0.65   2.355% *  0.0438% (0.22  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QD    PHE   72  11.32 +/- 0.98   0.550% *  0.0608% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QD    PHE   72  11.19 +/- 0.90   0.492% *  0.0491% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD    PHE   72  12.32 +/- 0.90   0.271% *  0.0304% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.16 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 5.94, residual support = 39.4:
          QD2   LEU   73 - QD    PHE   72   4.66 +/- 0.24  84.003% * 99.0188% (0.95   5.94  39.44) =  99.979%  kept
          QD1   ILE   56 - QD    PHE   72   9.79 +/- 1.23   1.853% *  0.3492% (0.99   0.02   0.02) =   0.008%
          QG1   VAL   41 - QD    PHE   72   7.98 +/- 0.72   4.825% *  0.0980% (0.28   0.02   0.02) =   0.006%
          QG1   VAL   43 - QD    PHE   72   6.92 +/- 0.49   8.622% *  0.0544% (0.15   0.02   0.02) =   0.006%
          HG    LEU   31 - QD    PHE   72  11.25 +/- 0.63   0.466% *  0.2943% (0.84   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD    PHE   72  12.66 +/- 0.93   0.231% *  0.1854% (0.53   0.02   0.02) =   0.001%
    Distance limit 4.64 A violated in 0 structures by 0.11 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.97, residual support = 38.1:
        T QB    ALA   64 - QD    PHE   72   2.45 +/- 0.34  99.950% * 99.9781% (0.80 10.00   4.97  38.11) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72   9.48 +/- 1.47   0.050% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 1.84, residual support = 42.3:
        T QG2   VAL   70 - QD    PHE   72   3.07 +/- 0.72 100.000% *100.0000% (0.65 10.00   1.84  42.34) = 100.000%  kept
    Distance limit 4.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.01, residual support = 38.1:
        T HA    ALA   64 - QE    PHE   72   2.64 +/- 0.23  99.844% * 99.5248% (0.38 10.00   4.01  38.11) = 100.000%  kept
          QE    LYS+  66 - QE    PHE   72   8.02 +/- 0.65   0.153% *  0.2123% (0.80  1.00   0.02   0.18) =   0.000%
          HB3   ASN   35 - QE    PHE   72  15.51 +/- 0.60   0.003% *  0.2628% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.08, residual support = 42.3:
        T HB    VAL   70 - QE    PHE   72   2.84 +/- 0.72  99.241% * 98.7668% (0.99 10.00   4.08  42.34) =  99.995%  kept
        T QG    GLN   17 - QE    PHE   72   7.57 +/- 0.67   0.475% *  0.9617% (0.97 10.00   0.02   0.02) =   0.005%
          HB2   MET   96 - QE    PHE   72   9.93 +/- 1.34   0.139% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  13.01 +/- 1.17   0.035% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  10.66 +/- 1.49   0.080% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  13.42 +/- 0.89   0.021% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  18.76 +/- 0.72   0.002% *  0.0894% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  16.23 +/- 0.89   0.006% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.09, residual support = 35.2:
        T HB2   LEU   67 - QE    PHE   72   2.55 +/- 0.51  95.906% * 98.9499% (0.45 10.00   3.09  35.22) =  99.997%  kept
          QB    GLU-  15 - QE    PHE   72   7.28 +/- 1.73   2.601% *  0.0387% (0.18  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QE    PHE   72   7.15 +/- 1.14   0.444% *  0.1767% (0.80  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QE    PHE   72   6.90 +/- 1.29   0.699% *  0.0491% (0.22  1.00   0.02   3.37) =   0.000%
          HB    ILE   19 - QE    PHE   72   8.57 +/- 0.78   0.159% *  0.1603% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    PHE   72   8.37 +/- 0.77   0.150% *  0.0387% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QE    PHE   72  11.96 +/- 1.51   0.017% *  0.1843% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  12.75 +/- 0.92   0.011% *  0.1914% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  12.97 +/- 1.47   0.012% *  0.1428% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  19.15 +/- 0.72   0.001% *  0.0681% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.374, support = 3.07, residual support = 35.0:
          HB3   LEU   67 - QE    PHE   72   3.02 +/- 0.80  93.865% * 72.8607% (0.38   3.09  35.22) =  99.396%  kept
          QG    LYS+  66 - QE    PHE   72   6.57 +/- 0.58   2.021% * 18.7286% (0.22   1.34   0.18) =   0.550%  kept
          HG12  ILE   19 - QE    PHE   72   9.13 +/- 1.68   1.980% *  1.0509% (0.84   0.02   0.02) =   0.030%
          QB    ALA   61 - QE    PHE   72   6.87 +/- 0.71   1.486% *  0.6619% (0.53   0.02   0.02) =   0.014%
          QB    LEU   98 - QE    PHE   72   9.69 +/- 1.01   0.308% *  0.8139% (0.65   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QE    PHE   72  11.19 +/- 1.70   0.169% *  1.1614% (0.92   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QE    PHE   72  10.42 +/- 0.47   0.111% *  1.1283% (0.90   0.02   0.02) =   0.002%
          QB    ALA  110 - QE    PHE   72  13.58 +/- 1.52   0.019% *  0.9615% (0.76   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    PHE   72  14.04 +/- 1.32   0.026% *  0.4722% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    PHE   72  16.60 +/- 1.00   0.007% *  1.2470% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  16.14 +/- 1.00   0.008% *  0.9136% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 4.13, residual support = 35.2:
        T QD1   LEU   67 - QE    PHE   72   3.02 +/- 0.47  89.475% * 98.1791% (0.41 10.00   4.13  35.22) =  99.877%  kept
        T QD1   ILE  119 - QE    PHE   72   5.96 +/- 1.41   8.422% *  1.2564% (0.53 10.00   0.02   0.02) =   0.120%
          QD2   LEU   40 - QE    PHE   72   6.41 +/- 0.75   1.772% *  0.1071% (0.45  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QE    PHE   72  10.85 +/- 1.41   0.100% *  0.0737% (0.31  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QE    PHE   72  12.03 +/- 0.86   0.030% *  0.2341% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    PHE   72  10.20 +/- 1.26   0.103% *  0.0595% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72  10.43 +/- 0.73   0.069% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    PHE   72  12.23 +/- 1.29   0.030% *  0.0368% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 196 (0.89, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.534, support = 4.32, residual support = 25.5:
          HB3   LEU   63 - QE    PHE   72   3.59 +/- 1.24  27.388% * 80.9844% (0.73   4.42  16.49) =  65.132%  kept
          QG1   VAL   70 - QE    PHE   72   2.69 +/- 1.00  65.058% * 18.2337% (0.18   4.13  42.34) =  34.835%  kept
          QD1   LEU   40 - QE    PHE   72   4.42 +/- 0.71   6.510% *  0.1558% (0.31   0.02   0.02) =   0.030%
          QG1   VAL   18 - QE    PHE   72   6.55 +/- 0.98   1.037% *  0.1259% (0.25   0.02   3.37) =   0.004%
          QG1   VAL  108 - QE    PHE   72  13.83 +/- 1.08   0.007% *  0.5003% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 197 (0.58, 6.99, 130.46 ppm):
    7 chemical-shift based assignments, quality = 0.814, support = 3.74, residual support = 16.7:
          QD2   LEU   63 - QE    PHE   72   3.21 +/- 1.21  64.840% * 27.5568% (0.69   3.65  16.49) =  56.557%  kept
          QD1   LEU   63 - QE    PHE   72   3.75 +/- 1.00  32.154% * 41.9279% (0.98   3.89  16.49) =  42.673%  kept
          QD1   LEU   73 - QE    PHE   72   8.02 +/- 0.31   0.801% * 30.0673% (0.98   2.79  39.44) =   0.762%  kept
          QD2   LEU  115 - QE    PHE   72   8.29 +/- 1.25   1.217% *  0.1598% (0.73   0.02   0.02) =   0.006%
          QD1   LEU  104 - QE    PHE   72   8.92 +/- 1.28   0.432% *  0.0986% (0.45   0.02   0.02) =   0.001%
          QG2   VAL   41 - QE    PHE   72   8.05 +/- 0.42   0.523% *  0.0385% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   72  13.37 +/- 0.83   0.034% *  0.1511% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.679, support = 3.94, residual support = 36.7:
          QB    ALA   64 - QE    PHE   72   3.24 +/- 0.41  52.345% * 94.9105% (0.69   4.10  38.11) =  95.821%  kept
          QG1   VAL   42 - QE    PHE   72   3.41 +/- 0.94  47.637% *  4.5478% (0.49   0.28   5.48) =   4.179%  kept
          QB    ALA   47 - QE    PHE   72  14.20 +/- 1.23   0.007% *  0.4084% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  15.21 +/- 2.08   0.011% *  0.1333% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 5.28, residual support = 42.3:
        T QG2   VAL   70 - QE    PHE   72   2.46 +/- 0.65 100.000% *100.0000% (0.90 10.00   5.28  42.34) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 2.64, residual support = 38.1:
        T HA    ALA   64 - HZ    PHE   72   3.08 +/- 0.57  99.399% * 99.7900% (0.65 10.00   2.64  38.11) = 100.000%  kept
          QE    LYS+  66 - HZ    PHE   72   8.26 +/- 0.98   0.595% *  0.0812% (0.53  1.00   0.02   0.18) =   0.000%
          HB3   ASN   35 - HZ    PHE   72  18.02 +/- 0.71   0.005% *  0.1288% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.3, residual support = 42.3:
        T HB    VAL   70 - HZ    PHE   72   3.89 +/- 1.06  98.234% * 98.2503% (0.92 10.00   3.30  42.34) =  99.986%  kept
        T QG    GLN   17 - HZ    PHE   72   9.27 +/- 0.65   0.993% *  1.0272% (0.97 10.00   0.02   0.02) =   0.011%
        T HB2   MET   96 - HZ    PHE   72  11.76 +/- 1.70   0.642% *  0.5600% (0.53 10.00   0.02   0.02) =   0.004%
          HB2   LYS+  38 - HZ    PHE   72  15.50 +/- 1.22   0.043% *  0.0399% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  14.80 +/- 1.52   0.081% *  0.0164% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  22.06 +/- 0.82   0.006% *  0.1062% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.19 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 2.95, residual support = 35.1:
        T HB2   LEU   67 - HZ    PHE   72   2.81 +/- 0.77  94.847% * 91.8542% (0.45 10.00   2.96  35.22) =  99.795%  kept
          HG2   PRO   68 - HZ    PHE   72   8.04 +/- 1.72   2.424% *  7.3350% (0.80  1.00   0.89   0.02) =   0.204%
          QB    GLU-  15 - HZ    PHE   72   9.32 +/- 1.93   2.246% *  0.0359% (0.18  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HZ    PHE   72  10.66 +/- 0.90   0.100% *  0.1488% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HZ    PHE   72   8.69 +/- 1.44   0.260% *  0.0456% (0.22  1.00   0.02   3.37) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  13.89 +/- 1.81   0.019% *  0.1711% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  10.29 +/- 0.84   0.080% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  14.64 +/- 1.99   0.015% *  0.1325% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  14.94 +/- 1.09   0.009% *  0.1777% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  22.49 +/- 0.81   0.001% *  0.0632% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.373, support = 2.93, residual support = 34.8:
          HB3   LEU   67 - HZ    PHE   72   3.65 +/- 0.88  90.935% * 76.9319% (0.38   2.96  35.22) =  98.749%  kept
          QG    LYS+  66 - HZ    PHE   72   6.71 +/- 0.91   6.229% * 13.8001% (0.22   0.89   0.18) =   1.213%  kept
          QB    ALA   61 - HZ    PHE   72   8.40 +/- 0.71   1.250% *  0.7294% (0.53   0.02   0.02) =   0.013%
          HG12  ILE   19 - HZ    PHE   72  11.36 +/- 1.85   0.687% *  1.1580% (0.84   0.02   0.02) =   0.011%
          HD3   LYS+ 121 - HZ    PHE   72  11.92 +/- 2.18   0.390% *  1.2798% (0.92   0.02   0.02) =   0.007%
          QB    LEU   98 - HZ    PHE   72  11.08 +/- 1.34   0.355% *  0.8968% (0.65   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HZ    PHE   72  12.84 +/- 0.49   0.087% *  1.2433% (0.90   0.02   0.02) =   0.002%
          QB    ALA  110 - HZ    PHE   72  15.75 +/- 1.71   0.026% *  1.0595% (0.76   0.02   0.02) =   0.000%
          QB    ALA   12 - HZ    PHE   72  16.57 +/- 1.54   0.024% *  0.5203% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - HZ    PHE   72  19.64 +/- 1.16   0.008% *  1.3741% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  19.13 +/- 1.14   0.009% *  1.0067% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.10 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.416, support = 3.82, residual support = 33.7:
        T QD1   LEU   67 - HZ    PHE   72   3.09 +/- 0.91  90.550% * 66.3520% (0.41 10.00   3.96  35.22) =  95.711%  kept
        T QD1   ILE  119 - HZ    PHE   72   7.06 +/- 1.60   8.452% * 31.8428% (0.53 10.00   0.75   0.02) =   4.287%  kept
          QD2   LEU   40 - HZ    PHE   72   7.20 +/- 0.75   0.846% *  0.0724% (0.45  1.00   0.02   0.02) =   0.001%
        T HB    VAL   75 - HZ    PHE   72  14.56 +/- 1.03   0.014% *  1.5820% (0.98 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HZ    PHE   72  11.21 +/- 1.70   0.062% *  0.0402% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  12.16 +/- 1.85   0.033% *  0.0498% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  12.92 +/- 0.80   0.027% *  0.0359% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  14.15 +/- 1.66   0.016% *  0.0249% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.08 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.661, support = 2.97, residual support = 29.3:
        T HB3   LEU   63 - HZ    PHE   72   4.36 +/- 1.62  27.244% * 69.6404% (0.95 10.00   3.03  16.49) =  50.106%  kept
        T QG1   VAL   70 - HZ    PHE   72   3.16 +/- 0.88  68.110% * 27.6300% (0.38 10.00   2.92  42.34) =  49.698%  kept
          QD1   LEU   71 - HZ    PHE   72   7.74 +/- 1.06   2.830% *  2.6177% (0.20  1.00   3.59  19.72) =   0.196%
          QD1   LEU  123 - HZ    PHE   72   7.71 +/- 2.40   1.445% *  0.0146% (0.20  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HZ    PHE   72   8.23 +/- 1.06   0.366% *  0.0358% (0.49  1.00   0.02   3.37) =   0.000%
          QG1   VAL  108 - HZ    PHE   72  15.97 +/- 1.39   0.006% *  0.0615% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.771, support = 2.49, residual support = 16.6:
          QD2   LEU   63 - HZ    PHE   72   3.61 +/- 1.33  80.438% * 23.3421% (0.69   2.31  16.49) =  71.143%  kept
          QD1   LEU   63 - HZ    PHE   72   4.99 +/- 1.01  17.461% * 42.5628% (0.98   2.95  16.49) =  28.160%  kept
          QD1   LEU   73 - HZ    PHE   72   9.76 +/- 0.36   0.543% * 33.4956% (0.98   2.32  39.44) =   0.689%  kept
          QD2   LEU  115 - HZ    PHE   72   9.76 +/- 1.36   0.637% *  0.2138% (0.73   0.02   0.02) =   0.005%
          QD1   LEU  104 - HZ    PHE   72   9.76 +/- 1.50   0.438% *  0.1320% (0.45   0.02   0.02) =   0.002%
          QG2   VAL   41 - HZ    PHE   72   9.51 +/- 0.53   0.457% *  0.0516% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - HZ    PHE   72  15.85 +/- 0.99   0.026% *  0.2022% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.08 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 42.3:
        T QG2   VAL   70 - HZ    PHE   72   3.29 +/- 0.70 100.000% *100.0000% (0.90 10.00   4.44  42.34) = 100.000%  kept
    Distance limit 4.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.88, residual support = 70.3:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.88  70.26) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.3:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.999% * 99.9913% (0.98  10.0   1.00  70.26) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  18.89 +/- 1.47   0.001% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.3:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.931% * 99.8601% (0.98  10.0 10.00   1.00  70.26) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87   9.41 +/- 1.30   0.069% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  22.02 +/- 1.41   0.000% *  0.0382% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 70.3:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.793% * 99.5607% (0.99  10.0   1.00  70.26) = 100.000%  kept
          HD21  ASN   28 - HH2   TRP   87   7.52 +/- 0.92   0.201% *  0.1969% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HH2   TRP   87  13.53 +/- 1.53   0.005% *  0.0978% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  19.58 +/- 1.07   0.000% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  21.73 +/- 1.42   0.000% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 70.3:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  99.127% * 99.7330% (0.90  10.0   1.00  70.26) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.75 +/- 0.64   0.871% *  0.0027% (0.01   1.0   0.02  20.70) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  20.19 +/- 1.92   0.000% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  20.42 +/- 1.12   0.000% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  17.13 +/- 0.70   0.001% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  21.73 +/- 1.42   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 = 6.22:
          HZ2   TRP   27 - HZ2   TRP   87   2.39 +/- 0.63  99.993% * 99.3931% (0.87   0.75   6.22) = 100.000%  kept
          HZ    PHE   72 - HZ2   TRP   87  16.63 +/- 0.82   0.003% *  0.4715% (0.15   0.02   0.02) =   0.000%
          HZ    PHE   72 - HN    ILE   56  16.13 +/- 1.55   0.003% *  0.0205% (0.01   0.02   0.02) =   0.000%
          HZ2   TRP   27 - HN    ILE   56  20.47 +/- 1.22   0.001% *  0.1150% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.594, support = 0.02, residual support = 0.02:
          HD21  ASN   35 - HZ3   TRP   87  13.02 +/- 1.53  40.108% * 11.6802% (0.53   0.02   0.02) =  38.092%  kept
          QE    PHE   95 - HZ3   TRP   87  13.43 +/- 0.67  31.251% * 10.8062% (0.49   0.02   0.02) =  27.459%  kept
          HN    THR   23 - HZ3   TRP   87  15.18 +/- 0.64  14.606% * 11.6802% (0.53   0.02   0.02) =  13.872%  kept
          HD2   HIS   22 - HZ3   TRP   87  17.04 +/- 0.76   7.341% * 20.4937% (0.92   0.02   0.02) =  12.233%  kept
          HD1   TRP   49 - HZ3   TRP   87  21.00 +/- 1.37   2.185% * 22.0041% (0.99   0.02   0.02) =   3.909%  kept
          HN    LEU   67 - HZ3   TRP   87  20.70 +/- 0.99   2.372% * 19.9101% (0.90   0.02   0.02) =   3.840%  kept
          QD    PHE   55 - HZ3   TRP   87  20.87 +/- 0.65   2.137% *  3.4254% (0.15   0.02   0.02) =   0.595%  kept
    Distance limit 3.61 A violated in 20 structures by 7.30 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   4.28 +/- 0.19  99.748% * 97.7183% (0.38   3.73  22.48) =  99.998%  kept
          HN    GLU-  29 - HD1   TRP   87  13.42 +/- 0.62   0.113% *  1.1171% (0.80   0.02   0.02) =   0.001%
          HN    GLN   30 - HD1   TRP   87  13.21 +/- 0.52   0.124% *  0.4306% (0.31   0.02   0.02) =   0.001%
          HN    VAL   18 - HD1   TRP   87  18.93 +/- 0.61   0.014% *  0.7340% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 2.05:
          QD1   LEU   31 - HH2   TRP   87   3.93 +/- 0.46 100.000% *100.0000% (0.80   0.75   2.05) = 100.000%  kept
    Distance limit 4.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.541, support = 1.88, residual support = 2.89:
          QD2   LEU   98 - HH2   TRP   87   4.51 +/- 1.28  75.852% * 69.3554% (0.53  1.00   2.00   3.13) =  92.228%  kept
          QG2   VAL   41 - HH2   TRP   87   5.78 +/- 0.69  17.619% * 24.9649% (0.73  1.00   0.52   0.02) =   7.711%  kept
          QD1   LEU   73 - HH2   TRP   87   8.13 +/- 0.86   3.755% *  0.5910% (0.45  1.00   0.02   0.02) =   0.039%
          QD1   LEU   80 - HH2   TRP   87  10.01 +/- 1.11   0.871% *  0.6936% (0.53  1.00   0.02   0.02) =   0.011%
          QD2   LEU   80 - HH2   TRP   87   9.29 +/- 0.99   1.632% *  0.2034% (0.15  1.00   0.02   0.02) =   0.006%
          QD2   LEU   63 - HH2   TRP   87  14.53 +/- 2.03   0.101% *  1.2921% (0.98  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HH2   TRP   87  16.01 +/- 1.52   0.040% *  2.3086% (0.18 10.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HH2   TRP   87  13.78 +/- 1.94   0.130% *  0.5910% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.57 A violated in 2 structures by 0.15 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 0.749, residual support = 3.13:
          QD1   LEU   98 - HH2   TRP   87   4.56 +/- 2.04  94.501% * 94.3481% (0.76   0.75   3.13) =  99.880%  kept
          QD2   LEU  104 - HH2   TRP   87  10.56 +/- 1.38   3.393% *  2.3906% (0.73   0.02   0.02) =   0.091%
          QD1   ILE   19 - HH2   TRP   87  14.68 +/- 1.18   0.904% *  1.8639% (0.57   0.02   0.02) =   0.019%
          QG2   THR   46 - HH2   TRP   87  13.70 +/- 0.58   0.817% *  0.8209% (0.25   0.02   0.02) =   0.008%
          QG2   VAL   18 - HH2   TRP   87  14.80 +/- 0.95   0.385% *  0.5766% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.16 A violated in 5 structures by 0.87 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.19, residual support = 70.3:
      O T HB2   TRP   87 - HE3   TRP   87   2.51 +/- 0.06  99.999% * 99.0099% (1.00  10.0 10.00   3.19  70.26) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  17.33 +/- 1.26   0.001% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.942, support = 0.138, residual support = 0.02:
        T QD1   ILE  103 - HE3   TRP   87   4.77 +/- 2.59  86.467% * 91.0706% (0.95 10.00   0.14   0.02) =  99.358%  kept
          QG2   ILE  103 - HE3   TRP   87   6.85 +/- 1.64   9.314% *  5.2653% (0.28  1.00   0.27   0.02) =   0.619%  kept
          QD2   LEU   40 - HE3   TRP   87  11.14 +/- 0.91   2.650% *  0.2453% (0.18  1.00   0.02   0.02) =   0.008%
          QD2   LEU   71 - HE3   TRP   87  15.29 +/- 0.76   0.438% *  1.2151% (0.87  1.00   0.02   0.02) =   0.007%
          QG2   ILE  119 - HE3   TRP   87  16.40 +/- 1.45   0.214% *  1.4008% (1.00  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HE3   TRP   87  16.63 +/- 0.77   0.367% *  0.5257% (0.38  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HE3   TRP   87  15.74 +/- 1.76   0.550% *  0.2772% (0.20  1.00   0.02   0.02) =   0.002%
    Distance limit 4.65 A violated in 4 structures by 0.66 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.14, residual support = 70.3:
          HA    TRP   87 - HD1   TRP   87   4.52 +/- 0.07  99.924% * 99.0857% (0.80   4.14  70.26) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  19.26 +/- 1.01   0.018% *  0.5765% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  16.22 +/- 0.85   0.051% *  0.0922% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  22.21 +/- 0.99   0.007% *  0.2456% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 15.5:
        T HA    VAL   83 - HD1   TRP   87   4.25 +/- 0.58  98.565% * 95.9068% (0.41 10.00   4.31  15.47) =  99.987%  kept
        T HA    VAL   24 - HD1   TRP   87   8.87 +/- 0.69   1.375% *  0.8755% (0.38 10.00   0.02   0.02) =   0.013%
        T HA    GLU- 100 - HD1   TRP   87  17.68 +/- 1.08   0.030% *  1.0459% (0.45 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD1   TRP   87  20.17 +/- 0.65   0.012% *  2.0922% (0.90 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD1   TRP   87  19.91 +/- 1.61   0.018% *  0.0796% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 2 structures by 0.24 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.95, residual support = 70.3:
      O   HB2   TRP   87 - HD1   TRP   87   3.84 +/- 0.03  99.974% * 99.0099% (1.00  10.0  1.00   3.95  70.26) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  15.49 +/- 1.06   0.026% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.51 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 +/- 0.29  99.926% * 98.2033% (1.00 10.00   3.60  22.48) = 100.000%  kept
        T HB2   ASN   28 - HD1   TRP   87  12.54 +/- 0.72   0.033% *  0.8221% (0.84 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  17.98 +/- 1.15   0.004% *  0.7881% (0.80 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  12.93 +/- 0.45   0.030% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  17.31 +/- 0.68   0.005% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  21.13 +/- 1.08   0.002% *  0.0931% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 70.3:
      O   HB3   TRP   87 - HD1   TRP   87   2.73 +/- 0.03  99.711% * 99.2543% (0.25  10.0   3.82  70.26) =  99.999%  kept
          HG3   MET   96 - HD1   TRP   87   7.44 +/- 0.68   0.288% *  0.2254% (0.57   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HD1   TRP   87  22.02 +/- 1.02   0.000% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  20.63 +/- 0.97   0.001% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  22.48 +/- 1.19   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.875, support = 3.17, residual support = 15.6:
        T QG2   VAL   83 - HD1   TRP   87   2.74 +/- 0.86  57.662% * 87.9173% (0.90 10.00   3.12  15.47) =  91.230%  kept
          QD1   ILE   89 - HD1   TRP   87   2.91 +/- 0.37  40.687% * 11.9767% (0.65  1.00   3.78  17.49) =   8.769%  kept
          QG2   VAL   43 - HD1   TRP   87   5.05 +/- 0.54   1.605% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HD1   TRP   87   8.88 +/- 0.47   0.045% *  0.0927% (0.95  1.00   0.02   2.05) =   0.000%
    Distance limit 3.47 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 = 0.918, support = 0.745, residual support = 17.2:
        T QG2   ILE   89 - HD1   TRP   87   4.09 +/- 0.15  55.180% * 84.5645% (0.95 10.00   0.63  17.49) =  87.154%  kept
          QG1   VAL   83 - HD1   TRP   87   4.39 +/- 0.81  44.787% * 15.3571% (0.73  1.00   1.50  15.47) =  12.846%  kept
          QD1   LEU  104 - HD1   TRP   87  14.43 +/- 1.07   0.033% *  0.0784% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 0.519, support = 0.742, residual support = 3.04:
          QD2   LEU   98 - HZ2   TRP   87   5.49 +/- 1.33  43.838% * 82.5004% (0.53   0.75   3.13) =  96.855%  kept
          QG2   VAL   41 - HZ2   TRP   87   6.27 +/- 0.69  15.181% *  3.0364% (0.73   0.02   0.02) =   1.234%  kept
          QD2   LEU  115 - HN    ILE   56   6.70 +/- 0.98  16.106% *  2.3461% (0.01   1.48   0.40) =   1.012%  kept
          QD1   LEU   73 - HZ2   TRP   87   7.12 +/- 0.67   8.490% *  1.8747% (0.45   0.02   0.02) =   0.426%
          QD1   LEU   80 - HZ2   TRP   87   7.94 +/- 1.11   4.908% *  2.2000% (0.53   0.02   0.02) =   0.289%
          QD2   LEU   80 - HZ2   TRP   87   7.22 +/- 0.99   8.915% *  0.6452% (0.15   0.02   0.02) =   0.154%
          QD2   LEU   63 - HZ2   TRP   87  14.55 +/- 1.95   0.118% *  4.0988% (0.98   0.02   0.02) =   0.013%
          QD1   LEU   63 - HZ2   TRP   87  13.59 +/- 1.98   0.174% *  1.8747% (0.45   0.02   0.02) =   0.009%
          QD1   LEU   63 - HN    ILE   56   9.52 +/- 0.78   1.435% *  0.0814% (0.02   0.02   0.02) =   0.003%
          QD2   LEU   63 - HN    ILE   56  11.44 +/- 1.14   0.514% *  0.1779% (0.04   0.02   0.02) =   0.002%
          QD2   LEU  115 - HZ2   TRP   87  15.82 +/- 1.57   0.060% *  0.7323% (0.18   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    ILE   56  15.88 +/- 1.49   0.061% *  0.0955% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE   56  16.67 +/- 1.99   0.056% *  0.0955% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE   56  15.91 +/- 1.22   0.062% *  0.0814% (0.02   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE   56  17.75 +/- 0.93   0.029% *  0.1318% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE   56  16.49 +/- 1.49   0.053% *  0.0280% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 1 structures by 0.11 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.174, support = 0.701, residual support = 1.91:
          QD1   LEU   31 - HZ2   TRP   87   4.09 +/- 0.39  51.648% * 92.4210% (0.15   0.75   2.05) =  93.242%  kept
          QG2   VAL   43 - HZ2   TRP   87   4.19 +/- 0.73  48.305% *  7.1612% (0.45   0.02   0.02) =   6.757%  kept
          QG2   VAL   43 - HN    ILE   56  13.56 +/- 0.98   0.042% *  0.3108% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   31 - HN    ILE   56  19.11 +/- 1.23   0.005% *  0.1070% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.733, support = 1.71, residual support = 56.2:
          HA    TRP   49 - HE3   TRP   49   4.45 +/- 0.42  67.189% * 50.2880% (0.69   1.91  74.62) =  74.266%  kept
          HA    CYS   50 - HE3   TRP   49   5.42 +/- 1.43  29.765% * 38.3726% (0.87   1.16   2.84) =  25.105%  kept
          HA    ALA   47 - HE3   TRP   49   7.72 +/- 1.50   2.951% *  9.6809% (0.76   0.33  16.09) =   0.628%  kept
          HA1   GLY  109 - HE3   TRP   49  15.34 +/- 1.38   0.051% *  0.6393% (0.84   0.02   0.02) =   0.001%
          HA    VAL  108 - HE3   TRP   49  15.68 +/- 1.35   0.038% *  0.4951% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HE3   TRP   49  21.40 +/- 1.68   0.005% *  0.3726% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  30.52 +/- 1.44   0.001% *  0.1515% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 0.02, residual support = 74.4:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.469% * 23.6887% (1.00   0.02  74.62) =  99.754%  kept
          QE    PHE   95 - HE3   TRP   49  13.54 +/- 1.87   0.430% *  8.9104% (0.38   0.02   0.02) =   0.162%
          HD2   HIS   22 - HE3   TRP   49  17.78 +/- 1.73   0.068% * 23.2713% (0.98   0.02   0.02) =   0.067%
          HN    THR   23 - HE3   TRP   49  20.70 +/- 1.65   0.025% *  9.7604% (0.41   0.02   0.02) =   0.010%
          HN    LEU   67 - HE3   TRP   49  26.14 +/- 1.84   0.006% * 19.0107% (0.80   0.02   0.02) =   0.005%
          HD21  ASN   35 - HE3   TRP   49  34.15 +/- 1.96   0.001% * 15.3585% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 20 structures by 1.06 A, eliminated.
    Peak unassigned.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.798, support = 0.0199, residual support = 66.1:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  80.849% * 16.7579% (0.84   0.02  74.62) =  88.585%  kept
          QD    PHE   55 - HH2   TRP   49   9.35 +/- 1.27  13.919% *  6.8436% (0.34   0.02   0.02) =   6.228%  kept
          QE    PHE   95 - HH2   TRP   49  11.95 +/- 2.27   4.864% * 15.3326% (0.76   0.02   0.02) =   4.876%  kept
          HD2   HIS   22 - HH2   TRP   49  18.97 +/- 2.11   0.179% * 13.7814% (0.69   0.02   0.02) =   0.161%
          HN    THR   23 - HH2   TRP   49  21.54 +/- 2.00   0.078% * 16.0651% (0.80   0.02   0.02) =   0.082%
          HN    LEU   67 - HH2   TRP   49  25.35 +/- 2.24   0.029% * 20.0629% (1.00   0.02   0.02) =   0.038%
          HE3   TRP   27 - HH2   TRP   49  22.06 +/- 2.48   0.076% *  5.5782% (0.28   0.02   0.02) =   0.028%
          HD21  ASN   35 - HH2   TRP   49  33.08 +/- 2.58   0.006% *  5.5782% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.94 A violated in 20 structures by 2.48 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.753, support = 3.5, residual support = 43.8:
          HA    TRP   49 - HD1   TRP   49   4.21 +/- 0.30  39.676% * 44.3861% (0.69   4.35  74.62) =  54.141%  kept
          HA    CYS   50 - HD1   TRP   49   5.07 +/- 1.42  23.845% * 40.5824% (0.87   3.15   2.84) =  29.750%  kept
          HA    ALA   47 - HD1   TRP   49   4.52 +/- 1.35  36.418% * 14.3882% (0.76   1.27  16.09) =  16.109%  kept
          HA1   GLY  109 - HD1   TRP   49  14.65 +/- 1.19   0.024% *  0.2480% (0.84   0.02   0.02) =   0.000%
          HA    VAL  108 - HD1   TRP   49  14.14 +/- 1.31   0.030% *  0.1921% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  18.33 +/- 1.56   0.006% *  0.1445% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  27.95 +/- 1.71   0.000% *  0.0588% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   3.24 +/- 0.46 100.000% *100.0000% (0.61   3.86  73.50) = 100.000%  kept
    Distance limit 4.41 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   2.49 +/- 0.43 100.000% *100.0000% (0.98 10.00   3.44  73.50) = 100.000%  kept
    Distance limit 4.45 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 = 4.6:
          HA    ASP-  44 - QD    PHE   95   3.06 +/- 0.82  99.497% * 93.1915% (0.90   2.00   4.60) =  99.997%  kept
          HA    ILE  103 - QD    PHE   95  10.80 +/- 0.48   0.173% *  0.7546% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - QD    PHE   95  11.57 +/- 0.74   0.091% *  0.8679% (0.84   0.02   0.02) =   0.001%
          HA    LEU  104 - QD    PHE   95  11.45 +/- 0.66   0.117% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   95  14.13 +/- 0.54   0.023% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  14.71 +/- 0.49   0.020% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA    THR   39 - QD    PHE   95  15.34 +/- 0.96   0.033% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  13.88 +/- 0.77   0.028% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  19.30 +/- 1.09   0.007% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  16.09 +/- 0.77   0.009% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  24.67 +/- 1.57   0.001% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  26.73 +/- 2.04   0.001% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.03 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 +/- 0.11 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.50) = 100.000%  kept
    Distance limit 3.98 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   2.61 +/- 0.18  99.924% * 99.8712% (0.99  10.0 10.00   3.31  73.50) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95   8.96 +/- 0.67   0.076% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  19.86 +/- 0.63   0.001% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.85, residual support = 45.8:
        T HB    VAL  107 - QD    PHE   95   2.31 +/- 0.64  99.542% * 99.7392% (0.92 10.00   3.85  45.83) = 100.000%  kept
          HB3   PHE   45 - QD    PHE   95   6.89 +/- 0.89   0.360% *  0.0568% (0.53  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - QD    PHE   95   9.02 +/- 1.60   0.090% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   95  14.23 +/- 1.03   0.005% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  17.78 +/- 0.91   0.002% *  0.0902% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.77, support = 0.704, residual support = 3.85:
          HB3   ASP-  44 - QD    PHE   95   3.72 +/- 1.27  68.127% * 26.0788% (0.76   0.75   4.60) =  80.523%  kept
          HB3   PRO   93 - QD    PHE   95   4.90 +/- 0.54  19.016% * 10.7911% (1.00   0.24   0.02) =   9.300%  kept
          HB2   LEU   63 - QD    PHE   95   6.54 +/- 1.15   7.870% * 22.0752% (0.65   0.75   1.67) =   7.874%  kept
          HG3   LYS+ 106 - QD    PHE   95   8.01 +/- 0.34   1.146% * 25.1529% (0.61   0.91   0.02) =   1.306%  kept
          HB    VAL   42 - QD    PHE   95   7.97 +/- 0.83   1.994% * 10.5324% (0.31   0.75   1.48) =   0.952%  kept
          HG    LEU   98 - QD    PHE   95   9.75 +/- 1.00   0.431% *  0.8782% (0.97   0.02   0.02) =   0.017%
          QB    ALA   84 - QD    PHE   95  10.25 +/- 0.68   0.192% *  0.9080% (1.00   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - QD    PHE   95   9.64 +/- 1.48   0.484% *  0.2809% (0.31   0.02   0.02) =   0.006%
          HB2   LYS+ 112 - QD    PHE   95  10.02 +/- 0.75   0.273% *  0.4429% (0.49   0.02   0.02) =   0.005%
          HB3   LEU   73 - QD    PHE   95   9.55 +/- 1.00   0.250% *  0.3415% (0.38   0.02   0.02) =   0.004%
          QB    ALA  124 - QD    PHE   95  14.15 +/- 0.96   0.047% *  0.8161% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   80 - QD    PHE   95  13.32 +/- 1.28   0.055% *  0.4788% (0.53   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QD    PHE   95  12.66 +/- 0.93   0.061% *  0.2809% (0.31   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   95  15.20 +/- 0.68   0.024% *  0.3415% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   95  15.82 +/- 1.34   0.020% *  0.3741% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  17.29 +/- 0.80   0.010% *  0.2269% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.86, residual support = 45.8:
        T QG2   VAL  107 - QD    PHE   95   2.55 +/- 0.63  99.835% * 99.7831% (0.99 10.00   3.86  45.83) = 100.000%  kept
          HG13  ILE  103 - QD    PHE   95   9.64 +/- 0.61   0.085% *  0.0806% (0.80  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD    PHE   95  10.95 +/- 1.22   0.054% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  11.71 +/- 0.64   0.026% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.59, 7.02, 132.19 ppm):
    7 chemical-shift based assignments, quality = 0.983, support = 1.28, residual support = 8.0:
        T QD2   LEU  115 - QD    PHE   95   4.26 +/- 1.18  51.034% * 90.0120% (0.99 10.00   1.28   8.47) =  93.117%  kept
          QD1   LEU   63 - QD    PHE   95   4.50 +/- 1.46  41.297% *  7.9558% (0.90  1.00   1.25   1.67) =   6.660%  kept
          QD2   LEU   63 - QD    PHE   95   6.02 +/- 1.66   6.842% *  1.5943% (0.31  1.00   0.73   1.67) =   0.221%
          QD1   LEU   73 - QD    PHE   95   8.99 +/- 0.72   0.367% *  0.1272% (0.90  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QD    PHE   95  10.01 +/- 1.23   0.253% *  0.1185% (0.84  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD    PHE   95  11.30 +/- 0.91   0.099% *  0.1390% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   95  10.87 +/- 0.67   0.108% *  0.0532% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.645, support = 0.748, residual support = 1.48:
        T QG1   VAL   42 - QD    PHE   95   4.86 +/- 0.72  86.950% * 95.2590% (0.65 10.00   0.75   1.48) =  99.731%  kept
          QB    ALA   64 - QD    PHE   95   7.64 +/- 1.00   7.507% *  1.6189% (0.53  1.00   0.16   0.02) =   0.146%
        T QB    ALA   47 - QD    PHE   95   8.87 +/- 0.59   3.292% *  3.0009% (0.76 10.00   0.02   0.02) =   0.119%
          HG2   LYS+ 112 - QD    PHE   95   9.81 +/- 1.36   2.251% *  0.1212% (0.31  1.00   0.02   0.02) =   0.003%
    Distance limit 4.26 A violated in 9 structures by 0.68 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.72, support = 3.34, residual support = 13.1:
          HA    ILE  119 - HD2   HIS  122   3.13 +/- 1.06  94.463% * 59.7751% (0.73   3.36  13.61) =  96.330%  kept
          HA    THR  118 - HD2   HIS  122   5.87 +/- 0.68   5.499% * 39.1223% (0.57   2.82   0.35) =   3.670%  kept
          HD3   PRO   58 - HD2   HIS  122  13.94 +/- 1.60   0.021% *  0.1514% (0.31   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  18.49 +/- 1.41   0.006% *  0.2777% (0.57   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  17.66 +/- 1.27   0.007% *  0.1364% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  20.41 +/- 1.54   0.004% *  0.2199% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  26.14 +/- 1.43   0.001% *  0.3173% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 250 (3.47, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 3.47, residual support = 67.1:
      O T HB2   HIS  122 - HD2   HIS  122   3.55 +/- 0.42  99.922% * 99.7225% (0.49  10.0 10.00   3.47  67.14) = 100.000%  kept
          HA    LYS+ 112 - HD2   HIS  122  13.22 +/- 1.41   0.064% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HD2   HIS  122  17.28 +/- 1.72   0.012% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  23.44 +/- 1.68   0.002% *  0.0699% (0.34   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 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.956, support = 3.83, residual support = 66.6:
      O T HB3   HIS  122 - HD2   HIS  122   3.19 +/- 0.54  82.641% * 85.6207% (0.97  10.0 10.00   3.80  67.14) =  96.609%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.89 +/- 1.80  17.356% * 14.3093% (0.69   1.0  1.00   4.70  50.05) =   3.391%  kept
          HG2   GLN   30 - HD2   HIS  122  18.77 +/- 1.71   0.003% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  25.86 +/- 1.42   0.000% *  0.0502% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.506, support = 0.0966, residual support = 0.0198:
          QB    LYS+ 106 - HD2   HIS  122  10.28 +/- 1.08   5.073% * 45.4426% (0.65   0.18   0.02) =  47.400%  kept
          HB3   ASP- 105 - HD2   HIS  122   6.52 +/- 1.04  72.043% *  2.6336% (0.34   0.02   0.02) =  39.010%  kept
          HG3   PRO   68 - HD2   HIS  122  10.52 +/- 2.54  13.683% *  1.9251% (0.25   0.02   0.02) =   5.416%  kept
          HB    ILE   56 - HD2   HIS  122  13.70 +/- 1.80   2.168% *  7.5677% (0.98   0.02   0.02) =   3.373%  kept
          HB    ILE  103 - HD2   HIS  122  13.44 +/- 2.37   4.304% *  2.1466% (0.28   0.02   0.02) =   1.899%  kept
          HB3   PRO   58 - HD2   HIS  122  14.40 +/- 1.77   1.491% *  4.6828% (0.61   0.02   0.02) =   1.436%  kept
          HB3   LYS+  38 - HD2   HIS  122  16.13 +/- 2.34   0.373% *  7.7034% (1.00   0.02   0.02) =   0.591%  kept
          HB3   GLN   30 - HD2   HIS  122  17.69 +/- 1.84   0.229% *  7.1270% (0.92   0.02   0.02) =   0.335%
          HB2   MET   92 - HD2   HIS  122  19.33 +/- 1.34   0.179% *  6.1822% (0.80   0.02   0.02) =   0.228%
          QB    LYS+  33 - HD2   HIS  122  17.33 +/- 1.65   0.240% *  3.4614% (0.45   0.02   0.02) =   0.171%
          HG2   ARG+  54 - HD2   HIS  122  20.53 +/- 1.48   0.128% *  2.3829% (0.31   0.02   0.02) =   0.063%
          HB3   GLN   90 - HD2   HIS  122  22.78 +/- 1.25   0.054% *  4.0620% (0.53   0.02   0.02) =   0.045%
          QB    LYS+  81 - HD2   HIS  122  24.01 +/- 1.33   0.036% *  4.6828% (0.61   0.02   0.02) =   0.035%
    Distance limit 4.52 A violated in 14 structures by 1.59 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 = 0.909, support = 5.76, residual support = 49.4:
          HB2   LYS+ 121 - HD2   HIS  122   4.20 +/- 0.72  91.272% * 68.8655% (0.92   5.81  50.05) =  96.354%  kept
          HB2   LEU  123 - HD2   HIS  122   7.06 +/- 0.80   7.981% * 29.7843% (0.53   4.41  31.06) =   3.644%  kept
          QD    LYS+  65 - HD2   HIS  122  12.65 +/- 1.61   0.250% *  0.2428% (0.95   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HD2   HIS  122  14.91 +/- 2.46   0.078% *  0.1962% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  15.71 +/- 2.07   0.058% *  0.2561% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  14.90 +/- 1.59   0.089% *  0.0963% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   HIS  122  15.85 +/- 1.48   0.053% *  0.1453% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  13.38 +/- 1.28   0.156% *  0.0396% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  16.86 +/- 1.41   0.033% *  0.0714% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  21.00 +/- 1.79   0.009% *  0.2516% (0.98   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  18.12 +/- 1.27   0.022% *  0.0508% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.09 A, kept.
 
    Peak 254 (1.53, 6.83, 120.22 ppm):
    9 chemical-shift based assignments, quality = 0.866, support = 4.84, residual support = 50.0:
          HB3   LYS+ 121 - HD2   HIS  122   4.64 +/- 1.16  53.854% * 71.4368% (1.00   4.73  50.05) =  80.028%  kept
          HD2   LYS+ 121 - HD2   HIS  122   5.07 +/- 1.63  35.196% * 27.2092% (0.34   5.27  50.05) =  19.921%  kept
          QD    LYS+  66 - HD2   HIS  122   8.21 +/- 2.63   9.791% *  0.2196% (0.73   0.02   0.02) =   0.045%
          HG    LEU  104 - HD2   HIS  122   9.62 +/- 1.82   0.866% *  0.3018% (1.00   0.02   0.02) =   0.005%
          HB3   LYS+ 111 - HD2   HIS  122  14.52 +/- 1.51   0.070% *  0.2919% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  15.40 +/- 1.27   0.049% *  0.2861% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD2   HIS  122  12.61 +/- 1.71   0.139% *  0.0841% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  18.32 +/- 2.23   0.015% *  0.1032% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  17.43 +/- 1.18   0.020% *  0.0673% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.268, support = 2.44, residual support = 12.1:
          QG2   ILE  119 - HD2   HIS  122   4.02 +/- 1.11  51.858% * 62.9343% (0.18  1.00   2.75  13.61) =  88.387%  kept
          QD1   LEU   67 - HD2   HIS  122   5.73 +/- 2.66  30.087% * 12.9069% (1.00  1.00   0.10   0.64) =  10.517%  kept
          QD2   LEU   40 - HD2   HIS  122   6.71 +/- 1.95  12.065% *  2.6137% (1.00  1.00   0.02   0.57) =   0.854%  kept
          QG2   ILE  103 - HD2   HIS  122   9.74 +/- 1.72   2.044% *  2.5224% (0.97  1.00   0.02   0.02) =   0.140%
          QD2   LEU   71 - HD2   HIS  122  11.62 +/- 2.00   1.774% *  1.0745% (0.41  1.00   0.02   0.02) =   0.052%
          QD1   ILE  103 - HD2   HIS  122  11.71 +/- 2.20   2.155% *  0.8067% (0.31  1.00   0.02   0.02) =   0.047%
        T HB    VAL   75 - HD2   HIS  122  17.13 +/- 1.80   0.009% * 14.7974% (0.57 10.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HD2   HIS  122  16.56 +/- 1.34   0.009% *  2.3440% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.489, support = 4.58, residual support = 30.8:
          QD1   LEU  123 - HD2   HIS  122   4.83 +/- 1.28  60.440% * 51.7339% (0.49   4.65  31.06) =  93.936%  kept
          QD2   LEU  123 - HD2   HIS  122   7.22 +/- 0.95   3.936% * 44.3507% (0.49   3.99  31.06) =   5.244%  kept
          HB3   LEU  104 - HD2   HIS  122   8.20 +/- 1.74   6.662% *  3.4752% (0.84   0.18   0.02) =   0.696%  kept
          QG1   VAL   70 - HD2   HIS  122   6.12 +/- 1.22  23.967% *  0.1271% (0.28   0.02   0.02) =   0.092%
          QD1   LEU   71 - HD2   HIS  122  11.27 +/- 2.32   4.756% *  0.2226% (0.49   0.02   0.02) =   0.032%
          QG1   VAL   18 - HD2   HIS  122  12.19 +/- 1.27   0.238% *  0.0905% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.60 A violated in 3 structures by 0.37 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.354:
        T QG2   THR  118 - HD2   HIS  122   4.55 +/- 0.63 100.000% *100.0000% (0.69 10.00   0.02   0.35) = 100.000%  kept
    Distance limit 3.22 A violated in 15 structures by 1.33 A, eliminated.
    Peak unassigned.
 
    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 = 0.917, support = 1.18, residual support = 13.7:
          HB3   LEU   73 - HE3   TRP   27   4.57 +/- 0.52  67.864% * 58.4978% (0.94   1.21  14.30) =  95.637%  kept
          HG3   LYS+  65 - HN    LEU   67   6.24 +/- 0.47  12.645% *  6.2427% (0.15   0.80   0.02) =   1.902%  kept
          HB    VAL   42 - HE3   TRP   27   8.47 +/- 1.29   3.090% * 22.7837% (0.97   0.45   0.02) =   1.696%  kept
          HB2   LEU   80 - HE3   TRP   27   8.15 +/- 1.48   7.315% *  3.9091% (0.17   0.44   6.41) =   0.689%  kept
          QB    LEU   98 - HE3   TRP   27   9.02 +/- 1.26   1.885% *  0.5807% (0.56   0.02   0.02) =   0.026%
          HG3   LYS+  33 - HE3   TRP   27  10.21 +/- 1.53   0.785% *  1.0234% (0.99   0.02   0.02) =   0.019%
          HB3   LYS+  74 - HE3   TRP   27   9.02 +/- 0.80   1.323% *  0.3166% (0.31   0.02   0.02) =   0.010%
          HG    LEU   98 - HE3   TRP   27   9.33 +/- 1.56   1.816% *  0.1388% (0.13   0.02   0.02) =   0.006%
          HB    VAL   42 - HN    LEU   67   8.88 +/- 0.72   1.478% *  0.1564% (0.15   0.02   0.02) =   0.006%
          QB    ALA   84 - HE3   TRP   27  10.26 +/- 1.19   0.813% *  0.2030% (0.20   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HE3   TRP   27  14.84 +/- 0.60   0.066% *  0.7838% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HE3   TRP   27  16.69 +/- 1.70   0.034% *  0.9468% (0.91   0.02   0.02) =   0.001%
          QB    ALA   12 - HE3   TRP   27  17.97 +/- 2.25   0.028% *  0.8567% (0.83   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HE3   TRP   27  18.06 +/- 1.34   0.023% *  1.0054% (0.97   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   67  13.52 +/- 0.54   0.113% *  0.1510% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   67  13.86 +/- 2.46   0.255% *  0.0444% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   93 - HE3   TRP   27  16.34 +/- 0.86   0.035% *  0.2283% (0.22   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   67  14.11 +/- 1.36   0.086% *  0.0904% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  16.52 +/- 1.49   0.038% *  0.1592% (0.15   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   67  15.80 +/- 1.20   0.043% *  0.1333% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  19.70 +/- 1.78   0.013% *  0.2852% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  14.41 +/- 0.67   0.077% *  0.0493% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  20.78 +/- 3.47   0.024% *  0.1473% (0.14   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  17.39 +/- 1.45   0.028% *  0.1220% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  24.25 +/- 1.11   0.003% *  0.8897% (0.86   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  18.70 +/- 1.92   0.018% *  0.1384% (0.13   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  15.47 +/- 2.02   0.058% *  0.0216% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  16.85 +/- 1.15   0.032% *  0.0355% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  20.33 +/- 0.66   0.009% *  0.0316% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  22.34 +/- 1.02   0.006% *  0.0279% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.01 A, kept.
 
    Peaks:
      selected                               :    240
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    180
      with given assignment possibilities    :      0
      with unique volume contribution        :    111
      with multiple volume contributions     :     89
      eliminated by violation filter         :     10
 
    Peaks:
      selected                               :    240
      without assignment                     :     27
      with assignment                        :    213
      with unique assignment                 :    136
      with multiple assignment               :     77
      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             :    181
 
    Atoms with eliminated volume contribution > 2.5: