- 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 = 3.38, residual support = 43.6:
      O   HA    MET   11 - HN    MET   11   2.78 +/- 0.21  96.647% * 99.3074% (0.95  10.0   3.38  43.63) =  99.997%  kept
          HA    ALA   12 - HN    MET   11   5.00 +/- 0.28   3.333% *  0.0762% (0.73   1.0   0.02  12.23) =   0.003%
          HA    GLU-  14 - HN    MET   11  11.80 +/- 0.54   0.019% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  21.94 +/- 3.26   0.001% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  30.72 +/- 2.95   0.000% *  0.0969% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  32.66 +/- 3.41   0.000% *  0.0802% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  32.97 +/- 3.96   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  36.50 +/- 3.42   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  40.43 +/- 5.34   0.000% *  0.0721% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  41.55 +/- 4.66   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  34.46 +/- 3.16   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  41.36 +/- 3.76   0.000% *  0.0234% (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 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 2.89, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.82 +/- 0.07  35.026% * 68.6590% (0.71  10.0   2.38  12.28) =  54.399%  kept
      O   HA    MET   11 - HN    ALA   12   2.54 +/- 0.13  64.910% * 31.0568% (0.32  10.0   3.49  12.23) =  45.601%  kept
          HA    GLU-  14 - HN    ALA   12   8.21 +/- 0.60   0.065% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  27.44 +/- 2.29   0.000% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  31.51 +/- 2.38   0.000% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  37.77 +/- 4.43   0.000% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  29.74 +/- 2.59   0.000% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  33.54 +/- 2.61   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  38.78 +/- 3.74   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 1.71, residual support = 5.17:
      O   HA    ALA   12 - HN    SER   13   2.57 +/- 0.12  97.853% * 97.9793% (0.14  10.0   1.71   5.17) =  99.996%  kept
          HA    GLU-  14 - HN    SER   13   4.93 +/- 0.39   2.147% *  0.1677% (0.20   1.0   0.02   6.68) =   0.004%
          HA    PHE   59 - HN    SER   13  25.44 +/- 1.55   0.000% *  0.4458% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  29.36 +/- 2.04   0.000% *  0.4458% (0.53   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  35.64 +/- 3.65   0.000% *  0.8306% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  35.50 +/- 3.49   0.000% *  0.1307% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 7.55:
      O   QB    SER   13 - HN    SER   13   2.95 +/- 0.32  99.968% * 99.5044% (0.87  10.0   2.06   7.55) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  14.70 +/- 2.63   0.022% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  15.85 +/- 2.29   0.010% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  29.76 +/- 1.99   0.000% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  34.76 +/- 3.32   0.000% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  31.70 +/- 2.93   0.000% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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   2.54 +/- 0.08  99.752% * 99.5491% (0.81  10.0   5.47  50.10) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.15 +/- 0.14   0.207% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  12.42 +/- 0.65   0.008% *  0.1100% (0.89   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  11.00 +/- 1.33   0.022% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  14.79 +/- 1.08   0.003% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  13.42 +/- 0.96   0.006% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  17.59 +/- 2.52   0.002% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  18.19 +/- 0.91   0.001% *  0.0995% (0.81   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  23.04 +/- 1.28   0.000% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 77.2:
      O   HA    VAL   18 - HN    VAL   18   2.88 +/- 0.01  99.306% * 98.8751% (0.36  10.0   5.49  77.16) =  99.999%  kept
          HA1   GLY   16 - HN    VAL   18   6.65 +/- 0.11   0.655% *  0.1181% (0.43   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   18  11.52 +/- 0.93   0.028% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  15.66 +/- 0.95   0.004% *  0.2110% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  18.01 +/- 1.38   0.002% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  16.71 +/- 0.79   0.003% *  0.1492% (0.55   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  17.89 +/- 0.64   0.002% *  0.1083% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  23.43 +/- 1.48   0.000% *  0.0813% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 2.11, residual support = 6.68:
      O   HA    SER   13 - HN    GLU-  14   2.48 +/- 0.16  98.453% * 99.4257% (0.67  10.0   2.11   6.68) =  99.998%  kept
          HA    GLU-  15 - HN    GLU-  14   5.11 +/- 0.40   1.508% *  0.0994% (0.67   1.0   0.02   1.11) =   0.002%
          HA    GLN   17 - HN    GLU-  14   9.93 +/- 0.69   0.031% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  13.91 +/- 2.17   0.005% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  17.46 +/- 1.69   0.001% *  0.0861% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  21.42 +/- 1.44   0.000% *  0.0975% (0.66   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  18.59 +/- 1.32   0.001% *  0.0204% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  24.97 +/- 1.69   0.000% *  0.0825% (0.56   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  22.70 +/- 2.34   0.000% *  0.0229% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  26.11 +/- 1.35   0.000% *  0.0159% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 3.44, residual support = 16.5:
          HN    GLN   17 - HN    GLY   16   2.38 +/- 0.09  99.985% * 86.2137% (0.13   3.44  16.50) = 100.000%  kept
          HN    ALA   61 - HN    GLY   16  13.35 +/- 0.85   0.004% *  3.6727% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  11.82 +/- 1.39   0.010% *  0.5717% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  16.77 +/- 0.80   0.001% *  2.5453% (0.67   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  26.38 +/- 3.61   0.000% *  3.4206% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  27.18 +/- 1.49   0.000% *  3.5760% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 277 (8.66, 7.69, 115.83 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 16.5:
        T HN    GLY   16 - HN    GLN   17   2.38 +/- 0.09 100.000% * 99.8536% (1.00 10.00   3.44  16.50) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  22.34 +/- 1.27   0.000% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  24.90 +/- 1.41   0.000% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 278 (4.42, 8.66, 110.73 ppm):
    9 chemical-shift based assignments, quality = 0.478, support = 2.08, residual support = 6.1:
      O   HA    GLU-  15 - HN    GLY   16   2.64 +/- 0.16  97.425% * 76.7384% (0.47  10.0   2.07   6.02) =  99.255%  kept
          HA    GLN   17 - HN    GLY   16   4.91 +/- 0.08   2.479% * 22.6245% (0.97   1.0   2.90  16.50) =   0.744%  kept
          HA    SER   13 - HN    GLY   16   9.08 +/- 0.65   0.068% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  13.18 +/- 1.28   0.008% *  0.1563% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  13.07 +/- 1.13   0.007% *  0.1083% (0.67   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  12.78 +/- 1.55   0.010% *  0.0487% (0.30   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  15.82 +/- 1.04   0.002% *  0.0707% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  20.22 +/- 0.98   0.001% *  0.1521% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  23.01 +/- 2.39   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 = 0.831, support = 0.0199, residual support = 0.0199:
          HA    VAL   18 - HN    GLY   16   6.56 +/- 0.13  74.034% * 12.6997% (0.90   0.02   0.02) =  84.878%  kept
          HA    VAL   70 - HN    GLY   16   8.34 +/- 1.38  24.213% *  6.1679% (0.44   0.02   0.02) =  13.482%  kept
          HA    LYS+  33 - HN    GLY   16  13.53 +/- 1.21   1.051% * 10.5138% (0.75   0.02   0.02) =   0.998%  kept
          HA    GLU-  29 - HN    GLY   16  17.16 +/- 0.99   0.239% * 12.3380% (0.87   0.02   0.02) =   0.266%
          HA    GLN   32 - HN    GLY   16  16.79 +/- 1.26   0.275% *  9.4500% (0.67   0.02   0.02) =   0.235%
          HA    GLN  116 - HN    GLY   16  20.16 +/- 1.62   0.104% *  6.1679% (0.44   0.02   0.02) =   0.058%
          HA    SER   48 - HN    GLY   16  23.27 +/- 1.19   0.039% * 12.6997% (0.90   0.02   0.02) =   0.045%
          HB2   SER   82 - HN    GLY   16  27.17 +/- 2.08   0.016% * 13.2768% (0.94   0.02   0.02) =   0.019%
          HD2   PRO   52 - HN    GLY   16  25.98 +/- 1.29   0.020% *  6.6964% (0.47   0.02   0.02) =   0.012%
          HA    ALA   88 - HN    GLY   16  29.97 +/- 2.03   0.008% *  9.9899% (0.71   0.02   0.02) =   0.007%
    Distance limit 3.41 A violated in 20 structures by 2.80 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.978, support = 5.08, residual support = 82.1:
      O   HA    GLN   17 - HN    GLN   17   2.90 +/- 0.01  60.321% * 95.5845% (0.99  10.0   5.17  84.34) =  97.309%  kept
          HA    GLU-  15 - HN    GLN   17   3.11 +/- 0.08  39.607% *  4.0258% (0.49   1.0   1.72   0.02) =   2.691%  kept
          HA    SER   13 - HN    GLN   17   9.84 +/- 0.72   0.048% *  0.0469% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  12.97 +/- 0.92   0.008% *  0.0662% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  14.89 +/- 1.09   0.004% *  0.0956% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  14.34 +/- 1.14   0.005% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  13.83 +/- 1.27   0.006% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  18.55 +/- 1.00   0.001% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  21.40 +/- 2.45   0.001% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 84.3:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 99.1229% (0.70  10.0 10.00   1.00  84.34) = 100.000%  kept
        T HE21  GLN   17 - HE22  GLN   32  23.90 +/- 2.24   0.000% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  22.09 +/- 3.15   0.000% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  22.08 +/- 2.68   0.000% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  23.00 +/- 2.74   0.000% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  29.29 +/- 2.06   0.000% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  30.81 +/- 2.88   0.000% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  31.04 +/- 1.58   0.000% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.3:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 99.4952% (0.63  10.0   1.00  84.34) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  19.01 +/- 2.33   0.000% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  22.73 +/- 3.26   0.000% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  23.90 +/- 2.24   0.000% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  32.23 +/- 2.22   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 = 0.242, support = 3.29, residual support = 18.1:
      O   HA1   GLY   16 - HN    GLN   17   3.22 +/- 0.04  91.771% * 63.1753% (0.22  10.0   3.26  16.50) =  95.347%  kept
          HA    VAL   18 - HN    GLN   17   4.85 +/- 0.13   7.978% * 35.4534% (0.65   1.0   3.86  50.10) =   4.651%  kept
          HA    VAL   70 - HN    GLN   17   9.53 +/- 1.20   0.198% *  0.2831% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   17  12.41 +/- 1.09   0.033% *  0.1493% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN   17  14.43 +/- 0.95   0.012% *  0.2370% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  17.16 +/- 0.72   0.004% *  0.1949% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  19.75 +/- 1.54   0.002% *  0.2831% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  21.20 +/- 1.27   0.001% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  25.85 +/- 1.80   0.000% *  0.1607% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HN    ILE   19   2.83 +/- 0.68 100.000% *100.0000% (0.87   2.00   4.00) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.08 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.9, residual support = 22.4:
      O   HA    VAL   18 - HN    ILE   19   2.24 +/- 0.04  99.944% * 99.2246% (0.65  10.0   4.90  22.44) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19  10.02 +/- 0.54   0.013% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.51 +/- 0.32   0.034% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  13.13 +/- 0.85   0.003% *  0.1281% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  13.57 +/- 0.67   0.002% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  13.28 +/- 0.93   0.003% *  0.0807% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  18.72 +/- 1.43   0.000% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  16.67 +/- 1.00   0.001% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  20.09 +/- 1.90   0.000% *  0.0868% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.77, residual support = 175.1:
      O   HA    ILE   19 - HN    ILE   19   2.89 +/- 0.02  99.963% * 99.7071% (0.87  10.0   6.77 175.14) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  11.43 +/- 0.48   0.027% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  14.92 +/- 0.45   0.005% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  16.73 +/- 1.02   0.003% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  22.04 +/- 0.87   0.001% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  21.25 +/- 1.47   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.05, residual support = 25.4:
      O   HA    ILE   19 - HN    ALA   20   2.27 +/- 0.05  99.977% * 99.7374% (0.97  10.0   5.05  25.36) = 100.000%  kept
          HA    THR   26 - HN    ALA   20   9.48 +/- 0.53   0.020% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.27 +/- 0.41   0.003% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  18.23 +/- 1.26   0.000% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  19.99 +/- 1.57   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  25.60 +/- 0.79   0.000% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.92 +/- 0.02  99.934% * 99.9455% (0.97  10.0   3.14  15.22) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20  10.01 +/- 0.58   0.066% *  0.0545% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 3.95, residual support = 10.3:
        T HN    LYS+  74 - HN    CYS   21   2.69 +/- 0.44  99.816% * 99.2410% (0.76 10.00   3.95  10.26) = 100.000%  kept
          HN    THR   46 - HN    CYS   21   8.85 +/- 0.70   0.123% *  0.1299% (1.00  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119  10.34 +/- 0.56   0.050% *  0.0102% (0.08  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  16.19 +/- 2.03   0.004% *  0.1228% (0.95  1.00   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  18.20 +/- 0.85   0.002% *  0.3136% (0.24 10.00   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  17.46 +/- 1.15   0.002% *  0.0410% (0.32  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  17.79 +/- 1.24   0.002% *  0.0388% (0.30  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  24.41 +/- 3.17   0.001% *  0.0534% (0.41  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  23.45 +/- 1.13   0.000% *  0.0324% (0.25  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  35.13 +/- 1.98   0.000% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 14.4:
      O   HA    ALA   20 - HN    CYS   21   2.21 +/- 0.01  99.991% * 99.8901% (0.95  10.0   2.86  14.43) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  11.00 +/- 0.63   0.007% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  20.54 +/- 1.00   0.000% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  16.30 +/- 1.09   0.001% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  20.61 +/- 1.13   0.000% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  18.02 +/- 1.44   0.000% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 295 (4.22, 7.86, 120.86 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 3.84, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.78 +/- 0.04  99.992% * 99.8043% (0.83  10.0   3.84  41.03) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.87 +/- 0.90   0.007% *  0.0751% (0.63   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  21.46 +/- 1.20   0.001% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  26.23 +/- 1.11   0.000% *  0.0181% (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 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.5, residual support = 6.53:
          HA    PHE   59 - HN    ASP-  62   3.64 +/- 0.26  98.779% * 92.4913% (0.52   1.50   6.53) =  99.983%  kept
          HA    ILE   56 - HN    ASP-  62   7.91 +/- 0.92   1.108% *  1.2332% (0.52   0.02   0.02) =   0.015%
          HA    ASP- 113 - HN    ASP-  62  14.23 +/- 0.95   0.034% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP-  62  12.68 +/- 1.06   0.068% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  18.34 +/- 0.80   0.007% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  23.11 +/- 0.56   0.002% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  24.07 +/- 1.75   0.001% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.06 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.39, residual support = 21.5:
          HN    THR   23 - HN    HIS   22   2.58 +/- 0.23  99.792% * 97.3194% (0.69   3.39  21.47) =  99.998%  kept
          HE3   TRP   27 - HN    HIS   22   7.57 +/- 0.76   0.182% *  0.8344% (1.00   0.02   0.02) =   0.002%
          HN    LYS+  81 - HN    HIS   22  11.00 +/- 1.45   0.021% *  0.1465% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    HIS   22  14.91 +/- 0.79   0.003% *  0.6072% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  20.96 +/- 1.95   0.000% *  0.8344% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  19.38 +/- 0.76   0.001% *  0.2581% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 5.26:
          HA    ALA   20 - HN    HIS   22   4.98 +/- 0.07  99.794% * 62.6587% (0.95   0.02   5.26) =  99.950%  kept
          HA    LEU   71 - HN    HIS   22  14.15 +/- 0.58   0.195% * 14.7469% (0.22   0.02   0.02) =   0.046%
          HA    LYS+ 102 - HN    HIS   22  22.89 +/- 1.40   0.011% * 22.5944% (0.34   0.02   0.02) =   0.004%
    Distance limit 3.80 A violated in 20 structures by 1.17 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.84, residual support = 14.1:
        T HN    THR   26 - HN    THR   23   4.12 +/- 0.33  93.431% * 99.8319% (0.69 10.00   3.84  14.05) =  99.997%  kept
          HN    LEU   80 - HN    THR   23   7.19 +/- 1.84   6.493% *  0.0496% (0.34  1.00   0.02   4.10) =   0.003%
          HN    ALA   34 - HN    THR   23  14.03 +/- 0.33   0.066% *  0.0362% (0.25  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  19.51 +/- 1.35   0.010% *  0.0823% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.39, residual support = 21.5:
        T HN    HIS   22 - HN    THR   23   2.58 +/- 0.23  98.981% * 99.9047% (0.99 10.00   3.39  21.47) =  99.999%  kept
          HN    ASP-  76 - HN    THR   23   6.01 +/- 0.72   1.019% *  0.0953% (0.95  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.84, residual support = 33.9:
        T HN    GLU-  25 - HN    VAL   24   2.70 +/- 0.09  98.825% * 99.8571% (0.98 10.00   7.84  33.88) =  99.999%  kept
          HN    ASN   28 - HN    VAL   24   5.74 +/- 0.25   1.157% *  0.0419% (0.41  1.00   0.02  13.04) =   0.000%
          HN    ASP-  44 - HN    VAL   24  12.03 +/- 1.51   0.018% *  0.1010% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 7.84, residual support = 33.9:
        T HN    VAL   24 - HN    GLU-  25   2.70 +/- 0.09 100.000% *100.0000% (1.00 10.00   7.84  33.88) = 100.000%  kept
    Distance limit 3.29 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 = 5.37, residual support = 27.7:
        T HN    THR   26 - HN    GLU-  25   2.94 +/- 0.05  99.998% * 99.9840% (0.97 10.00   5.37  27.67) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.20 +/- 0.95   0.002% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.977, support = 5.36, residual support = 27.5:
        T HN    GLU-  25 - HN    THR   26   2.94 +/- 0.05  90.676% * 94.2207% (0.98 10.00   5.37  27.67) =  99.384%  kept
          HN    ASN   28 - HN    THR   26   4.31 +/- 0.12   9.309% *  5.6841% (0.41  1.00   2.88   0.02) =   0.615%  kept
          HN    ASP-  44 - HN    THR   26  12.67 +/- 0.88   0.016% *  0.0953% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 4.44, residual support = 22.2:
          HN    TRP   27 - HN    THR   26   2.57 +/- 0.08  99.991% * 98.4499% (0.99   4.44  22.20) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  15.41 +/- 2.03   0.003% *  0.2714% (0.61   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  17.26 +/- 0.36   0.001% *  0.2894% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  14.95 +/- 0.43   0.003% *  0.1116% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  17.54 +/- 2.39   0.001% *  0.1679% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  20.14 +/- 0.91   0.000% *  0.3419% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  20.53 +/- 1.25   0.000% *  0.3073% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  20.91 +/- 2.30   0.000% *  0.0605% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.955, support = 3.82, residual support = 14.2:
          HN    THR   23 - HN    THR   26   4.12 +/- 0.33  93.418% * 68.9450% (0.97   3.84  14.05) =  97.796%  kept
          HE3   TRP   27 - HN    THR   26   6.84 +/- 0.41   4.877% * 29.7044% (0.49   3.28  22.20) =   2.200%  kept
          HD2   HIS   22 - HN    THR   26   8.21 +/- 0.85   1.634% *  0.1670% (0.45   0.02   0.02) =   0.004%
          QE    PHE   95 - HN    THR   26  17.46 +/- 0.81   0.017% *  0.3524% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  15.44 +/- 0.78   0.040% *  0.0504% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  20.63 +/- 1.24   0.007% *  0.2260% (0.61   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  21.97 +/- 0.87   0.004% *  0.3439% (0.92   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  24.70 +/- 1.75   0.003% *  0.2109% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.845, support = 4.27, residual support = 54.9:
          HE3   TRP   27 - HN    TRP   27   4.66 +/- 0.20  29.498% * 70.5016% (1.00   5.34 106.57) =  50.816%  kept
          HN    THR   23 - HN    TRP   27   4.02 +/- 0.26  69.924% * 28.7862% (0.69   3.16   1.56) =  49.183%  kept
          HN    LYS+  81 - HN    TRP   27  11.91 +/- 1.98   0.132% *  0.0464% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  15.43 +/- 0.78   0.023% *  0.1923% (0.73   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  12.17 +/- 1.96   0.141% *  0.0238% (0.09   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  13.78 +/- 1.46   0.060% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  11.30 +/- 1.24   0.176% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  15.83 +/- 1.84   0.026% *  0.0327% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  23.02 +/- 1.66   0.002% *  0.2643% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  20.03 +/- 0.86   0.005% *  0.0818% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  17.28 +/- 1.01   0.012% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  24.66 +/- 1.11   0.001% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.44, residual support = 22.2:
        T HN    THR   26 - HN    TRP   27   2.57 +/- 0.08  99.996% * 99.8587% (0.97 10.00   4.44  22.20) = 100.000%  kept
          HN    LEU   71 - HN    TRP   27  14.39 +/- 0.93   0.003% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
        T HN    THR   26 - HN    ALA   91  20.14 +/- 0.91   0.000% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  23.64 +/- 1.31   0.000% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 32.0:
        T HN    GLN   90 - HN    ALA   91   2.97 +/- 0.35  99.829% * 91.0962% (0.12 10.00   6.75  31.98) = 100.000%  kept
        T HN    GLN   90 - HN    TRP   27  18.31 +/- 1.68   0.002% *  7.3725% (0.95 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  12.05 +/- 2.75   0.045% *  0.1735% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    ALA   91  10.37 +/- 1.44   0.086% *  0.0507% (0.07  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.50 +/- 1.61   0.002% *  0.7794% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  11.99 +/- 1.05   0.034% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.46 +/- 1.51   0.001% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  22.05 +/- 1.63   0.001% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.988, support = 5.22, residual support = 52.1:
        T HN    ASN   28 - HN    TRP   27   2.73 +/- 0.10  90.497% * 95.0922% (0.99 10.00   5.24  52.40) =  99.487%  kept
          HN    GLU-  25 - HN    TRP   27   3.99 +/- 0.09   9.460% *  4.6891% (0.38  1.00   2.60   0.16) =   0.513%  kept
          HN    ASP-  44 - HN    TRP   27  10.36 +/- 0.78   0.034% *  0.0394% (0.41  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  19.21 +/- 1.16   0.001% *  0.1175% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  13.69 +/- 1.21   0.007% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  20.30 +/- 1.03   0.001% *  0.0467% (0.49  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  18.98 +/- 1.05   0.001% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  28.11 +/- 1.39   0.000% *  0.0058% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.37, residual support = 106.6:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.884% * 99.6433% (0.76  10.0   2.37 106.57) = 100.000%  kept
          HE21  GLN   30 - HE1   TRP   27   9.12 +/- 1.54   0.112% *  0.1292% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE1   TRP   27  15.38 +/- 1.22   0.003% *  0.0996% (0.76   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  20.32 +/- 2.93   0.001% *  0.1278% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 1.83, residual support = 106.6:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.994% * 99.8818% (0.45  10.0   1.83 106.57) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  15.60 +/- 2.21   0.006% *  0.1182% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.967, support = 5.24, residual support = 33.3:
          HN    GLU-  29 - HN    ASN   28   2.79 +/- 0.11  85.892% * 68.0509% (0.98   5.41  35.16) =  92.919%  kept
          HN    GLN   30 - HN    ASN   28   3.79 +/- 0.09  14.096% * 31.5996% (0.80   3.07   8.21) =   7.081%  kept
          HN    ASP-  86 - HN    ASN   28  14.10 +/- 3.19   0.008% *  0.2228% (0.87   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  16.54 +/- 0.52   0.002% *  0.0348% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  19.47 +/- 1.83   0.001% *  0.0572% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  20.42 +/- 2.82   0.001% *  0.0348% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 5.24, residual support = 52.4:
          HN    TRP   27 - HN    ASN   28   2.73 +/- 0.10  99.963% * 98.6825% (0.99   5.24  52.40) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28  13.64 +/- 2.65   0.010% *  0.2307% (0.61   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  12.43 +/- 0.28   0.012% *  0.0948% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  14.65 +/- 0.38   0.004% *  0.2460% (0.65   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  14.79 +/- 3.02   0.007% *  0.1427% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  19.21 +/- 1.16   0.001% *  0.2906% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  19.90 +/- 1.11   0.001% *  0.2612% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  16.94 +/- 2.39   0.003% *  0.0515% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 315 (7.17, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.36, residual support = 52.4:
          HD1   TRP   27 - HN    ASN   28   3.91 +/- 0.42  98.218% * 98.1329% (0.41   5.37  52.40) =  99.987%  kept
          HE21  GLN   30 - HN    ASN   28   8.36 +/- 0.96   1.770% *  0.6800% (0.76   0.02   8.21) =   0.012%
          QD    PHE   59 - HN    ASN   28  18.69 +/- 1.18   0.009% *  0.3658% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  23.01 +/- 1.73   0.003% *  0.8213% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.12 A, kept.
 
    Peak 316 (6.96, 8.80, 115.33 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 105.8:
          HD22  ASN   28 - HN    ASN   28   2.58 +/- 0.59  99.995% * 99.9341% (0.92   5.75 105.79) = 100.000%  kept
          QE    PHE   72 - HN    ASN   28  15.31 +/- 0.71   0.005% *  0.0659% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 2.94, residual support = 105.8:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.9543% (0.98  10.0   2.94 105.79) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  15.79 +/- 1.22   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 = 2.71:
          HA    GLU-  25 - HD21  ASN   28   4.67 +/- 0.14  99.249% * 96.5836% (1.00   1.27   2.71) =  99.992%  kept
          HA    SER   82 - HD21  ASN   28  12.88 +/- 3.66   0.554% *  0.8642% (0.57   0.02   0.02) =   0.005%
          HA    ILE   19 - HD21  ASN   28  13.60 +/- 0.78   0.183% *  1.4439% (0.95   0.02   0.02) =   0.003%
          HA    CYS   53 - HD21  ASN   28  21.03 +/- 1.52   0.013% *  1.1084% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.43 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.834, support = 5.99, residual support = 105.0:
      O   HA    ASN   28 - HN    ASN   28   2.75 +/- 0.03  95.076% * 86.3009% (0.84  10.0   6.01 105.79) =  99.214%  kept
          HA    THR   26 - HN    ASN   28   4.52 +/- 0.13   4.903% * 13.2540% (0.65   1.0   3.97   0.02) =   0.786%  kept
          HA    ALA   34 - HN    ASN   28  12.12 +/- 0.28   0.013% *  0.0997% (0.97   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  15.29 +/- 3.52   0.008% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  23.10 +/- 1.45   0.000% *  0.0896% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  26.67 +/- 1.11   0.000% *  0.0977% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  23.11 +/- 1.42   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  28.84 +/- 2.32   0.000% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.903, support = 5.07, residual support = 100.0:
      O   HA    TRP   27 - HN    TRP   27   2.78 +/- 0.04  56.998% * 90.4766% (0.97  10.0   5.22 106.57) =  92.825%  kept
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.02  42.973% *  9.2758% (0.10  10.0   3.12  14.57) =   7.175%  kept
          HA    PRO   52 - HN    ALA   91  11.45 +/- 1.90   0.022% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.49 +/- 1.92   0.001% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  15.16 +/- 0.93   0.002% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.54 +/- 0.94   0.000% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.28 +/- 1.21   0.000% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.56 +/- 1.42   0.001% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  15.24 +/- 1.21   0.002% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.83 +/- 1.07   0.000% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 4.44, residual support = 22.2:
          HB    THR   26 - HN    TRP   27   3.38 +/- 0.20  99.905% * 99.0015% (0.99   4.44  22.20) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  14.03 +/- 2.91   0.032% *  0.0788% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  22.01 +/- 1.06   0.001% *  0.4342% (0.97   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.03 +/- 1.03   0.056% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  27.75 +/- 1.13   0.000% *  0.3267% (0.73   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  20.60 +/- 0.94   0.002% *  0.0551% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  22.65 +/- 0.73   0.001% *  0.0536% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  22.80 +/- 1.61   0.001% *  0.0404% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.12 A, kept.
 
    Peak 322 (4.77, 8.12, 116.43 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    THR   26  24.07 +/- 1.12 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.27 A violated in 20 structures by 19.79 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.193, support = 4.27, residual support = 34.0:
      O   HB    THR   26 - HN    THR   26   2.01 +/- 0.06  97.210% * 21.3631% (0.15  10.0   4.16  34.67) =  90.484%  kept
      O   HA    GLU-  25 - HN    THR   26   3.64 +/- 0.00   2.786% * 78.3875% (0.57  10.0   5.27  27.67) =   9.516%  kept
          HA    ILE   19 - HN    THR   26  11.37 +/- 0.47   0.003% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    THR   26  14.44 +/- 2.83   0.001% *  0.1381% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  23.88 +/- 1.11   0.000% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  22.36 +/- 1.51   0.000% *  0.0214% (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 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.649, support = 2.99, residual support = 6.23:
          HB    THR   23 - HN    GLU-  25   2.93 +/- 0.35  86.135% * 29.6272% (0.53   2.79   6.23) =  72.992%  kept
          HA    THR   23 - HN    GLU-  25   4.07 +/- 0.28  13.565% * 69.6019% (0.98   3.52   6.23) =  27.006%  kept
          HA    LEU   80 - HN    GLU-  25   8.25 +/- 2.47   0.292% *  0.2771% (0.69   0.02   0.02) =   0.002%
          HA    ASP-  78 - HN    GLU-  25  13.94 +/- 0.93   0.008% *  0.3817% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    GLU-  25  24.28 +/- 1.65   0.000% *  0.1122% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.79, residual support = 125.3:
      O   HA    GLU-  25 - HN    GLU-  25   2.71 +/- 0.02  99.973% * 99.7793% (0.87  10.0   5.79 125.28) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  12.15 +/- 3.11   0.021% *  0.1032% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  13.81 +/- 0.45   0.006% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  22.46 +/- 1.78   0.000% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.719, support = 5.1, residual support = 25.2:
      O   HA    THR   23 - HN    VAL   24   2.26 +/- 0.10  84.076% * 92.2104% (0.73  10.0   5.09  25.22) =  98.527%  kept
          HB    THR   23 - HN    VAL   24   3.16 +/- 0.34  15.246% *  7.6015% (0.22   1.0   5.38  25.22) =   1.473%  kept
          HA    LEU   80 - HN    VAL   24   5.93 +/- 2.39   0.665% *  0.0433% (0.34   1.0   0.02   8.89) =   0.000%
          HA    ASP-  78 - HN    VAL   24  11.43 +/- 0.89   0.006% *  0.1225% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  11.30 +/- 1.56   0.007% *  0.0222% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.712, support = 3.29, residual support = 19.2:
      O   HA    THR   23 - HN    THR   23   2.91 +/- 0.03  81.245% * 37.7551% (0.61  10.0   3.05  19.20) =  72.942%  kept
      O   HB    THR   23 - HN    THR   23   3.74 +/- 0.09  18.320% * 62.1094% (1.00  10.0   3.95  19.20) =  27.057%  kept
          HA    LEU   80 - HN    THR   23   7.80 +/- 2.10   0.415% *  0.0589% (0.95   1.0   0.02   4.10) =   0.001%
          HA    ASP-  78 - HN    THR   23  11.73 +/- 0.82   0.021% *  0.0192% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  23.29 +/- 1.03   0.000% *  0.0575% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.727, support = 0.02, residual support = 0.02:
          HA    ALA   20 - HN    THR   23   6.83 +/- 0.11  98.950% * 46.5057% (0.73   0.02   0.02) =  98.794%  kept
          HA    LEU   71 - HN    THR   23  14.68 +/- 0.69   1.050% * 53.4943% (0.84   0.02   0.02) =   1.206%  kept
    Distance limit 3.84 A violated in 20 structures by 2.98 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.24, residual support = 14.1:
          HB    THR   26 - HN    THR   23   3.65 +/- 0.21  99.930% * 98.3492% (0.99   2.24  14.05) = 100.000%  kept
          HA    SER   82 - HN    THR   23  13.18 +/- 2.25   0.067% *  0.1549% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  21.36 +/- 1.08   0.003% *  0.8536% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  28.34 +/- 1.05   0.000% *  0.6423% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.13 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.94, residual support = 105.8:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.928% * 99.7763% (0.98  10.0   2.94 105.79) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28   8.36 +/- 4.26   0.071% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  13.49 +/- 1.16   0.001% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  20.85 +/- 0.76   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  22.59 +/- 0.99   0.000% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 5.41, residual support = 35.2:
        T HN    ASN   28 - HN    GLU-  29   2.79 +/- 0.11  98.798% * 99.7796% (0.76 10.00   5.41  35.16) =  99.999%  kept
          HN    GLU-  25 - HN    GLU-  29   5.86 +/- 0.21   1.190% *  0.0948% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    GLU-  29  12.89 +/- 0.51   0.011% *  0.0998% (0.76  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  20.35 +/- 0.86   0.001% *  0.0258% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 6.95, residual support = 49.1:
        T HN    LEU   31 - HN    GLN   30   2.50 +/- 0.09  99.991% * 98.4622% (0.73 10.00   6.95  49.08) = 100.000%  kept
        T HN    PHE   55 - HN    GLN   30  25.30 +/- 1.29   0.000% *  1.3086% (0.97 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  12.53 +/- 0.90   0.007% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  19.67 +/- 2.81   0.001% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  20.60 +/- 0.88   0.000% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  24.48 +/- 1.03   0.000% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.21 +/- 0.72   0.000% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  22.08 +/- 3.23   0.000% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  25.17 +/- 0.80   0.000% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.68 +/- 0.72   0.000% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (7.85, 8.06, 119.69 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 45.5:
        T HN    LEU   31 - HN    GLN   32   2.66 +/- 0.11  99.930% * 99.0995% (0.98 10.00   5.85  45.51) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   8.97 +/- 0.18   0.069% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  27.65 +/- 1.30   0.000% *  0.6945% (0.69 10.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  22.31 +/- 0.59   0.000% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  21.23 +/- 3.32   0.001% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.07 +/- 1.11   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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  44.40) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  23.79 +/- 1.93   0.000% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  24.57 +/- 1.71   0.000% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  31.99 +/- 2.66   0.000% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  33.36 +/- 2.26   0.000% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.59 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  99.987% * 98.9152% (0.83  10.0 10.00   1.00  44.40) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90   9.98 +/- 2.16   0.012% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  13.99 +/- 2.34   0.001% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  22.78 +/- 2.82   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  19.90 +/- 1.94   0.000% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  23.79 +/- 1.93   0.000% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  19.20 +/- 1.41   0.000% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  31.99 +/- 2.66   0.000% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  20.30 +/- 2.60   0.000% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  26.89 +/- 0.84   0.000% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  32.97 +/- 1.75   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  31.99 +/- 1.25   0.000% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  26.75 +/- 0.83   0.000% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  25.63 +/- 2.09   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  26.39 +/- 2.22   0.000% *  0.0141% (0.12   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 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 +/- 0.02  98.977% * 98.7867% (0.90   5.88  51.91) =  99.996%  kept
          HN    THR   39 - HN    ASN   35   5.00 +/- 0.23   1.005% *  0.3618% (0.97   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HN    ASN   35  10.77 +/- 1.64   0.015% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.66 +/- 0.18   0.004% *  0.1541% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  21.20 +/- 3.32   0.000% *  0.3674% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  26.70 +/- 1.65   0.000% *  0.0578% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.28 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  55.47) = 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  99.648% * 99.5029% (0.98  10.0   4.55  55.47) = 100.000%  kept
          HA    LYS+  99 - HN    ASN   35   8.81 +/- 0.64   0.134% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ASN   35   8.05 +/- 0.44   0.208% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  14.40 +/- 1.20   0.007% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  21.86 +/- 2.94   0.001% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  17.86 +/- 2.45   0.002% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  26.38 +/- 1.32   0.000% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  24.82 +/- 0.92   0.000% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.74 +/- 1.66   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 154.1:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  99.914% * 99.6989% (0.90  10.0   2.44 154.11) = 100.000%  kept
          HD1   TRP   27 - HE22  GLN   30   6.80 +/- 1.72   0.085% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  15.19 +/- 1.23   0.000% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  24.07 +/- 2.41   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 = 154.1:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00 100.000% * 99.8775% (0.92  10.0 10.00   2.44 154.11) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  14.81 +/- 1.78   0.000% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  21.31 +/- 1.85   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 = 0.243, support = 0.0198, residual support = 0.0198:
          HA    VAL   42 - HN    GLN   30  11.71 +/- 0.44   9.235% *  6.4793% (0.25   0.02   0.02) =  52.215%  kept
          HA    VAL   42 - HN    LYS+  99   7.97 +/- 0.57  86.261% *  0.4257% (0.02   0.02   0.02) =  32.042%  kept
          HA    GLN   90 - HN    GLN   30  21.34 +/- 1.81   0.277% * 25.0767% (0.97   0.02   0.02) =   6.061%  kept
          HA    ALA  110 - HN    GLN   30  24.64 +/- 1.93   0.110% * 25.9267% (1.00   0.02   0.02) =   2.499%  kept
          HA    VAL  107 - HN    GLN   30  21.65 +/- 0.38   0.232% *  8.8635% (0.34   0.02   0.02) =   1.794%  kept
          HA    PHE   55 - HN    GLN   30  26.38 +/- 2.16   0.093% * 21.7040% (0.84   0.02   0.02) =   1.764%  kept
          HA    VAL  107 - HN    LYS+  99  14.19 +/- 0.28   2.868% *  0.5823% (0.02   0.02   0.02) =   1.457%  kept
          HA    ALA   91 - HN    GLN   30  21.44 +/- 1.66   0.277% *  5.7850% (0.22   0.02   0.02) =   1.399%  kept
          HA    ALA  110 - HN    LYS+  99  20.61 +/- 1.17   0.306% *  1.7034% (0.07   0.02   0.02) =   0.455%
          HA    GLN   90 - HN    LYS+  99  24.52 +/- 1.35   0.110% *  1.6475% (0.06   0.02   0.02) =   0.158%
          HA    PHE   55 - HN    LYS+  99  25.64 +/- 1.29   0.088% *  1.4259% (0.05   0.02   0.02) =   0.109%
          HA    ALA   91 - HN    LYS+  99  23.32 +/- 0.54   0.143% *  0.3801% (0.01   0.02   0.02) =   0.047%
    Distance limit 4.17 A violated in 20 structures by 3.61 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.69, residual support = 39.0:
          HN    ALA   34 - HN    LYS+  33   2.53 +/- 0.13  61.434% * 79.2346% (0.90   4.60  43.40) =  86.314%  kept
          HN    GLN   32 - HN    LYS+  33   2.73 +/- 0.08  38.565% * 20.0144% (0.20   5.27  11.45) =  13.686%  kept
          HN    LEU   80 - HN    LYS+  33  18.47 +/- 2.14   0.000% *  0.3705% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  27.07 +/- 1.16   0.000% *  0.3805% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.03 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  55.47) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  21.71 +/- 1.32   0.000% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  21.25 +/- 1.43   0.000% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  19.61 +/- 2.58   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  19.27 +/- 1.18   0.000% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  32.00 +/- 2.22   0.000% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.61 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 +/- 0.02  99.994% * 99.7986% (0.99 10.00   5.88  51.91) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  12.14 +/- 0.56   0.005% *  0.1363% (0.14 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  18.87 +/- 3.32   0.001% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.345, support = 3.58, residual support = 15.0:
          HN    GLU-  36 - HN    SER   37   2.47 +/- 0.09  82.839% * 38.5142% (0.25   3.97  18.77) =  76.007%  kept
          HN    THR   39 - HN    SER   37   3.22 +/- 0.10  17.152% * 58.7181% (0.65   2.33   2.97) =  23.993%  kept
          HN    TRP   27 - HN    SER   37  15.18 +/- 0.22   0.002% *  0.7707% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  12.34 +/- 1.43   0.007% *  0.1052% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  22.21 +/- 0.67   0.000% *  0.5341% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  24.27 +/- 3.31   0.000% *  0.4716% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  23.65 +/- 4.09   0.000% *  0.2918% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  29.41 +/- 1.61   0.000% *  0.5942% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.937, support = 5.24, residual support = 27.8:
          HN    THR   39 - HN    LYS+  38   2.57 +/- 0.09  88.061% * 83.3604% (0.95   5.34  28.45) =  97.520%  kept
          HN    GLU-  36 - HN    LYS+  38   3.60 +/- 0.06  11.917% * 15.6650% (0.57   1.68   0.63) =   2.480%  kept
          HN    LYS+ 102 - HN    LYS+  38  10.91 +/- 1.36   0.020% *  0.1240% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  16.21 +/- 0.26   0.001% *  0.2525% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  24.37 +/- 3.31   0.000% *  0.3050% (0.92   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  22.32 +/- 0.69   0.000% *  0.1127% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  23.46 +/- 4.12   0.000% *  0.0447% (0.14   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  29.49 +/- 1.55   0.000% *  0.1358% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.27 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  88.258% * 83.8445% (0.38  10.0   4.70  51.91) =  97.787%  kept
          HA    SER   37 - HN    GLU-  36   5.05 +/- 0.07  11.278% * 14.8447% (0.38   1.0   3.54  18.77) =   2.212%  kept
          HA    LEU   40 - HN    GLU-  36   9.53 +/- 0.33   0.255% *  0.2234% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  36  10.40 +/- 0.62   0.163% *  0.0557% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    GLU-  36  14.30 +/- 1.14   0.024% *  0.2113% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  16.90 +/- 2.58   0.013% *  0.2113% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  18.25 +/- 0.86   0.005% *  0.0838% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  22.94 +/- 3.00   0.002% *  0.1175% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  26.19 +/- 0.87   0.001% *  0.2156% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  24.77 +/- 0.74   0.001% *  0.1002% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.11 +/- 1.28   0.000% *  0.0918% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 86.8:
      O   HA    GLU-  36 - HN    GLU-  36   2.83 +/- 0.03  99.999% * 99.7892% (0.69  10.0   6.06  86.76) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  21.64 +/- 0.86   0.001% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  25.96 +/- 2.14   0.000% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  23.62 +/- 2.86   0.000% *  0.0287% (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 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.07, residual support = 26.5:
      O   HA    SER   37 - HN    SER   37   2.92 +/- 0.00  99.786% * 99.4774% (0.97  10.0   4.07  26.47) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.40 +/- 0.19   0.178% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  13.08 +/- 1.22   0.014% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.18 +/- 0.33   0.012% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  15.73 +/- 2.53   0.007% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  17.12 +/- 0.93   0.003% *  0.0995% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.97 +/- 0.58   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  25.28 +/- 0.81   0.000% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 18.8:
      O   HA    GLU-  36 - HN    SER   37   3.47 +/- 0.01  99.997% * 99.6452% (0.34  10.0   4.29  18.77) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  19.87 +/- 0.91   0.003% *  0.2819% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  27.09 +/- 1.99   0.000% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.8, residual support = 13.5:
      O   HA    SER   37 - HN    LYS+  38   3.40 +/- 0.02  98.947% * 99.2058% (0.73  10.0   4.80  13.53) =  99.999%  kept
          HA    LEU   40 - HN    LYS+  38   7.35 +/- 0.14   0.974% *  0.1141% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LYS+  38  14.05 +/- 1.29   0.023% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  16.98 +/- 2.51   0.010% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.82 +/- 0.22   0.034% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  17.73 +/- 1.01   0.005% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  20.23 +/- 3.08   0.004% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  25.34 +/- 0.83   0.001% *  0.1292% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  25.20 +/- 0.43   0.001% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  27.36 +/- 1.23   0.000% *  0.0211% (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 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   4.18 +/- 0.05  99.975% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    ALA  124 - HN    LYS+  38  20.52 +/- 2.94   0.013% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  66 - HN    LYS+  38  19.64 +/- 0.85   0.010% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  27.62 +/- 1.90   0.001% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  29.79 +/- 1.38   0.001% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 38.3:
      O   HA    THR   39 - HN    THR   39   2.87 +/- 0.02  99.982% * 99.4345% (1.00  10.0   3.86  38.28) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  12.70 +/- 0.47   0.014% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  17.00 +/- 0.28   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  20.10 +/- 3.28   0.001% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  23.32 +/- 0.92   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  25.80 +/- 0.85   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  25.45 +/- 0.60   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  28.43 +/- 2.64   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  32.29 +/- 1.41   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 23.6:
      O   HA    THR   39 - HN    LEU   40   2.29 +/- 0.04  99.986% * 99.4345% (1.00  10.0   4.03  23.59) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.52 +/- 0.55   0.011% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.42 +/- 0.25   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  20.06 +/- 0.84   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  22.07 +/- 2.82   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  25.46 +/- 0.74   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  24.01 +/- 0.54   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  27.50 +/- 2.30   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  29.42 +/- 1.34   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 5.13, residual support = 102.7:
      O   HA    LEU   40 - HN    LEU   40   2.79 +/- 0.02  95.994% * 99.4414% (1.00  10.0   5.13 102.67) =  99.999%  kept
          HA    LYS+  99 - HN    LEU   40   4.98 +/- 0.53   3.647% *  0.0248% (0.25   1.0   0.02  12.50) =   0.001%
          HA    ASN   35 - HN    LEU   40   8.11 +/- 0.37   0.168% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    LEU   40   8.53 +/- 0.12   0.119% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  11.88 +/- 1.58   0.024% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  13.51 +/- 2.96   0.034% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  13.50 +/- 1.41   0.010% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  16.93 +/- 2.03   0.003% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  19.35 +/- 0.88   0.001% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  21.06 +/- 0.33   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  21.39 +/- 1.21   0.001% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.52, residual support = 74.7:
      O   HA    VAL   41 - HN    VAL   41   2.92 +/- 0.02  99.992% * 99.4222% (0.22  10.0   4.52  74.66) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.91 +/- 0.18   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  18.63 +/- 1.10   0.002% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  23.67 +/- 0.61   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 0.996, support = 5.0, residual support = 19.6:
      O   HA    LEU   40 - HN    VAL   41   2.25 +/- 0.03  83.804% * 97.3846% (1.00  10.0   5.02  19.67) =  99.588%  kept
          HA    LYS+  99 - HN    VAL   41   3.13 +/- 0.45  16.132% *  2.0926% (0.25   1.0   1.72   0.02) =   0.412%
          HA    ASN   35 - HN    VAL   41   7.84 +/- 0.44   0.051% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  11.09 +/- 0.17   0.006% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  14.36 +/- 1.25   0.002% *  0.0921% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  15.01 +/- 2.63   0.002% *  0.0512% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  15.13 +/- 1.12   0.001% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  19.13 +/- 0.90   0.000% *  0.0940% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  19.96 +/- 1.82   0.000% *  0.0921% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  18.45 +/- 0.17   0.000% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  19.95 +/- 1.15   0.000% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.21, residual support = 29.8:
        T HN    LEU   98 - HN    VAL   41   3.21 +/- 0.52 100.000% *100.0000% (0.97 10.00   5.21  29.79) = 100.000%  kept
    Distance limit 4.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.47, residual support = 5.46:
          HA    PHE   72 - HN    VAL   42   3.91 +/- 0.35 100.000% *100.0000% (0.22   1.47   5.46) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.05 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.12, residual support = 23.9:
      O   HA    VAL   41 - HN    VAL   42   2.20 +/- 0.02  99.993% * 99.4222% (0.22  10.0   5.12  23.94) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.24 +/- 0.16   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  15.21 +/- 1.04   0.001% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  19.99 +/- 0.39   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.42, residual support = 88.3:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.00  99.950% * 99.6568% (0.87  10.0   5.42  88.32) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  11.95 +/- 0.84   0.024% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  12.69 +/- 0.40   0.016% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.81 +/- 0.23   0.006% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  18.04 +/- 1.89   0.002% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  20.60 +/- 1.84   0.001% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  20.48 +/- 1.21   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 40.1:
      O   HA    VAL   42 - HN    VAL   43   2.21 +/- 0.02  99.990% * 99.7026% (1.00  10.0   5.07  40.12) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.58 +/- 0.15   0.005% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  13.78 +/- 0.76   0.002% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  14.24 +/- 1.77   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.83 +/- 0.41   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  17.71 +/- 1.69   0.001% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  16.91 +/- 1.09   0.001% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 2.75, residual support = 6.12:
          HA    LYS+  74 - HN    ASP-  44   3.58 +/- 0.37  99.295% * 96.0041% (0.28   2.75   6.12) =  99.995%  kept
          HA    VAL   41 - HN    ASP-  44   8.61 +/- 0.21   0.619% *  0.4969% (0.20   0.02   0.02) =   0.003%
          HA    MET   92 - HN    ASP-  44  12.48 +/- 0.46   0.067% *  2.1780% (0.87   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    ASP-  44  15.77 +/- 1.36   0.019% *  1.3210% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.14 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.71, residual support = 15.5:
      O   HA    VAL   43 - HN    ASP-  44   2.20 +/- 0.03  99.971% * 99.8182% (0.87  10.0   3.71  15.48) = 100.000%  kept
          HA    HIS   22 - HN    ASP-  44   9.97 +/- 1.23   0.015% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ASP-  44   9.86 +/- 0.29   0.013% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  15.48 +/- 0.25   0.001% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 3.78, residual support = 38.0:
      O   HA    ASP-  44 - HN    ASP-  44   2.92 +/- 0.00  99.934% * 98.9185% (0.49  10.0   3.78  37.97) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.20 +/- 0.53   0.033% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  12.43 +/- 0.61   0.018% *  0.0627% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  16.27 +/- 2.41   0.004% *  0.2028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  15.34 +/- 0.40   0.005% *  0.1396% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  18.45 +/- 1.26   0.002% *  0.1992% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  16.39 +/- 1.63   0.004% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  24.28 +/- 2.41   0.000% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  27.13 +/- 2.79   0.000% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.2:
        T HN    THR   94 - HN    PHE   45   2.87 +/- 0.35  99.955% * 99.8815% (0.84 10.00   3.30  27.21) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  10.98 +/- 0.82   0.045% *  0.1185% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.73, residual support = 80.8:
          QD    PHE   45 - HN    PHE   45   2.34 +/- 0.56  99.990% * 98.5677% (0.53   5.73  80.77) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.26 +/- 1.31   0.007% *  0.6315% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  17.61 +/- 1.82   0.001% *  0.6189% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  18.88 +/- 1.42   0.001% *  0.1819% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   4.03 +/- 0.54 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.47 A violated in 0 structures by 0.09 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.0, residual support = 80.8:
      O   HA    PHE   45 - HN    PHE   45   2.93 +/- 0.01  99.958% * 99.9134% (0.99  10.0   4.00  80.77) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  12.29 +/- 0.16   0.018% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  12.21 +/- 0.62   0.020% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.07 +/- 1.46   0.003% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 19.4:
      O   HA    ASP-  44 - HN    PHE   45   2.28 +/- 0.02  99.917% * 99.3093% (1.00  10.0   4.04  19.37) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   8.61 +/- 0.65   0.038% *  0.0984% (0.99   1.0   0.02   9.36) =   0.000%
          HA    ALA   57 - HN    PHE   45   9.07 +/- 1.07   0.034% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  13.75 +/- 0.78   0.002% *  0.0939% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    PHE   45  14.14 +/- 1.38   0.002% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  13.51 +/- 0.96   0.003% *  0.0602% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.11 +/- 1.15   0.002% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  14.94 +/- 1.97   0.002% *  0.0445% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.49 +/- 0.27   0.000% *  0.0522% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  22.20 +/- 1.36   0.000% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  31.13 +/- 2.83   0.000% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  28.20 +/- 2.55   0.000% *  0.0483% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.41, residual support = 12.5:
          QD    PHE   45 - HN    THR   46   4.44 +/- 0.21  99.816% * 94.4303% (0.22   4.41  12.48) =  99.998%  kept
          HD2   HIS  122 - HN    THR   46  17.17 +/- 1.34   0.038% *  1.8203% (0.95   0.02   0.02) =   0.001%
          HE22  GLN   90 - HN    THR   46  14.32 +/- 1.31   0.105% *  0.2969% (0.15   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    THR   46  18.54 +/- 1.51   0.023% *  1.1671% (0.61   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  20.64 +/- 2.18   0.014% *  1.8570% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  23.75 +/- 0.83   0.004% *  0.4284% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.11 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.74, residual support = 3.95:
          HA    ASP-  76 - HN    THR   46   3.48 +/- 0.97  99.988% * 98.8091% (0.53   2.74   3.95) = 100.000%  kept
          HA    LEU   67 - HN    THR   46  19.12 +/- 1.09   0.012% *  1.1909% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 3 structures by 0.25 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   2.25 +/- 0.04  99.948% * 99.9017% (0.76  10.0   3.97  12.48) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   8.30 +/- 0.49   0.042% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  11.29 +/- 1.41   0.009% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  15.17 +/- 0.18   0.001% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.5:
      O   HA    THR   46 - HN    THR   46   2.92 +/- 0.03  99.805% * 99.4016% (0.57  10.0   3.25  34.51) = 100.000%  kept
          HA    GLN   90 - HN    THR   46   9.43 +/- 1.07   0.117% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    THR   46  12.31 +/- 0.16   0.018% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  13.18 +/- 1.83   0.033% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  12.69 +/- 2.44   0.023% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  16.10 +/- 0.85   0.004% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  25.08 +/- 0.61   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (9.28, 8.46, 117.19 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 3.63, residual support = 12.0:
          HN    THR   77 - HN    THR   46   3.25 +/- 0.62 100.000% *100.0000% (1.00   3.63  12.02) = 100.000%  kept
    Distance limit 4.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.895, support = 2.35, residual support = 11.0:
      O   HA    ALA   47 - HN    ALA   47   2.93 +/- 0.01  78.885% * 96.8065% (0.90  10.0   2.36  11.04) =  99.220%  kept
          HA    CYS   50 - HN    ALA   47   4.75 +/- 1.52  20.423% *  2.9393% (0.73   1.0   0.75   6.82) =   0.780%  kept
          HA    TRP   49 - HN    ALA   47   6.67 +/- 0.53   0.651% *  0.0568% (0.53   1.0   0.02  14.71) =   0.000%
          HA    VAL  108 - HN    ALA   47  11.95 +/- 1.68   0.023% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ALA   47  13.29 +/- 1.73   0.012% *  0.0741% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  14.63 +/- 0.92   0.005% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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   2.45 +/- 0.10  99.819% * 99.4016% (0.57  10.0   3.07  12.67) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47   8.94 +/- 1.38   0.113% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  10.58 +/- 1.46   0.048% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47  11.70 +/- 2.78   0.017% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.84 +/- 0.15   0.001% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  18.16 +/- 1.05   0.001% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  29.06 +/- 0.58   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.3, residual support = 14.9:
        T HN    TRP   49 - HN    SER   48   2.69 +/- 0.12  93.954% * 99.8547% (0.84 10.00   4.31  14.92) =  99.995%  kept
          HN    CYS   50 - HN    SER   48   4.81 +/- 1.16   6.035% *  0.0725% (0.61  1.00   0.02   0.02) =   0.005%
          HN    VAL   83 - HN    SER   48  12.62 +/- 0.82   0.010% *  0.0237% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  18.72 +/- 1.75   0.001% *  0.0491% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (4.57, 9.44, 119.76 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 2.07, residual support = 6.15:
      O   HA    ALA   47 - HN    SER   48   2.30 +/- 0.07  99.002% * 99.6576% (0.90  10.0   2.07   6.15) =  99.999%  kept
          HA    TRP   49 - HN    SER   48   5.25 +/- 0.11   0.705% *  0.0585% (0.53   1.0   0.02  14.92) =   0.000%
          HA    CYS   50 - HN    SER   48   6.57 +/- 0.86   0.289% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    SER   48  15.62 +/- 1.75   0.001% *  0.0890% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  16.77 +/- 1.98   0.001% *  0.0763% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  14.75 +/- 0.82   0.002% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 4.91, residual support = 86.7:
          HD1   TRP   49 - HN    TRP   49   2.68 +/- 0.59  99.951% * 98.2939% (0.92   4.91  86.70) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  13.28 +/- 2.19   0.017% *  0.2803% (0.65   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  14.44 +/- 1.63   0.008% *  0.3470% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  12.40 +/- 0.87   0.017% *  0.1080% (0.25   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  16.35 +/- 0.81   0.003% *  0.2976% (0.69   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  17.27 +/- 1.48   0.003% *  0.0858% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  23.89 +/- 0.59   0.000% *  0.4247% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  30.23 +/- 1.49   0.000% *  0.1626% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.31, residual support = 14.9:
        T HN    SER   48 - HN    TRP   49   2.69 +/- 0.12 100.000% *100.0000% (0.84 10.00   4.31  14.92) = 100.000%  kept
    Distance limit 3.63 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 = 0.936, support = 2.0, residual support = 5.26:
      O   HA    CYS   50 - HN    CYS   50   2.59 +/- 0.32  61.394% * 48.0167% (0.98  10.0   1.64   6.99) =  60.852%  kept
      O   HA    TRP   49 - HN    CYS   50   3.02 +/- 0.54  36.607% * 51.8037% (0.87  10.0   2.55   2.56) =  39.146%  kept
          HA    ALA   47 - HN    CYS   50   5.19 +/- 1.22   1.995% *  0.0338% (0.57   1.0   0.02   6.82) =   0.001%
          HA1   GLY  109 - HN    CYS   50  14.87 +/- 1.88   0.002% *  0.0576% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  14.68 +/- 1.76   0.002% *  0.0268% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  18.12 +/- 1.52   0.001% *  0.0410% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  28.59 +/- 1.20   0.000% *  0.0204% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 4.54, residual support = 84.9:
      O   HA    TRP   49 - HN    TRP   49   2.90 +/- 0.05  79.897% * 81.0691% (0.87  10.0   4.59  86.70) =  97.627%  kept
          HA    ALA   47 - HN    TRP   49   3.86 +/- 0.25  15.345% *  6.4732% (0.57   1.0   2.45  14.71) =   1.497%  kept
          HA    CYS   50 - HN    TRP   49   4.77 +/- 0.39   4.749% * 12.2295% (0.98   1.0   2.67   2.56) =   0.875%  kept
          HA1   GLY  109 - HN    TRP   49  16.30 +/- 1.82   0.003% *  0.0902% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  15.76 +/- 1.58   0.004% *  0.0419% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  17.06 +/- 0.68   0.002% *  0.0642% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  28.70 +/- 0.97   0.000% *  0.0319% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 2.27, residual support = 86.7:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.988% * 99.6863% (0.92  10.0   2.27  86.70) = 100.000%  kept
          HD2   HIS   22 - HE1   TRP   49  15.85 +/- 2.24   0.003% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HE1   TRP   49  14.48 +/- 2.48   0.007% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  16.87 +/- 1.62   0.002% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  26.07 +/- 1.54   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  30.16 +/- 2.15   0.000% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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   2.61 +/- 0.39  93.404% * 99.4349% (0.98  10.0   1.39   1.39) =  99.991%  kept
          HA    TRP   49 - HN    GLY   51   4.93 +/- 0.73   6.070% *  0.1265% (0.87   1.0   0.02   0.02) =   0.008%
          HA    ALA   47 - HN    GLY   51   7.75 +/- 1.41   0.511% *  0.0826% (0.57   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    GLY   51  13.54 +/- 2.47   0.008% *  0.1407% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  14.23 +/- 2.19   0.006% *  0.0654% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  20.67 +/- 1.81   0.001% *  0.1002% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  29.37 +/- 0.87   0.000% *  0.0497% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 2.93, residual support = 9.91:
      O   HA1   GLY   51 - HN    GLY   51   2.29 +/- 0.15  99.970% * 99.5416% (0.92  10.0   2.93   9.91) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51  10.93 +/- 0.73   0.013% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  10.90 +/- 1.33   0.012% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  15.87 +/- 1.85   0.001% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.63 +/- 1.06   0.002% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  16.79 +/- 1.94   0.001% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.57 +/- 1.70   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  25.69 +/- 0.90   0.000% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  30.43 +/- 1.16   0.000% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  39.39 +/- 3.06   0.000% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 6.17, residual support = 31.6:
        T HN    ARG+  54 - HN    CYS   53   2.58 +/- 0.13  99.995% * 99.1159% (0.98 10.00   6.17  31.60) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  13.91 +/- 0.58   0.004% *  0.7343% (0.73 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  23.87 +/- 1.22   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  30.32 +/- 0.97   0.000% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 6.17, residual support = 31.6:
        T HN    CYS   53 - HN    ARG+  54   2.58 +/- 0.13  99.992% * 99.6035% (0.85 10.00   6.17  31.60) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  13.91 +/- 0.58   0.004% *  0.1864% (0.16 10.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  16.12 +/- 1.18   0.002% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.64 +/- 1.18   0.000% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  20.29 +/- 0.92   0.000% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  20.09 +/- 0.54   0.000% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  26.76 +/- 1.07   0.000% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  22.39 +/- 1.15   0.000% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.318, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  12.02 +/- 0.96  69.580% *  4.3392% (0.10   0.02   0.02) =  44.108%  kept
          HN    TRP   87 - HN    ARG+  54  18.19 +/- 1.33   6.430% * 29.7440% (0.69   0.02   0.02) =  27.942%  kept
          HD21  ASN   69 - HN    ASP-  62  15.05 +/- 1.09  19.876% *  5.8573% (0.14   0.02   0.02) =  17.008%  kept
          HN    GLN   17 - HN    ARG+  54  21.81 +/- 1.18   2.000% * 23.1904% (0.54   0.02   0.02) =   6.775%  kept
          HD21  ASN   69 - HN    ARG+  54  26.33 +/- 1.10   0.651% * 31.3037% (0.72   0.02   0.02) =   2.976%  kept
          HN    TRP   87 - HN    ASP-  62  23.32 +/- 1.37   1.463% *  5.5654% (0.13   0.02   0.02) =   1.190%  kept
    Distance limit 3.77 A violated in 20 structures by 7.48 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.94, residual support = 18.6:
          HN    PHE   55 - HN    ILE   56   2.54 +/- 0.22  99.820% * 99.1170% (0.95   3.94  18.59) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.66 +/- 0.47   0.036% *  0.1642% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   7.98 +/- 0.33   0.122% *  0.0200% (0.04   0.02   5.30) =   0.000%
          HN    ALA   88 - HN    ILE   56  19.28 +/- 1.11   0.001% *  0.4615% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  12.42 +/- 4.49   0.020% *  0.0087% (0.02   0.02   1.53) =   0.000%
          HN    LEU   31 - HN    ILE   56  23.38 +/- 1.10   0.000% *  0.1997% (0.38   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  20.77 +/- 1.62   0.000% *  0.0218% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  21.60 +/- 2.75   0.000% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.19, residual support = 33.7:
          HN    ALA   57 - HN    ILE   56   3.04 +/- 0.72  99.877% * 99.0152% (0.87   5.19  33.75) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  13.65 +/- 2.89   0.066% *  0.3524% (0.80   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  18.32 +/- 1.55   0.006% *  0.3947% (0.90   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  15.05 +/- 1.47   0.010% *  0.1809% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  13.79 +/- 1.48   0.035% *  0.0171% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  20.32 +/- 2.08   0.003% *  0.0166% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  26.16 +/- 3.87   0.001% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  23.90 +/- 4.05   0.001% *  0.0079% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 1 structures by 0.27 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.05, residual support = 123.4:
      O   HA    ILE   56 - HN    ILE   56   2.85 +/- 0.21  99.367% * 95.8570% (0.15  10.0   5.05 123.40) =  99.997%  kept
          HA    PRO   58 - HN    ILE   56   7.65 +/- 0.47   0.316% *  0.5877% (0.95   1.0   0.02   0.02) =   0.002%
          HA    THR   46 - HN    ILE   56   7.96 +/- 1.04   0.256% *  0.4975% (0.80   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ILE   56  17.52 +/- 1.11   0.002% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  16.15 +/- 0.87   0.003% *  0.1229% (0.20   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  13.47 +/- 1.56   0.012% *  0.0216% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  22.65 +/- 1.04   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  22.35 +/- 0.87   0.000% *  0.5189% (0.84   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  12.96 +/- 4.42   0.034% *  0.0053% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  19.43 +/- 1.28   0.001% *  0.1383% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  17.58 +/- 4.82   0.004% *  0.0225% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  29.11 +/- 1.50   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  29.99 +/- 0.95   0.000% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  23.11 +/- 3.92   0.001% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  22.39 +/- 2.07   0.001% *  0.0255% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  22.30 +/- 3.52   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  23.28 +/- 4.72   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  28.77 +/- 4.32   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  20.41 +/- 2.00   0.001% *  0.0042% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  26.56 +/- 3.82   0.000% *  0.0060% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.19, residual support = 33.7:
          HN    ILE   56 - HN    ALA   57   3.04 +/- 0.72  99.126% * 98.5705% (0.98   5.19  33.75) =  99.997%  kept
          HN    LEU   63 - HN    ALA   57   8.61 +/- 0.73   0.642% *  0.3579% (0.92   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HN    ALA   57  10.55 +/- 2.10   0.224% *  0.3477% (0.90   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   57  19.53 +/- 1.01   0.003% *  0.3477% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  20.32 +/- 2.08   0.003% *  0.0679% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  22.36 +/- 1.25   0.001% *  0.1197% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  30.26 +/- 1.51   0.000% *  0.1887% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.25 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.22, residual support = 20.3:
        T HN    PHE   60 - HN    PHE   59   2.85 +/- 0.08  99.745% * 97.7864% (0.47 10.00   4.22  20.26) = 100.000%  kept
        T HN    THR  118 - HN    PHE   59  10.49 +/- 1.14   0.052% *  0.6051% (0.29 10.00   0.02  10.48) =   0.000%
          HN    GLN  116 - HN    PHE   59   8.49 +/- 0.91   0.203% *  0.0282% (0.14  1.00   0.02   0.65) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  20.34 +/- 1.10   0.001% *  1.5803% (0.76 10.00   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.259, support = 4.79, residual support = 56.8:
      O   HA    PHE   59 - HN    PHE   59   2.74 +/- 0.03  74.918% * 86.5230% (0.24  10.0   4.97  58.51) =  95.423%  kept
          HA    ILE   56 - HN    PHE   59   3.80 +/- 1.30  25.058% * 12.4090% (0.69   1.0   0.99  20.23) =   4.577%  kept
          HA    ASP- 113 - HN    PHE   59  11.24 +/- 0.91   0.019% *  0.2514% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  14.34 +/- 1.15   0.004% *  0.2245% (0.62   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  20.09 +/- 1.12   0.001% *  0.2778% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  18.96 +/- 0.96   0.001% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  25.38 +/- 0.97   0.000% *  0.2588% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.47, residual support = 24.3:
      O   HA    ALA   57 - HN    ALA   57   2.73 +/- 0.18  99.909% * 99.2309% (0.76  10.0   4.47  24.30) = 100.000%  kept
          HA1   GLY   51 - HN    ALA   57  10.49 +/- 1.17   0.046% *  0.1273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  10.40 +/- 1.24   0.039% *  0.0683% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  14.94 +/- 0.98   0.004% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  19.33 +/- 1.39   0.001% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.65 +/- 1.33   0.001% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  23.18 +/- 1.21   0.000% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  21.75 +/- 1.00   0.000% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  33.23 +/- 1.93   0.000% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 33.7:
      O   HA    ILE   56 - HN    ALA   57   3.12 +/- 0.30  93.065% * 90.9766% (0.99  10.0   4.64  33.75) =  99.303%  kept
          HA    PRO   58 - HN    ALA   57   4.92 +/- 0.21   6.901% *  8.6062% (0.34   1.0   5.50  24.28) =   0.697%  kept
          HA    ASP- 113 - HN    ALA   57  12.71 +/- 0.78   0.026% *  0.0520% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  17.69 +/- 1.08   0.003% *  0.0916% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.11 +/- 1.46   0.001% *  0.0823% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  21.01 +/- 1.23   0.001% *  0.0447% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  20.44 +/- 1.19   0.001% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  26.97 +/- 1.29   0.000% *  0.0900% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  26.85 +/- 1.56   0.000% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 5.23, residual support = 41.9:
        T HN    PHE   60 - HN    ALA   61   2.69 +/- 0.17  99.973% * 97.7864% (0.61 10.00   5.23  41.90) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  12.91 +/- 0.83   0.010% *  0.6051% (0.38 10.00   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  16.20 +/- 1.14   0.002% *  1.5803% (0.98 10.00   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  11.94 +/- 0.92   0.015% *  0.0282% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.547, support = 4.51, residual support = 35.4:
          QD    PHE   60 - HN    ALA   61   3.55 +/- 0.63  72.269% * 49.1984% (0.57   4.77  41.90) =  84.427%  kept
          HN    PHE   59 - HN    ALA   61   4.44 +/- 0.25  24.719% * 24.2620% (0.41   3.24   0.46) =  14.241%  kept
          QE    PHE   59 - HN    ALA   61   6.86 +/- 0.78   2.138% * 26.0914% (0.80   1.79   0.46) =   1.324%  kept
          HN    LYS+  66 - HN    ALA   61   7.66 +/- 0.43   0.872% *  0.3573% (0.98   0.02   0.02) =   0.007%
          HN    LYS+  81 - HN    ALA   61  20.73 +/- 1.07   0.002% *  0.0909% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 1.02, residual support = 1.02:
          HA    PRO   58 - HN    ALA   61   3.35 +/- 0.18  98.364% * 89.7082% (0.97   1.02   1.02) =  99.986%  kept
          HA    ILE   56 - HN    ALA   61   7.28 +/- 0.75   1.274% *  0.7485% (0.41   0.02   0.02) =   0.011%
          HA    GLN   17 - HN    ALA   61   9.56 +/- 0.97   0.216% *  0.6833% (0.38   0.02   0.02) =   0.002%
          HA    THR   46 - HN    ALA   61  10.67 +/- 0.49   0.103% *  0.8163% (0.45   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ALA   61  14.84 +/- 0.93   0.014% *  1.7223% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   61  14.64 +/- 0.99   0.016% *  0.9579% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  16.95 +/- 0.76   0.006% *  1.8207% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  21.30 +/- 1.43   0.002% *  1.7223% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  18.47 +/- 0.94   0.004% *  0.4540% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  22.83 +/- 0.75   0.001% *  0.6833% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  23.28 +/- 0.69   0.001% *  0.6833% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 2.0, residual support = 1.94:
          HA    ALA   57 - HN    ALA   61   4.79 +/- 0.78  95.763% * 84.4583% (0.41   2.00   1.94) =  99.908%  kept
          HA    ASP-  44 - HN    ALA   61   9.27 +/- 0.73   3.724% *  1.7827% (0.87   0.02   0.02) =   0.082%
          HA1   GLY   51 - HN    ALA   61  15.52 +/- 1.28   0.200% *  1.4924% (0.73   0.02   0.02) =   0.004%
          HB    THR   77 - HN    ALA   61  16.62 +/- 0.76   0.092% *  1.8972% (0.92   0.02   0.02) =   0.002%
          HA    ILE  103 - HN    ALA   61  18.55 +/- 0.75   0.046% *  2.0145% (0.98   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   61  19.43 +/- 1.19   0.044% *  1.8432% (0.90   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ALA   61  18.40 +/- 0.75   0.047% *  1.7166% (0.84   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ALA   61  23.51 +/- 0.69   0.010% *  1.8972% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  17.99 +/- 1.40   0.053% *  0.3171% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  27.77 +/- 1.85   0.004% *  1.7166% (0.84   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  24.47 +/- 1.90   0.008% *  0.4576% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  24.61 +/- 1.14   0.008% *  0.4067% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 5 structures by 0.53 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 42.5:
        T HN    ASP-  62 - HN    LEU   63   2.60 +/- 0.09  99.989% * 99.7221% (0.98 10.00   5.85  42.46) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  14.36 +/- 0.59   0.004% *  0.0939% (0.92  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  13.13 +/- 0.73   0.007% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  18.92 +/- 0.73   0.001% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  20.47 +/- 0.80   0.000% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 6.83, residual support = 53.5:
        T HN    ALA   64 - HN    LEU   63   2.68 +/- 0.13 100.000% *100.0000% (0.97 10.00   6.83  53.54) = 100.000%  kept
    Distance limit 3.31 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 = 4.27, residual support = 26.8:
        T HN    LYS+  65 - HN    ALA   64   2.59 +/- 0.12 100.000% *100.0000% (0.97 10.00   4.27  26.80) = 100.000%  kept
    Distance limit 3.49 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 = 6.83, residual support = 53.5:
          HN    LEU   63 - HN    ALA   64   2.68 +/- 0.13  99.984% * 99.0055% (0.99   6.83  53.54) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  12.44 +/- 0.70   0.011% *  0.2768% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  15.94 +/- 2.31   0.003% *  0.1775% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  19.54 +/- 0.98   0.001% *  0.1775% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  20.24 +/- 3.50   0.001% *  0.1203% (0.41   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  21.97 +/- 1.47   0.000% *  0.1775% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  23.83 +/- 0.96   0.000% *  0.0651% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 4.27, residual support = 26.8:
        T HN    ALA   64 - HN    LYS+  65   2.59 +/- 0.12 100.000% *100.0000% (0.67 10.00   4.27  26.80) = 100.000%  kept
    Distance limit 3.37 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 = 6.17, residual support = 25.7:
          HN    LYS+  66 - HN    LYS+  65   2.56 +/- 0.14  99.359% * 99.3346% (0.68   6.17  25.68) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.44 +/- 0.64   0.522% *  0.1858% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   9.01 +/- 0.65   0.057% *  0.2628% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.85 +/- 0.31   0.062% *  0.1349% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  24.44 +/- 0.96   0.000% *  0.0818% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 3.22:
          HA    ASP-  62 - HN    LYS+  65   3.44 +/- 0.17  99.986% * 95.0307% (0.67   0.75   3.22) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.84 +/- 0.76   0.012% *  1.9068% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  20.46 +/- 1.22   0.003% *  2.6026% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  27.68 +/- 1.12   0.000% *  0.4599% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 6.17, residual support = 25.7:
        T HN    LYS+  65 - HN    LYS+  66   2.56 +/- 0.14 100.000% *100.0000% (0.97 10.00   6.17  25.68) = 100.000%  kept
    Distance limit 3.15 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 = 4.99, residual support = 114.0:
      O   HA    LYS+  66 - HN    LYS+  66   2.89 +/- 0.03  99.999% * 99.9389% (0.97  10.0   4.99 114.00) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  22.54 +/- 0.60   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  26.11 +/- 0.92   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 2.96, residual support = 52.4:
          HD22  ASN   28 - HE3   TRP   27   4.70 +/- 0.29  99.987% * 94.8992% (0.08   2.96  52.40) =  99.999%  kept
          HD22  ASN   28 - HN    LEU   67  21.16 +/- 0.52   0.013% *  5.1008% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 0 structures by 0.37 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.88, residual support = 59.0:
      O   HA    LEU   67 - HN    LEU   67   2.68 +/- 0.29  99.914% * 99.9623% (1.00  10.0   5.88  58.98) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27   9.63 +/- 1.34   0.084% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.26 +/- 0.50   0.001% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  18.02 +/- 1.88   0.001% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (4.08, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.47, residual support = 10.1:
      O   HA    LYS+  66 - HN    LEU   67   3.57 +/- 0.06  99.863% * 99.9186% (0.97  10.0   4.47  10.11) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  12.28 +/- 2.98   0.118% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  20.44 +/- 0.72   0.003% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  16.80 +/- 2.00   0.012% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  21.05 +/- 1.18   0.003% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  26.06 +/- 0.85   0.001% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.3:
        T HN    VAL   70 - HN    ASN   69   2.57 +/- 0.67  99.994% * 99.9644% (0.87 10.00   5.26  26.26) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  15.49 +/- 1.00   0.006% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 5.38, residual support = 59.6:
      O   HA    ASN   69 - HN    ASN   69   2.77 +/- 0.22  99.994% * 99.8231% (0.76  10.0   5.38  59.64) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  14.31 +/- 0.71   0.006% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  21.99 +/- 1.00   0.000% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.25, residual support = 59.6:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00 100.000% * 99.9103% (0.52  10.0 10.00   3.25  59.64) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.61 +/- 1.30   0.000% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  29.52 +/- 1.16   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 = 3.25, residual support = 59.6:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.999% * 99.7566% (0.52  10.0   3.25  59.64) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  12.26 +/- 1.45   0.001% *  0.1078% (0.56   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  28.05 +/- 3.22   0.000% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  25.78 +/- 4.37   0.000% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.9, residual support = 39.3:
          QE    PHE   72 - HN    VAL   70   3.48 +/- 0.61  99.993% * 97.7476% (0.45   1.90  39.31) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  18.78 +/- 0.68   0.007% *  2.2524% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.03 A, kept.
 
    Peak 429 (8.83, 7.98, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.3:
        T HN    ASN   69 - HN    VAL   70   2.57 +/- 0.67  99.983% * 99.9392% (0.87 10.00   5.26  26.26) = 100.000%  kept
          HN    GLY  101 - HN    VAL   70  13.45 +/- 1.10   0.014% *  0.0287% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  18.09 +/- 1.00   0.002% *  0.0320% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.08 A, kept.
 
    Peak 430 (4.73, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.07, residual support = 1.07:
          HA    PRO   68 - HN    VAL   70   4.26 +/- 0.42 100.000% *100.0000% (0.99   1.07   1.07) = 100.000%  kept
    Distance limit 4.19 A violated in 0 structures by 0.21 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 81.5:
      O   HA    VAL   70 - HN    VAL   70   2.92 +/- 0.02  99.673% * 99.2525% (0.84  10.0   3.89  81.50) = 100.000%  kept
          HA    VAL   18 - HN    VAL   70   8.80 +/- 0.91   0.175% *  0.1147% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   70   9.33 +/- 1.14   0.128% *  0.0235% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  13.55 +/- 1.24   0.012% *  0.1186% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  16.06 +/- 1.75   0.005% *  0.0993% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  17.72 +/- 0.98   0.002% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   70  15.72 +/- 0.97   0.004% *  0.0367% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   70  24.45 +/- 0.95   0.000% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  27.65 +/- 2.11   0.000% *  0.1097% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  28.61 +/- 1.78   0.000% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  25.47 +/- 0.75   0.000% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 138.7:
      O   HA    LEU   71 - HN    LEU   71   2.89 +/- 0.01  99.859% * 99.9402% (1.00  10.0   6.64 138.72) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   8.83 +/- 0.46   0.129% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  13.09 +/- 0.48   0.012% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 5.33, residual support = 32.7:
      O   HA    VAL   70 - HN    LEU   71   2.27 +/- 0.02  99.726% * 99.5202% (1.00  10.0   5.33  32.68) = 100.000%  kept
          HB2   SER   37 - HN    LEU   71   7.80 +/- 0.67   0.072% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   71   8.43 +/- 0.62   0.042% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LEU   71   8.88 +/- 1.74   0.144% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71  10.46 +/- 0.82   0.012% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  13.89 +/- 0.75   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  17.01 +/- 1.88   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  24.18 +/- 2.42   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  23.05 +/- 0.69   0.000% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.3, residual support = 4.34:
          HA    VAL   41 - HN    LEU   71   4.17 +/- 0.57  99.569% * 98.7920% (1.00   2.30   4.34) =  99.997%  kept
          HA    HIS  122 - HN    LEU   71  11.14 +/- 1.62   0.370% *  0.7200% (0.84   0.02   0.02) =   0.003%
          HA    PHE   45 - HN    LEU   71  14.94 +/- 0.33   0.061% *  0.4880% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 3 structures by 0.33 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 3.03, residual support = 5.21:
          HN    VAL   42 - HN    LEU   71   4.41 +/- 0.39  92.070% * 83.9252% (0.61   3.06   5.27) =  98.842%  kept
          HN    LEU   73 - HN    LEU   71   7.05 +/- 0.23   5.840% * 15.1877% (0.61   0.55   0.02) =   1.135%  kept
          HN    ILE   19 - HN    LEU   71   8.48 +/- 0.46   2.089% *  0.8871% (0.98   0.02   0.02) =   0.024%
    Distance limit 4.44 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 = 5.54, residual support = 90.4:
          QD    PHE   72 - HN    PHE   72   2.76 +/- 0.38  99.923% * 98.9061% (0.45   5.54  90.36) = 100.000%  kept
          HD22  ASN   69 - HN    PHE   72  10.50 +/- 0.83   0.048% *  0.5785% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  11.41 +/- 0.39   0.028% *  0.5154% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.14, residual support = 90.4:
      O   HA    PHE   72 - HN    PHE   72   2.93 +/- 0.00 100.000% *100.0000% (0.53  10.0   5.14  90.36) = 100.000%  kept
    Distance limit 4.11 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 = 5.41, residual support = 20.1:
      O   HA    LEU   71 - HN    PHE   72   2.21 +/- 0.03  99.907% * 99.9402% (1.00  10.0   5.41  20.12) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   7.59 +/- 0.56   0.069% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   8.95 +/- 0.56   0.025% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.489, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  15.63 +/- 0.96  17.370% * 29.8815% (0.73   0.02   0.02) =  40.510%  kept
          HA    PHE   45 - HN    PHE   72  12.62 +/- 0.35  59.939% *  7.2068% (0.18   0.02   0.02) =  33.714%  kept
          HB    THR   23 - HN    PHE   72  16.17 +/- 0.60  13.675% *  9.1616% (0.22   0.02   0.02) =   9.778%  kept
          HA    ASP-  78 - HN    PHE   72  20.73 +/- 0.24   3.054% * 39.7133% (0.97   0.02   0.02) =   9.465%  kept
          HA    LEU   80 - HN    PHE   72  18.81 +/- 1.53   5.962% * 14.0368% (0.34   0.02   0.02) =   6.532%  kept
    Distance limit 4.32 A violated in 20 structures by 7.25 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 1.16, residual support = 1.9:
          QE    PHE   60 - HN    LEU   73   4.16 +/- 1.12  97.581% * 91.2902% (0.49   1.16   1.90) =  99.945%  kept
          HN    LEU   63 - HN    LEU   73   9.96 +/- 0.85   1.396% *  1.3306% (0.41   0.02   0.02) =   0.021%
          HD21  ASN   28 - HN    LEU   73  11.40 +/- 1.21   0.503% *  3.1724% (0.98   0.02   1.12) =   0.018%
          HZ2   TRP   87 - HN    LEU   73  13.53 +/- 3.63   0.425% *  3.2079% (0.99   0.02   0.02) =   0.015%
          HN    ILE   56 - HN    LEU   73  15.02 +/- 0.88   0.096% *  0.9989% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.43 A violated in 5 structures by 0.37 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.34, residual support = 170.8:
      O   HA    LEU   73 - HN    LEU   73   2.92 +/- 0.01 100.000% *100.0000% (0.95  10.0   6.34 170.80) = 100.000%  kept
    Distance limit 3.75 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 = 39.6:
      O   HA    PHE   72 - HN    LEU   73   2.23 +/- 0.04 100.000% *100.0000% (0.53  10.0   5.16  39.64) = 100.000%  kept
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (4.66, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.534, support = 3.69, residual support = 7.71:
          HA    VAL   43 - HN    LEU   73   3.60 +/- 0.61  92.387% * 69.2998% (0.53   3.75   7.90) =  97.579%  kept
          HA    LEU   71 - HN    LEU   73   6.07 +/- 0.18   5.239% * 30.2709% (0.84   1.03   0.02) =   2.417%  kept
          HA    ALA   20 - HN    LEU   73   7.22 +/- 0.48   2.101% *  0.0950% (0.14   0.02   0.02) =   0.003%
          HA    HIS   22 - HN    LEU   73  10.84 +/- 0.92   0.182% *  0.1390% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    LEU   73  11.94 +/- 0.31   0.091% *  0.1953% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 3.95, residual support = 10.3:
        T HN    CYS   21 - HN    LYS+  74   2.69 +/- 0.44  99.988% * 95.8247% (0.12 10.00   3.95  10.26) = 100.000%  kept
        T HN    ILE  119 - HN    LYS+  74  18.20 +/- 0.85   0.002% *  3.0978% (0.40 10.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  16.24 +/- 0.75   0.004% *  0.5176% (0.67  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  16.65 +/- 1.57   0.004% *  0.4381% (0.57  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  16.97 +/- 0.66   0.003% *  0.1218% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.563, support = 3.94, residual support = 15.6:
        T HN    ILE   19 - HN    LYS+  74   4.27 +/- 0.63  55.714% * 72.7977% (0.54 10.00   3.25   8.39) =  77.528%  kept
          HN    LEU   73 - HN    LYS+  74   4.40 +/- 0.06  43.380% * 27.0980% (0.64  1.00   6.34  40.40) =  22.470%  kept
          HN    VAL   42 - HN    LYS+  74   8.48 +/- 0.35   0.895% *  0.0854% (0.64  1.00   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HN    LYS+  74  17.60 +/- 0.30   0.011% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 5.58, residual support = 40.4:
      O   HA    LEU   73 - HN    LYS+  74   2.31 +/- 0.10 100.000% *100.0000% (0.68  10.0   5.58  40.40) = 100.000%  kept
    Distance limit 2.94 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 = 6.09, residual support = 187.4:
      O   HA    LYS+  74 - HN    LYS+  74   2.93 +/- 0.00  99.935% * 99.4309% (0.20  10.0   6.09 187.42) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74  10.19 +/- 0.42   0.059% *  0.0708% (0.14   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  15.80 +/- 0.68   0.004% *  0.3102% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  18.76 +/- 1.25   0.002% *  0.1882% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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   3.14 +/- 0.44  99.771% * 99.7090% (0.68   3.74   8.19) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   9.11 +/- 0.20   0.229% *  0.2910% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.03, residual support = 31.9:
      O   HA    LYS+  74 - HN    VAL   75   2.23 +/- 0.03  99.994% * 99.7992% (0.61  10.0   6.03  31.88) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  11.54 +/- 0.69   0.006% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  19.37 +/- 1.25   0.000% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.75, residual support = 36.1:
      O   HA    ASP-  76 - HN    ASP-  76   2.87 +/- 0.03  99.999% * 99.5538% (0.22  10.0   3.75  36.10) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  20.32 +/- 1.39   0.001% *  0.4462% (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 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 15.3:
      O   HA    VAL  107 - HN    VAL  108   2.20 +/- 0.01  99.948% * 99.5919% (0.65  10.0   3.97  15.34) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   8.25 +/- 1.10   0.047% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  13.30 +/- 1.14   0.002% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  13.68 +/- 2.03   0.002% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  20.11 +/- 0.83   0.000% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.36, residual support = 28.3:
        T HN    ASP-  78 - HN    THR   77   2.75 +/- 0.08  98.797% * 99.9203% (0.98 10.00   5.36  28.32) =  99.999%  kept
          HN    VAL   75 - HN    THR   77   5.76 +/- 0.21   1.202% *  0.0618% (0.61  1.00   0.02   0.34) =   0.001%
          HN    LYS+ 112 - HN    THR   77  19.18 +/- 1.15   0.001% *  0.0179% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (9.28, 8.52, 119.25 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 5.36, residual support = 28.3:
        T HN    THR   77 - HN    ASP-  78   2.75 +/- 0.08 100.000% *100.0000% (1.00 10.00   5.36  28.32) = 100.000%  kept
    Distance limit 3.64 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 = 3.79, residual support = 15.3:
        T HN    GLU-  79 - HN    ASP-  78   2.40 +/- 0.08  99.985% * 99.9158% (0.99 10.00   3.79  15.26) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  10.74 +/- 1.23   0.015% *  0.0842% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 3.79, residual support = 15.3:
        T HN    ASP-  78 - HN    GLU-  79   2.40 +/- 0.08  99.931% * 99.9001% (0.56 10.00   3.79  15.26) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   8.10 +/- 0.36   0.069% *  0.0999% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (4.27, 8.02, 121.50 ppm):
    9 chemical-shift based assignments, quality = 0.604, support = 4.27, residual support = 53.6:
      O   HA    GLU-  79 - HN    GLU-  79   2.80 +/- 0.16  98.381% * 99.4285% (0.60  10.0   4.27  53.61) =  99.999%  kept
          HB    THR   77 - HN    GLU-  79   5.67 +/- 0.22   1.574% *  0.0608% (0.37   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  11.64 +/- 0.38   0.020% *  0.0608% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  12.43 +/- 0.74   0.014% *  0.0528% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  15.45 +/- 1.93   0.005% *  0.0983% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  15.34 +/- 1.66   0.004% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  22.48 +/- 1.35   0.000% *  0.0728% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  25.20 +/- 0.62   0.000% *  0.1003% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  31.99 +/- 3.54   0.000% *  0.0488% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 3.82, residual support = 15.3:
      O   HA    ASP-  78 - HN    GLU-  79   3.56 +/- 0.05  99.185% * 98.7485% (0.08  10.0   3.82  15.26) =  99.994%  kept
          HA    PHE   45 - HN    GLU-  79   8.15 +/- 0.80   0.811% *  0.7232% (0.60   1.0   0.02   0.02) =   0.006%
          HA    VAL   41 - HN    GLU-  79  19.04 +/- 0.58   0.004% *  0.3839% (0.32   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  27.17 +/- 1.30   0.001% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.56 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   2.28 +/- 0.03 100.000% * 99.8354% (0.53  10.0   4.53  10.86) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  21.82 +/- 1.25   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 3.83:
          HA    ALA   47 - HN    THR   77   3.82 +/- 1.00  96.469% * 88.9832% (0.57   1.22   3.83) =  99.907%  kept
          HA    CYS   50 - HN    THR   77   9.20 +/- 1.53   1.907% *  2.5177% (0.98   0.02   0.02) =   0.056%
          HA    TRP   49 - HN    THR   77   9.86 +/- 0.52   0.741% *  2.2281% (0.87   0.02   0.02) =   0.019%
          HA    CYS   21 - HN    THR   77  10.96 +/- 0.64   0.751% *  1.7644% (0.69   0.02   0.02) =   0.015%
          HA    VAL  108 - HN    THR   77  13.55 +/- 1.88   0.088% *  1.1516% (0.45   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    THR   77  15.87 +/- 1.69   0.039% *  2.4789% (0.97   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HN    THR   77  22.69 +/- 1.51   0.005% *  0.8762% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 1 structures by 0.21 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.248, support = 1.22, residual support = 12.0:
          HA    THR   46 - HN    THR   77   5.02 +/- 0.80  90.747% * 80.8928% (0.25   1.22  12.02) =  99.541%  kept
          HA    GLN   90 - HN    THR   77   8.13 +/- 1.29   8.558% *  3.6405% (0.69   0.02   0.02) =   0.422%
          HA    PHE   55 - HN    THR   77  15.16 +/- 1.79   0.265% *  4.5973% (0.87   0.02   0.02) =   0.017%
          HA    VAL   42 - HN    THR   77  14.73 +/- 0.39   0.186% *  4.5973% (0.87   0.02   0.02) =   0.012%
          HA    ALA  110 - HN    THR   77  15.00 +/- 2.70   0.169% *  3.0006% (0.57   0.02   0.02) =   0.007%
          HA    GLN   17 - HN    THR   77  18.15 +/- 0.78   0.066% *  1.6358% (0.31   0.02   0.02) =   0.001%
          HA    SER   37 - HN    THR   77  26.66 +/- 0.79   0.007% *  1.6358% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 6 structures by 0.80 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.03, residual support = 37.8:
      O   HB    THR   77 - HN    THR   77   3.48 +/- 0.02  97.820% * 99.1602% (0.76  10.0   4.03  37.76) =  99.999%  kept
          HA    GLU-  79 - HN    THR   77   6.96 +/- 0.31   1.640% *  0.0361% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   77   9.01 +/- 0.56   0.349% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   77  11.31 +/- 0.80   0.091% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  13.55 +/- 0.87   0.030% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  12.80 +/- 1.62   0.062% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  19.83 +/- 1.25   0.003% *  0.0839% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  23.86 +/- 1.38   0.001% *  0.0942% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  22.91 +/- 1.08   0.001% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  29.52 +/- 2.60   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  23.48 +/- 0.36   0.001% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  32.36 +/- 3.01   0.000% *  0.1126% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 5.12, residual support = 31.6:
        T HN    LEU   80 - HN    LYS+  81   3.47 +/- 0.27  97.284% * 98.5772% (0.65 10.00   5.12  31.57) =  99.998%  kept
          HN    SER   85 - HN    LYS+  81   6.44 +/- 0.29   2.698% *  0.0683% (0.45  1.00   0.02   0.02) =   0.002%
        T HN    ALA   34 - HN    LYS+  81  21.70 +/- 1.99   0.002% *  1.1646% (0.76 10.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  16.47 +/- 1.54   0.012% *  0.0626% (0.41  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    LYS+  81  19.27 +/- 2.37   0.004% *  0.1273% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 19.1:
        T HN    SER   82 - HN    LYS+  81   2.75 +/- 0.12  99.954% * 99.8569% (1.00 10.00   4.49  19.14) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81  10.48 +/- 1.27   0.045% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  25.23 +/- 1.11   0.000% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  24.10 +/- 2.50   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  27.86 +/- 1.43   0.000% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 5.16, residual support = 31.6:
      O   HA    LEU   80 - HN    LYS+  81   2.65 +/- 0.14  95.420% * 99.6041% (0.69  10.0   5.16  31.57) =  99.993%  kept
          HA    ASP-  78 - HN    LYS+  81   4.84 +/- 0.66   4.247% *  0.1372% (0.95   1.0   0.02   1.02) =   0.006%
          HA    THR   23 - HN    LYS+  81   7.87 +/- 1.93   0.265% *  0.1421% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+  81   9.81 +/- 2.08   0.067% *  0.0763% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  25.08 +/- 1.91   0.000% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 5.31, residual support = 106.8:
      O   HA    LYS+  81 - HN    LYS+  81   2.74 +/- 0.04  99.993% * 99.7055% (0.99  10.0   5.31 106.82) = 100.000%  kept
          HA    ARG+  54 - HN    LYS+  81  18.08 +/- 2.17   0.002% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  81  14.97 +/- 2.30   0.005% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  27.73 +/- 2.22   0.000% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  23.69 +/- 1.31   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  35.24 +/- 1.58   0.000% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 4.2, residual support = 34.8:
      O   HA    SER   82 - HN    SER   82   2.78 +/- 0.04  99.972% * 98.7108% (0.25  10.0   4.20  34.83) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  12.38 +/- 3.03   0.020% *  0.3170% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  14.94 +/- 2.65   0.006% *  0.1486% (0.38   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  18.51 +/- 1.42   0.001% *  0.3880% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  19.13 +/- 1.55   0.001% *  0.3820% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  27.56 +/- 1.53   0.000% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.201, support = 0.02, residual support = 0.02:
          HB    THR   23 - HN    SER   82  10.15 +/- 2.63  99.206% * 32.4951% (0.20   0.02   0.02) =  98.365%  kept
          HA    ASP- 105 - HN    SER   82  24.93 +/- 2.53   0.794% * 67.5049% (0.41   0.02   0.02) =   1.635%  kept
    Distance limit 4.20 A violated in 20 structures by 5.94 A, eliminated.
    Peak unassigned.
 
    Peak 471 (6.59, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 19.9:
        T HN    VAL   83 - HN    SER   82   2.68 +/- 0.11  99.996% * 99.9274% (1.00 10.00   5.62  19.88) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  15.70 +/- 1.97   0.004% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 4.49, residual support = 19.1:
          HN    LYS+  81 - HN    SER   82   2.75 +/- 0.12  99.953% * 99.3318% (1.00   4.49  19.14) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  11.75 +/- 3.76   0.044% *  0.0987% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  17.24 +/- 0.92   0.002% *  0.3550% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  21.76 +/- 1.75   0.001% *  0.0776% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  27.48 +/- 1.18   0.000% *  0.1368% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 473 (7.58, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 7.6, residual support = 42.7:
        T HN    ALA   84 - HN    VAL   83   2.59 +/- 0.06  99.999% * 99.6823% (0.75 10.00   7.60  42.69) = 100.000%  kept
          HE21  GLN   32 - HN    VAL   83  21.25 +/- 3.44   0.000% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  22.28 +/- 2.85   0.000% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  20.31 +/- 1.12   0.000% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  23.31 +/- 1.82   0.000% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (8.64, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.755, support = 5.62, residual support = 19.9:
        T HN    SER   82 - HN    VAL   83   2.68 +/- 0.11  99.955% * 99.8569% (0.75 10.00   5.62  19.88) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83  10.09 +/- 1.05   0.044% *  0.0375% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  20.89 +/- 3.63   0.001% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  25.14 +/- 2.31   0.000% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  26.89 +/- 2.27   0.000% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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   2.73 +/- 0.10  99.980% * 99.8725% (0.99 10.00   3.77  20.72) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  11.93 +/- 1.42   0.018% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  18.46 +/- 3.09   0.001% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  20.77 +/- 2.83   0.001% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.6, residual support = 42.7:
        T HN    VAL   83 - HN    ALA   84   2.59 +/- 0.06  99.992% * 99.9274% (1.00 10.00   7.60  42.69) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  14.04 +/- 1.69   0.008% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 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   3.24 +/- 0.22  99.966% * 95.7053% (0.80   2.26   5.56) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  13.97 +/- 2.96   0.024% *  0.5138% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  17.95 +/- 1.84   0.006% *  1.0187% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  21.29 +/- 1.91   0.001% *  0.4732% (0.45   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  22.65 +/- 2.73   0.001% *  0.3258% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  26.81 +/- 2.99   0.000% *  0.7251% (0.69   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  22.75 +/- 3.59   0.001% *  0.1849% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  33.22 +/- 2.13   0.000% *  1.0532% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.446, support = 0.0199, residual support = 0.0199:
          HA    GLU-  25 - HN    VAL   83  11.45 +/- 3.10  67.759% * 13.1508% (0.34   0.02   0.02) =  55.879%  kept
          HA    THR   26 - HN    VAL   83  14.07 +/- 2.85  17.852% * 21.2999% (0.55   0.02   0.02) =  23.845%  kept
          HA    CYS   53 - HN    VAL   83  17.86 +/- 1.38   8.503% * 27.0775% (0.70   0.02   0.02) =  14.438%  kept
          HA    ILE   19 - HN    VAL   83  18.33 +/- 1.98   3.738% * 20.1488% (0.52   0.02   0.02) =   4.723%  kept
          HA1   GLY  101 - HN    VAL   83  22.29 +/- 4.03   1.588% *  7.3142% (0.19   0.02   0.02) =   0.729%  kept
          HA    GLU- 114 - HN    VAL   83  25.89 +/- 2.09   0.560% * 11.0089% (0.28   0.02   0.02) =   0.387%
    Distance limit 4.20 A violated in 20 structures by 6.28 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   4.23 +/- 0.12  80.315% * 99.5391% (0.58 10.00   2.60   5.20) =  99.989%  kept
          HN    LEU   80 - HN    VAL   83   5.39 +/- 0.21  19.628% *  0.0444% (0.26  1.00   0.02   0.02) =   0.011%
        T HN    CYS   53 - HN    VAL   83  17.74 +/- 1.38   0.017% *  0.2281% (0.13 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    VAL   83  17.09 +/- 3.69   0.029% *  0.1300% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  19.75 +/- 3.39   0.011% *  0.0584% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.34, residual support = 11.0:
          HN    SER   82 - HN    ALA   84   3.81 +/- 0.11  97.574% * 99.2491% (0.87   4.34  11.01) =  99.991%  kept
          HN    GLN   90 - HN    ALA   84   7.56 +/- 1.10   2.419% *  0.3625% (0.69   0.02   0.02) =   0.009%
          HN    ILE  103 - HN    ALA   84  20.75 +/- 3.21   0.006% *  0.2568% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  25.46 +/- 1.97   0.001% *  0.1316% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.41 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   2.50 +/- 0.11  99.998% * 97.4563% (0.80   3.33  13.43) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  18.13 +/- 2.88   0.001% *  0.6335% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  17.37 +/- 2.89   0.001% *  0.2741% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  23.38 +/- 2.95   0.000% *  0.4724% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  26.00 +/- 2.75   0.000% *  0.5303% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  31.33 +/- 2.52   0.000% *  0.6335% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.30 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   2.73 +/- 0.10  99.823% * 97.8189% (0.90   3.77  20.72) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85   8.25 +/- 0.75   0.160% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  13.23 +/- 3.14   0.016% *  0.1785% (0.31   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  19.94 +/- 1.11   0.001% *  0.5670% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  20.99 +/- 2.39   0.001% *  0.5188% (0.90   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  24.43 +/- 1.36   0.000% *  0.5340% (0.92   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  24.48 +/- 3.18   0.000% *  0.2816% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.29 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   4.23 +/- 0.12  99.843% * 99.9526% (0.87 10.00   2.60   5.20) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  15.26 +/- 1.91   0.157% *  0.0474% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.17 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   2.80 +/- 0.04  96.439% * 99.3023% (0.99  10.0   3.65  18.14) =  99.998%  kept
          HA    ASP-  86 - HN    SER   85   4.97 +/- 0.10   3.154% *  0.0449% (0.45   1.0   0.02  13.43) =   0.001%
          HB    THR   77 - HN    SER   85   7.43 +/- 1.16   0.355% *  0.0993% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    SER   85  10.15 +/- 0.33   0.044% *  0.0608% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  14.84 +/- 1.58   0.005% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  21.02 +/- 3.10   0.001% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  18.67 +/- 2.01   0.002% *  0.0412% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.35 +/- 1.35   0.001% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  27.40 +/- 2.53   0.000% *  0.0527% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  38.15 +/- 4.42   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  30.74 +/- 2.16   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  35.71 +/- 3.52   0.000% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.569, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  17.92 +/- 2.47  10.900% * 23.1039% (0.98   0.02   0.02) =  28.117%  kept
          HA    CYS   53 - HN    SER   85  17.27 +/- 1.17  17.253% * 14.2963% (0.61   0.02   0.02) =  27.540%  kept
          HA    ASN   28 - HN    SER   85  15.71 +/- 3.19  27.556% *  5.2476% (0.22   0.02   0.02) =  16.145%  kept
          HA    GLU-  25 - HN    SER   85  15.18 +/- 2.76  32.037% *  4.1279% (0.18   0.02   0.02) =  14.766%  kept
          HA1   GLY  101 - HN    SER   85  23.86 +/- 3.71   2.492% * 13.3446% (0.57   0.02   0.02) =   3.713%  kept
          HA    ILE   19 - HN    SER   85  21.39 +/- 1.59   3.584% *  8.0401% (0.34   0.02   0.02) =   3.217%  kept
          HA    GLU- 114 - HN    SER   85  24.95 +/- 1.81   1.526% * 17.1158% (0.73   0.02   0.02) =   2.915%  kept
          HA    LEU  115 - HN    SER   85  22.48 +/- 1.76   3.049% *  5.8774% (0.25   0.02   0.02) =   2.001%  kept
          HA    ALA   34 - HN    SER   85  24.59 +/- 2.88   1.604% *  8.8463% (0.38   0.02   0.02) =   1.585%  kept
    Distance limit 3.76 A violated in 20 structures by 8.46 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   2.50 +/- 0.11  99.994% * 99.7141% (0.99 10.00   3.33  13.43) = 100.000%  kept
          HN    THR   94 - HN    ASP-  86  13.38 +/- 1.37   0.005% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  19.12 +/- 3.75   0.001% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  21.61 +/- 3.50   0.000% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 22.6:
          HN    TRP   87 - HN    ASP-  86   2.74 +/- 0.04  99.478% * 98.7385% (0.95   3.69  22.56) =  99.999%  kept
          HE3   TRP   87 - HN    ASP-  86   6.71 +/- 0.54   0.522% *  0.1746% (0.31   0.02  22.56) =   0.001%
          HN    GLN   17 - HN    ASP-  86  26.55 +/- 2.13   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  29.20 +/- 3.03   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 4.03, residual support = 41.0:
      O   HA    ASP-  86 - HN    ASP-  86   2.72 +/- 0.01  81.403% * 84.6024% (0.87  10.0   4.05  42.00) =  96.423%  kept
      O   HA    SER   85 - HN    ASP-  86   3.54 +/- 0.01  16.973% * 15.0488% (0.15  10.0   3.27  13.43) =   3.576%  kept
          HA    TRP   87 - HN    ASP-  86   5.28 +/- 0.03   1.540% *  0.0271% (0.28   1.0   0.02  22.56) =   0.001%
          HB    THR   77 - HN    ASP-  86   8.90 +/- 1.04   0.079% *  0.0150% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  14.59 +/- 2.00   0.004% *  0.0193% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  22.99 +/- 3.60   0.000% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  30.73 +/- 2.55   0.000% *  0.0900% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  35.62 +/- 3.86   0.000% *  0.0815% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  38.01 +/- 4.77   0.000% *  0.0217% (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 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.69, residual support = 22.6:
          HN    ASP-  86 - HN    TRP   87   2.74 +/- 0.04  99.995% * 98.4310% (1.00   3.69  22.56) = 100.000%  kept
          HN    GLN   30 - HN    TRP   87  17.85 +/- 2.93   0.002% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    TRP   87  17.41 +/- 2.79   0.002% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  20.44 +/- 3.45   0.001% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  23.47 +/- 3.29   0.000% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  31.15 +/- 3.04   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.849, support = 4.1, residual support = 70.6:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.00  77.566% * 78.1363% (0.90  10.0   4.16  74.42) =  92.557%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.62 +/- 0.01  22.433% * 21.7248% (0.25  10.0   3.39  22.56) =   7.443%  kept
          HA    LEU  104 - HN    TRP   87  21.13 +/- 3.61   0.001% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  22.69 +/- 1.44   0.000% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  30.67 +/- 2.71   0.000% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  35.80 +/- 3.96   0.000% *  0.0194% (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 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 1.85, residual support = 74.4:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.713% * 98.5100% (0.28  10.0   1.85  74.42) =  99.996%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.227% *  0.2783% (0.73   1.0   0.02  74.42) =   0.004%
          HN    ALA   91 - HE1   TRP   87  10.16 +/- 0.68   0.033% *  0.3799% (0.99   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HE1   TRP   87  11.66 +/- 2.89   0.025% *  0.3437% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  18.88 +/- 2.09   0.001% *  0.3699% (0.97   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  21.57 +/- 3.91   0.000% *  0.1183% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.798, support = 0.0199, residual support = 0.0199:
          HZ2   TRP   27 - HE1   TRP   87   7.77 +/- 4.42  98.765% * 80.1831% (0.80   0.02   0.02) =  99.692%  kept
          HZ    PHE   72 - HE1   TRP   87  20.16 +/- 3.48   1.235% * 19.8169% (0.20   0.02   0.02) =   0.308%
    Distance limit 4.13 A violated in 16 structures by 3.65 A, eliminated.
    Peak unassigned.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.283, support = 3.07, residual support = 5.24:
      O   HA    TRP   87 - HN    ALA   88   3.31 +/- 0.10  23.535% * 95.2913% (0.28  10.0   3.10   5.30) =  98.878%  kept
          HA    ASP-  86 - HN    ALA   88   4.14 +/- 0.14   6.164% *  3.5255% (0.87   1.0   0.24   0.02) =   0.958%  kept
          HA    SER   85 - HN    ALA   88   2.75 +/- 0.07  70.205% *  0.0529% (0.15   1.0   0.02   0.02) =   0.164%
          HB    THR   77 - HN    ALA   88   8.67 +/- 1.16   0.091% *  0.0529% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  14.38 +/- 2.04   0.004% *  0.0678% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  22.45 +/- 3.40   0.000% *  0.3308% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  32.28 +/- 2.57   0.000% *  0.3164% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  37.49 +/- 3.80   0.000% *  0.2863% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  39.99 +/- 4.58   0.000% *  0.0763% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.605, support = 0.881, residual support = 19.4:
          HA    TRP   87 - HN    ILE   89   4.25 +/- 0.25  91.766% * 76.4249% (0.61   0.89  19.79) =  98.002%  kept
          HA    ASP-  86 - HN    ILE   89   6.48 +/- 0.22   8.218% * 17.3964% (0.53   0.23   0.02) =   1.998%  kept
          HA    LEU  104 - HN    ILE   89  21.47 +/- 2.83   0.008% *  2.6646% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ILE   89  21.19 +/- 1.27   0.006% *  0.4346% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  31.04 +/- 2.40   0.001% *  1.7085% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  36.46 +/- 3.71   0.000% *  1.3711% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.09 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.0:
          HN    ALA   91 - HN    GLN   90   2.97 +/- 0.35  99.919% * 99.1370% (0.92   6.75  31.98) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90  10.06 +/- 0.46   0.077% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  18.31 +/- 1.68   0.002% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  19.70 +/- 1.01   0.001% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  26.72 +/- 1.81   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.05 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.347, support = 5.47, residual support = 94.8:
      O   HA    GLN   90 - HN    GLN   90   2.60 +/- 0.25  97.545% * 68.5365% (0.34  10.0   5.49  95.54) =  98.878%  kept
          HA    ALA   91 - HN    GLN   90   5.15 +/- 0.37   2.446% * 31.0098% (0.87   1.0   3.56  31.98) =   1.122%  kept
          HA    ALA  110 - HN    GLN   90  14.26 +/- 1.72   0.005% *  0.0901% (0.45   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    GLN   90  16.22 +/- 1.06   0.002% *  0.1939% (0.97   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  18.44 +/- 1.98   0.001% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  17.49 +/- 1.53   0.001% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 95.5:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 99.0596% (0.92  10.0 10.00   1.00  95.54) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  30.81 +/- 2.70   0.000% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  31.24 +/- 2.47   0.000% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 95.5:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.981% * 99.4024% (0.76  10.0   1.00  95.54) = 100.000%  kept
          HD21  ASN   35 - HE22  GLN   32   8.04 +/- 0.87   0.014% *  0.0646% (0.25   1.0   0.02   6.45) =   0.000%
          HD1   TRP   49 - HE22  GLN   90  11.16 +/- 2.05   0.006% *  0.0401% (0.15   1.0   0.02   1.06) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  20.94 +/- 2.78   0.000% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  21.27 +/- 1.24   0.000% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  19.04 +/- 1.15   0.000% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  30.76 +/- 2.76   0.000% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  30.81 +/- 2.70   0.000% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  29.95 +/- 3.15   0.000% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  31.00 +/- 1.39   0.000% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  31.68 +/- 1.40   0.000% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  34.36 +/- 2.07   0.000% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 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 = 32.0:
        T HN    GLN   90 - HN    ALA   91   2.97 +/- 0.35  99.829% * 99.6698% (0.95 10.00   6.75  31.98) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91  10.37 +/- 1.44   0.086% *  0.0554% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  11.99 +/- 1.05   0.034% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  18.31 +/- 1.68   0.002% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  12.05 +/- 2.75   0.045% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  22.05 +/- 1.63   0.001% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.50 +/- 1.61   0.002% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.46 +/- 1.51   0.001% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.10 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.143, support = 0.02, residual support = 16.6:
          HA    LEU   73 - HN    TRP   27   8.67 +/- 0.99  98.477% * 10.9973% (0.08   0.02  18.63) =  88.875%  kept
          HA    LEU   73 - HN    ALA   91  18.19 +/- 1.07   1.523% * 89.0027% (0.65   0.02   0.02) =  11.125%  kept
    Distance limit 4.31 A violated in 20 structures by 4.34 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.879, support = 3.4, residual support = 26.9:
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.02  42.971% * 89.2967% (1.00  10.0   3.12  14.57) =  86.552%  kept
      O   HA    TRP   27 - HN    TRP   27   2.78 +/- 0.04  56.994% * 10.4606% (0.12  10.0   5.22 106.57) =  13.448%  kept
          HA    PRO   52 - HN    ALA   91  11.45 +/- 1.90   0.022% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  15.16 +/- 0.93   0.002% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  12.53 +/- 1.40   0.008% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.56 +/- 1.42   0.001% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.49 +/- 1.92   0.001% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.54 +/- 0.94   0.000% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.28 +/- 1.21   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  23.39 +/- 2.23   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (7.73, 8.46, 118.59 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.55, residual support = 14.2:
          HN    ALA   91 - HN    MET   92   4.05 +/- 0.37  98.766% * 98.2279% (0.99   3.55  14.20) =  99.997%  kept
          HD1   TRP   87 - HN    MET   92   9.13 +/- 1.94   1.036% *  0.1552% (0.28   0.02   0.02) =   0.002%
          HE3   TRP   87 - HN    MET   92  12.35 +/- 1.38   0.154% *  0.4053% (0.73   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    MET   92  15.57 +/- 1.12   0.031% *  0.5387% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    MET   92  18.59 +/- 1.95   0.011% *  0.5006% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HN    MET   92  26.47 +/- 1.12   0.001% *  0.1723% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.52, residual support = 64.0:
      O   HA    MET   92 - HN    MET   92   2.83 +/- 0.04  99.631% * 99.1845% (0.25  10.0   4.52  63.97) = 100.000%  kept
          HA    PHE   45 - HN    MET   92   8.20 +/- 1.66   0.368% *  0.0992% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    MET   92  19.65 +/- 1.04   0.001% *  0.3185% (0.80   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  23.00 +/- 1.59   0.000% *  0.3978% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.55, residual support = 14.2:
      O   HA    ALA   91 - HN    MET   92   2.41 +/- 0.20  99.938% * 99.6892% (0.80  10.0   3.55  14.20) = 100.000%  kept
          HA    PRO   52 - HN    MET   92   9.75 +/- 1.66   0.044% *  0.0855% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  12.35 +/- 0.85   0.008% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  12.57 +/- 1.39   0.010% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  18.07 +/- 1.80   0.001% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.3, residual support = 27.2:
        T HN    PHE   45 - HN    THR   94   2.87 +/- 0.35  99.110% * 99.8946% (0.95 10.00   3.30  27.21) =  99.999%  kept
          HN    ALA  110 - HN    THR   94   7.48 +/- 2.03   0.890% *  0.1054% (1.00  1.00   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   8.97 +/- 0.42 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.24 A violated in 20 structures by 4.74 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 = 15.7:
      O   HA    PRO   93 - HN    THR   94   2.15 +/- 0.01  99.978% * 99.9112% (0.22  10.0   4.09  15.72) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   9.07 +/- 1.11   0.022% *  0.0888% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.97, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   5.99 +/- 0.08  88.693% * 54.6147% (1.00   0.02   0.02) =  92.876%  kept
          HA    LYS+  74 - HN    THR   94   8.57 +/- 0.53  11.126% * 33.1992% (0.61   0.02   0.02) =   7.082%  kept
          HA    HIS  122 - HN    THR   94  17.58 +/- 1.58   0.182% * 12.1862% (0.22   0.02   0.02) =   0.042%
    Distance limit 3.67 A violated in 20 structures by 2.21 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 45.5:
          HN    VAL  107 - HN    PHE   95   3.24 +/- 0.43  99.985% * 99.0525% (0.97   2.00  45.55) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  15.00 +/- 1.21   0.015% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.02 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   3.34 +/- 0.46  99.731% * 99.3380% (0.87   3.86  73.52) =  99.999%  kept
          HN    ALA   47 - HN    PHE   95  11.30 +/- 0.74   0.103% *  0.5142% (0.87   0.02   0.02) =   0.001%
          QE    PHE   72 - HN    PHE   95  10.72 +/- 1.50   0.167% *  0.1478% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.06 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  73.52) = 100.000%  kept
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 14.5:
      O   HA    THR   94 - HN    PHE   95   2.20 +/- 0.08  99.973% * 99.8515% (0.65  10.0   3.16  14.54) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95  10.43 +/- 0.37   0.009% *  0.1180% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.32 +/- 0.14   0.018% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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  99.726% * 99.9800% (0.94  10.0   4.09 115.56) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   7.85 +/- 0.38   0.274% *  0.0200% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 4.48, residual support = 58.2:
        T HN    ASP- 105 - HN    PHE   97   3.76 +/- 0.81  99.963% * 99.9802% (1.00 10.00   4.48  58.24) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  17.15 +/- 2.79   0.037% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 3 structures by 0.21 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.1, residual support = 62.7:
          QD    PHE   97 - HN    PHE   97   2.84 +/- 0.68  99.899% * 98.9945% (0.80   4.10  62.66) =  99.999%  kept
          HZ3   TRP   87 - HN    PHE   97  12.51 +/- 4.72   0.100% *  0.5228% (0.87   0.02   0.02) =   0.001%
          HE3   TRP   49 - HN    PHE   97  22.73 +/- 1.30   0.001% *  0.4826% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.05 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.02, residual support = 11.5:
          HA    LYS+ 106 - HN    PHE   97   3.49 +/- 0.56 100.000% *100.0000% (0.98   3.02  11.47) = 100.000%  kept
    Distance limit 4.21 A violated in 0 structures by 0.06 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 46.3:
      O   HA    MET   96 - HN    PHE   97   2.25 +/- 0.06  99.986% * 99.9800% (0.99  10.0   6.07  46.26) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.97 +/- 0.43   0.014% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 5.21, residual support = 29.8:
        T HN    VAL   41 - HN    LEU   98   3.21 +/- 0.52 100.000% *100.0000% (0.69 10.00   5.21  29.79) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.04 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.21, residual support = 81.4:
      O   HA    LEU   98 - HN    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.80  10.0   5.21  81.44) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 521 (5.36, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.44, residual support = 10.9:
      O   HA    PHE   97 - HN    LEU   98   2.20 +/- 0.00 100.000% *100.0000% (0.98  10.0   3.44  10.94) = 100.000%  kept
    Distance limit 3.05 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 = 0.479, support = 1.43, residual support = 4.49:
          HA    VAL   42 - HN    LEU   98   3.67 +/- 0.51  79.448% * 26.1868% (0.45   0.97   0.55) =  60.000%  kept
          HA    LEU   40 - HN    LEU   98   4.99 +/- 0.58  20.485% * 67.7056% (0.53   2.13  10.42) =  39.998%  kept
          HA    SER   37 - HN    LEU   98  14.25 +/- 0.59   0.026% *  1.1648% (0.97   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   98  15.98 +/- 1.03   0.012% *  1.1648% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   98  16.56 +/- 0.59   0.009% *  1.1962% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   98  16.26 +/- 1.20   0.012% *  0.8764% (0.73   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   98  17.91 +/- 0.97   0.006% *  0.8290% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  22.30 +/- 1.75   0.002% *  0.8764% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.93, support = 0.801, residual support = 1.45:
          HN    LYS+ 102 - HN    LYS+  99   2.89 +/- 0.83  96.813% * 54.6712% (0.95   0.75   1.48) =  97.897%  kept
          HN    ASP- 105 - HN    LYS+  99   6.28 +/- 0.43   2.664% * 42.6102% (0.18   3.16   0.02) =   2.100%  kept
          HN    THR   39 - HN    LYS+  99   9.55 +/- 0.40   0.189% *  0.5780% (0.38   0.02   0.02) =   0.002%
          HN    GLU-  36 - HN    LYS+  99  12.14 +/- 0.56   0.045% *  1.2333% (0.80   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    GLN   30   9.35 +/- 0.28   0.210% *  0.0810% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  19.15 +/- 3.46   0.004% *  0.6332% (0.41   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.55 +/- 0.44   0.055% *  0.0380% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  16.43 +/- 2.89   0.012% *  0.0416% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  15.89 +/- 2.11   0.005% *  0.0957% (0.06   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  18.03 +/- 0.66   0.004% *  0.0177% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.16 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.22, residual support = 17.4:
      O   HA    LEU   98 - HN    LYS+  99   2.31 +/- 0.08  99.998% * 99.9934% (0.99  10.0   4.22  17.41) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.52 +/- 0.76   0.002% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 171.2:
      O   HA    LYS+  99 - HN    LYS+  99   2.92 +/- 0.01  99.817% * 99.5300% (0.80  10.0   5.19 171.16) = 100.000%  kept
          HA    ASN   35 - HN    LYS+  99   9.09 +/- 0.62   0.125% *  0.0804% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  15.83 +/- 2.21   0.006% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  11.00 +/- 0.28   0.036% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  18.79 +/- 1.18   0.002% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  22.09 +/- 1.56   0.001% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  14.05 +/- 0.78   0.009% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  21.88 +/- 1.17   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  19.91 +/- 3.80   0.002% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  22.11 +/- 0.96   0.001% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  19.37 +/- 3.01   0.002% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  23.72 +/- 1.24   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  24.73 +/- 2.69   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  29.60 +/- 1.34   0.000% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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   3.08 +/- 0.43  95.444% * 99.9864% (1.00 10.00   3.61  14.94) =  99.999%  kept
          HN    LEU   40 - HN    GLU- 100   5.33 +/- 0.70   4.556% *  0.0136% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.83, residual support = 38.2:
      O   HA    LYS+  99 - HN    GLU- 100   2.19 +/- 0.05  85.574% * 99.5956% (0.99  10.0   6.83  38.17) =  99.996%  kept
          HA    LEU   40 - HN    GLU- 100   3.32 +/- 0.78  13.870% *  0.0199% (0.20   1.0   0.02   0.02) =   0.003%
          HA    ASN   35 - HN    GLU- 100   5.69 +/- 0.74   0.554% *  0.0928% (0.92   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU- 100  16.57 +/- 2.84   0.001% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  23.82 +/- 1.32   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.22 +/- 1.31   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  24.89 +/- 1.80   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (7.77, 8.85, 104.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.72 +/- 0.78  99.607% * 98.8246% (0.95   3.13  12.53) =  99.999%  kept
          HN    THR   39 - HN    GLY  101   8.36 +/- 0.92   0.185% *  0.2503% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLY  101  10.01 +/- 1.01   0.076% *  0.5341% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.46 +/- 0.40   0.130% *  0.1168% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  20.25 +/- 3.46   0.002% *  0.2742% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 0.75, residual support = 1.48:
          HN    LYS+  99 - HN    LYS+ 102   2.89 +/- 0.83  99.886% * 93.9160% (0.98   0.75   1.48) =  99.998%  kept
          HE1   HIS  122 - HN    LYS+ 102  12.71 +/- 4.30   0.055% *  2.4153% (0.95   0.02   0.02) =   0.001%
          HN    ASN   35 - HN    LYS+ 102  10.77 +/- 1.64   0.051% *  0.3940% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  15.89 +/- 2.11   0.005% *  0.6367% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  24.13 +/- 2.12   0.001% *  2.1327% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  22.52 +/- 3.79   0.002% *  0.5053% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.12 A, kept.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.13, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.72 +/- 0.78  99.931% * 99.9864% (1.00 10.00   3.13  12.53) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   9.67 +/- 1.25   0.069% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.05 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   3.08 +/- 0.43 100.000% *100.0000% (0.80 10.00   3.61  14.94) = 100.000%  kept
    Distance limit 4.04 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 = 0.984, support = 1.42, residual support = 1.4:
          HA    LYS+  99 - HN    GLY  101   3.90 +/- 0.55  85.557% * 89.0630% (0.99   1.43   1.41) =  99.111%  kept
          HA    LEU   40 - HN    GLY  101   5.71 +/- 1.11  10.393% *  6.1267% (0.20   0.49   0.02) =   0.828%  kept
          HA    ASN   35 - HN    GLY  101   6.78 +/- 0.92   4.030% *  1.1605% (0.92   0.02   0.02) =   0.061%
          HA    LEU  123 - HN    GLY  101  18.23 +/- 2.62   0.014% *  1.0067% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  24.42 +/- 1.56   0.002% *  1.1275% (0.90   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  25.15 +/- 1.64   0.002% *  1.1275% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  21.35 +/- 1.61   0.004% *  0.3880% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.02 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 +/- 0.20  99.911% * 99.5220% (1.00  10.0   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   8.63 +/- 1.16   0.077% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  12.73 +/- 2.19   0.009% *  0.0833% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  17.83 +/- 1.80   0.001% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.57 +/- 1.99   0.001% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.40 +/- 1.48   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  18.70 +/- 2.32   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  27.53 +/- 1.42   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 36.9:
          HN    LEU  104 - HN    ILE  103   4.58 +/- 0.09  99.950% * 99.3899% (0.49   6.56  36.89) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  16.34 +/- 0.45   0.050% *  0.6101% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.23 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   2.29 +/- 0.11  99.999% * 99.7796% (0.97  10.0   5.97  22.40) = 100.000%  kept
          HA    CYS   21 - HN    ILE  103  20.77 +/- 1.09   0.000% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  18.75 +/- 0.71   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  21.41 +/- 0.69   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  26.25 +/- 1.39   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  29.39 +/- 0.81   0.000% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 138.2:
      O   HA    ILE  103 - HN    ILE  103   2.75 +/- 0.09  99.983% * 99.2916% (0.98  10.0   6.99 138.16) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  13.35 +/- 0.48   0.008% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  14.42 +/- 0.78   0.005% *  0.0879% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  21.95 +/- 3.48   0.001% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  21.70 +/- 1.91   0.000% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  19.15 +/- 4.66   0.002% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  25.48 +/- 1.90   0.000% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.51 +/- 1.08   0.000% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.65 +/- 0.82   0.000% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  32.92 +/- 3.35   0.000% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  26.61 +/- 1.31   0.000% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  30.84 +/- 2.81   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 6.89, residual support = 39.4:
        T HN    ASP- 105 - HN    LEU  104   2.36 +/- 0.39 100.000% * 99.9802% (1.00 10.00   6.89  39.43) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  20.30 +/- 3.28   0.000% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.71, residual support = 8.47:
          HA    LEU   98 - HN    LEU  104   2.83 +/- 0.63 100.000% *100.0000% (0.80   3.71   8.47) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.47, residual support = 36.9:
      O   HA    ILE  103 - HN    LEU  104   2.26 +/- 0.08  99.989% * 99.2645% (0.95  10.0   6.47  36.89) = 100.000%  kept
          HA    ASP-  44 - HN    LEU  104  12.15 +/- 0.66   0.005% *  0.1049% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  11.98 +/- 0.92   0.005% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  20.94 +/- 1.54   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  20.58 +/- 4.05   0.000% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  22.57 +/- 2.88   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.24 +/- 0.97   0.000% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  25.11 +/- 1.40   0.000% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  24.60 +/- 1.35   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  26.23 +/- 0.89   0.000% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  31.69 +/- 2.85   0.000% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  29.35 +/- 2.56   0.000% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.48, residual support = 58.2:
        T HN    PHE   97 - HN    ASP- 105   3.76 +/- 0.81  99.795% * 99.7623% (0.73 10.00   4.48  58.24) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  13.08 +/- 1.65   0.169% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  15.56 +/- 0.70   0.035% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  30.23 +/- 2.35   0.001% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 3 structures by 0.28 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 6.89, residual support = 39.4:
        T HN    LEU  104 - HN    ASP- 105   2.36 +/- 0.39  99.997% * 99.9822% (0.87 10.00   6.89  39.43) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  14.02 +/- 0.38   0.003% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.17, residual support = 135.7:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.88 +/- 0.03 100.000% *100.0000% (0.95  10.0   5.17 135.68) = 100.000%  kept
    Distance limit 3.75 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 = 20.3:
      O   HA    ASP- 105 - HN    LYS+ 106   2.46 +/- 0.08  99.999% * 99.6913% (0.92  10.0   3.49  20.34) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  22.88 +/- 2.17   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  24.72 +/- 1.49   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  23.22 +/- 1.79   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  23.20 +/- 1.32   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.37, residual support = 41.7:
      O   HA    ASP- 105 - HN    ASP- 105   2.88 +/- 0.03  99.998% * 99.6913% (0.92  10.0   4.37  41.73) = 100.000%  kept
          HA    LEU   80 - HN    ASP- 105  23.10 +/- 2.17   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  23.70 +/- 1.31   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  22.55 +/- 1.64   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  24.42 +/- 1.18   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.373, support = 6.03, residual support = 35.7:
      O   HA    LEU  104 - HN    ASP- 105   3.59 +/- 0.05  70.988% * 76.6692% (0.34  10.0   6.38  39.43) =  89.573%  kept
          HA    ILE  103 - HN    ASP- 105   4.28 +/- 0.54  28.893% * 21.9264% (0.65   1.0   3.02   3.18) =  10.426%  kept
          HA    ASP-  44 - HN    ASP- 105  11.39 +/- 0.49   0.075% *  0.1877% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP- 105  12.89 +/- 0.65   0.034% *  0.0500% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  21.03 +/- 3.77   0.003% *  0.1800% (0.80   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  20.52 +/- 1.31   0.002% *  0.1718% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  22.60 +/- 2.63   0.001% *  0.1718% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  24.67 +/- 1.44   0.001% *  0.1632% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  29.71 +/- 2.52   0.000% *  0.1877% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  25.08 +/- 1.28   0.001% *  0.0625% (0.28   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  32.19 +/- 2.76   0.000% *  0.1950% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.80 +/- 0.96   0.001% *  0.0347% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 5.68:
          QD    PHE   97 - HN    VAL  107   4.29 +/- 0.85  99.636% * 99.0099% (0.87   2.25   5.68) =  99.997%  kept
          HZ3   TRP   87 - HN    VAL  107  14.10 +/- 4.17   0.342% *  0.8124% (0.80   0.02   0.02) =   0.003%
          HE3   TRP   49 - HN    VAL  107  19.37 +/- 1.31   0.022% *  0.1777% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 4 structures by 0.33 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.57, residual support = 26.8:
      O   HA    LYS+ 106 - HN    VAL  107   2.23 +/- 0.07 100.000% *100.0000% (0.98  10.0   4.57  26.83) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 549 (4.49, 9.57, 125.50 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.66, residual support = 58.2:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  99.801% * 99.7406% (0.95  10.0   3.66  58.23) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   8.83 +/- 1.25   0.182% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  14.24 +/- 0.56   0.008% *  0.1052% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  16.93 +/- 0.65   0.003% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  15.04 +/- 1.48   0.006% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.82, residual support = 58.2:
          QD    PHE   97 - HN    ASP- 105   3.93 +/- 0.51  99.887% * 99.6152% (0.87   5.82  58.24) = 100.000%  kept
          HZ3   TRP   87 - HN    ASP- 105  15.30 +/- 5.09   0.112% *  0.3158% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    ASP- 105  25.71 +/- 1.30   0.002% *  0.0691% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.264, support = 0.0199, residual support = 0.0199:
          HA    THR   94 - HN    GLY  109   4.43 +/- 1.17  92.547% * 19.2756% (0.26   0.02   0.02) =  90.278%  kept
          HA    MET   92 - HN    GLY  109   7.05 +/- 1.23   7.344% * 25.3346% (0.34   0.02   0.02) =   9.415%  kept
          HA    LYS+  74 - HN    GLY  109  14.45 +/- 1.30   0.110% * 55.3898% (0.74   0.02   0.02) =   0.307%
    Distance limit 4.29 A violated in 3 structures by 0.37 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 = 0.485, support = 2.23, residual support = 8.22:
      O   HA    VAL  108 - HN    GLY  109   2.23 +/- 0.04  78.167% * 31.6430% (0.34  10.0   2.33   7.64) =  62.460%  kept
      O   HA1   GLY  109 - HN    GLY  109   2.80 +/- 0.23  21.825% * 68.1141% (0.73  10.0   2.07   9.19) =  37.540%  kept
          HA    CYS   50 - HN    GLY  109  12.23 +/- 2.47   0.005% *  0.0692% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  13.17 +/- 1.96   0.002% *  0.0400% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  16.22 +/- 2.07   0.001% *  0.0612% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  21.07 +/- 1.26   0.000% *  0.0485% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.35 +/- 0.60   0.000% *  0.0241% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.04, residual support = 9.12:
          HN    LYS+ 111 - HN    ALA  110   2.94 +/- 0.70  99.563% * 97.3104% (0.90   3.04   9.12) =  99.997%  kept
          HN    ILE   56 - HN    ALA  110   8.68 +/- 2.64   0.413% *  0.6992% (0.98   0.02   4.57) =   0.003%
          HN    LEU   63 - HN    ALA  110  14.29 +/- 2.32   0.013% *  0.6584% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  17.76 +/- 2.74   0.004% *  0.6397% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  17.49 +/- 3.67   0.005% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  22.13 +/- 2.24   0.001% *  0.2202% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  30.74 +/- 1.83   0.000% *  0.3472% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.691, support = 2.03, residual support = 6.15:
      O   HA1   GLY  109 - HN    ALA  110   3.29 +/- 0.45  60.306% * 93.8842% (0.69  10.0   2.07   6.40) =  96.115%  kept
          HA    VAL  108 - HN    ALA  110   4.16 +/- 1.19  39.619% *  5.7754% (0.80   1.0   1.06   0.02) =   3.884%  kept
          HA    CYS   50 - HN    ALA  110  12.06 +/- 2.86   0.050% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ALA  110  13.75 +/- 2.33   0.018% *  0.1226% (0.90   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  16.10 +/- 2.52   0.006% *  0.0719% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  22.17 +/- 2.17   0.001% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.74, residual support = 9.59:
      O   HA    ALA  110 - HN    ALA  110   2.34 +/- 0.20  99.717% * 98.1886% (0.18  10.0   2.74   9.59) =  99.999%  kept
          HA    VAL  107 - HN    ALA  110   6.69 +/- 0.83   0.210% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ALA  110   9.19 +/- 3.24   0.060% *  0.1912% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    ALA  110  10.98 +/- 1.57   0.012% *  0.5594% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA  110  21.52 +/- 2.03   0.000% *  0.5304% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 28.1:
        T HN    LYS+ 112 - HN    LYS+ 111   4.39 +/- 0.11  99.878% * 99.8172% (0.99 10.00   5.34  28.08) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  14.60 +/- 1.77   0.090% *  0.0199% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  19.53 +/- 1.94   0.015% *  0.0570% (0.57  1.00   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  19.19 +/- 2.27   0.017% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  40.93 +/- 3.28   0.000% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.39 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.12:
        T HN    ALA  110 - HN    LYS+ 111   2.94 +/- 0.70  99.962% * 99.9053% (1.00 10.00   3.04   9.12) = 100.000%  kept
          HN    PHE   45 - HN    LYS+ 111  11.91 +/- 1.76   0.038% *  0.0947% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.777, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  12.27 +/- 1.62  40.059% * 58.2608% (1.00   0.02   0.02) =  65.470%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.11 +/- 1.36  40.004% * 19.8732% (0.34   0.02   0.02) =  22.301%  kept
          HD2   HIS  122 - HN    LYS+ 111  13.44 +/- 1.19  19.937% * 21.8659% (0.38   0.02   0.02) =  12.229%  kept
    Distance limit 4.36 A violated in 20 structures by 5.73 A, eliminated.
    Peak unassigned.
 
    Peak 559 (4.48, 7.58, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 9.12:
      O   HA    ALA  110 - HN    LYS+ 111   2.93 +/- 0.29  98.380% * 99.3312% (0.45  10.0   3.04   9.12) =  99.997%  kept
          HA    VAL  107 - HN    LYS+ 111   6.45 +/- 1.50   1.537% *  0.2138% (0.97   1.0   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    LYS+ 111  10.81 +/- 2.46   0.064% *  0.0438% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LYS+ 111  13.51 +/- 1.37   0.014% *  0.1922% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  16.46 +/- 1.52   0.005% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  23.23 +/- 1.83   0.000% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.11 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.09, residual support = 28.1:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.30 +/- 0.20  99.981% * 99.8075% (0.53  10.0   7.09  28.08) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.72 +/- 0.83   0.018% *  0.1074% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  17.78 +/- 1.13   0.001% *  0.0851% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 4.16, residual support = 21.8:
        T HN    GLU- 114 - HN    ASP- 113   2.56 +/- 0.15  97.577% * 99.7300% (0.81 10.00   4.16  21.79) =  99.998%  kept
          HN    GLN  116 - HN    ASP- 113   4.89 +/- 0.26   2.287% *  0.0946% (0.76  1.00   0.02   1.50) =   0.002%
          HN    THR  118 - HN    ASP- 113   7.94 +/- 0.45   0.127% *  0.0682% (0.55  1.00   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  12.61 +/- 1.17   0.008% *  0.0433% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  22.77 +/- 1.53   0.000% *  0.0639% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 4.16, residual support = 21.8:
        T HN    ASP- 113 - HN    GLU- 114   2.56 +/- 0.15 100.000% *100.0000% (1.00 10.00   4.16  21.79) = 100.000%  kept
    Distance limit 2.99 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 = 3.64, residual support = 44.5:
      O   HA    GLU- 114 - HN    GLU- 114   2.81 +/- 0.04  97.136% * 99.6055% (0.97  10.0   3.64  44.48) =  99.998%  kept
          HA    LEU  115 - HN    GLU- 114   5.07 +/- 0.09   2.843% *  0.0543% (0.53   1.0   0.02  16.14) =   0.002%
          HA    CYS   53 - HN    GLU- 114  12.20 +/- 1.34   0.020% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  24.45 +/- 1.79   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.22 +/- 1.41   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  26.45 +/- 1.27   0.000% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  29.94 +/- 0.93   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 2.17, residual support = 3.91:
          HA    LYS+ 111 - HN    ASP- 113   3.78 +/- 0.41  99.582% * 99.1918% (0.74   2.17   3.91) =  99.999%  kept
          HA    VAL  108 - HN    ASP- 113  10.34 +/- 0.54   0.259% *  0.2632% (0.21   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ASP- 113  12.04 +/- 1.83   0.152% *  0.3601% (0.29   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    ASP- 113  19.85 +/- 1.06   0.006% *  0.1849% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.06 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.42, residual support = 14.3:
      O   HA    ASP- 113 - HN    ASP- 113   2.79 +/- 0.06  99.893% * 99.6702% (0.85  10.0   3.42  14.27) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   9.73 +/- 1.24   0.071% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  11.09 +/- 1.50   0.033% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  16.84 +/- 0.53   0.002% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.38 +/- 1.74   0.000% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  22.55 +/- 2.86   0.000% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  30.11 +/- 1.64   0.000% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.91, support = 7.3, residual support = 81.0:
        T HN    GLN  116 - HN    LEU  115   2.80 +/- 0.09  35.174% * 85.3182% (0.99 10.00   7.94 100.94) =  76.530%  kept
          HN    GLU- 114 - HN    LEU  115   2.53 +/- 0.12  63.474% * 14.4974% (0.65  1.00   5.21  16.14) =  23.467%  kept
          HN    THR  118 - HN    LEU  115   4.86 +/- 0.27   1.332% *  0.0814% (0.95  1.00   0.02   0.02) =   0.003%
          HN    PHE   60 - HN    LEU  115   9.93 +/- 0.94   0.020% *  0.0658% (0.76  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  19.09 +/- 1.51   0.000% *  0.0239% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  26.73 +/- 1.56   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 = 7.94, residual support = 100.9:
        T HN    LEU  115 - HN    GLN  116   2.80 +/- 0.09  99.991% * 99.8619% (0.98 10.00   7.94 100.94) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.67 +/- 1.39   0.009% *  0.0999% (0.98  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  34.74 +/- 1.74   0.000% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 5.6, residual support = 28.3:
        T HN    SER  117 - HN    GLN  116   2.68 +/- 0.15 100.000% * 99.8966% (0.97 10.00   5.60  28.25) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  22.09 +/- 1.57   0.000% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  27.56 +/- 1.59   0.000% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.973, support = 4.51, residual support = 19.0:
        T HN    GLN  116 - HN    SER  117   2.68 +/- 0.15  57.160% * 50.9371% (0.99 10.00   5.60  28.25) =  59.545%  kept
        T HN    THR  118 - HN    SER  117   2.83 +/- 0.11  40.688% * 48.6147% (0.95 10.00   2.91   5.32) =  40.453%  kept
          HN    GLU- 114 - HN    SER  117   4.65 +/- 0.26   2.141% *  0.0332% (0.65  1.00   0.02   0.02) =   0.001%
        T HN    PHE   60 - HN    SER  117  11.53 +/- 0.70   0.010% *  0.3928% (0.76 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  18.53 +/- 1.36   0.001% *  0.0143% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  26.60 +/- 1.40   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 = 2.55, residual support = 123.5:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.994% * 99.8133% (0.95  10.0   2.55 123.52) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   9.56 +/- 1.51   0.006% *  0.1018% (0.96   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  17.87 +/- 1.95   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  23.30 +/- 3.35   0.000% *  0.0293% (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 = 2.55, residual support = 123.5:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.027% * 99.7477% (0.90  10.0 10.00   2.55 123.52) =  99.999%  kept
          HN    ALA  120 - HE22  GLN  116   5.30 +/- 2.00   0.968% *  0.1090% (0.98   1.0  1.00   0.02   0.30) =   0.001%
          HN    ALA   57 - HE22  GLN  116  12.70 +/- 2.60   0.002% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  11.08 +/- 2.56   0.003% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  28.90 +/- 2.58   0.000% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.86 +/- 0.15  96.347% * 91.8913% (1.00   0.75   1.50) =  99.939%  kept
          HA    PHE   59 - HN    GLN  116   7.64 +/- 0.99   2.316% *  1.4896% (0.61   0.02   0.65) =   0.039%
          HA    ILE   56 - HN    GLN  116   8.67 +/- 1.27   1.224% *  1.4896% (0.61   0.02   0.02) =   0.021%
          HA    LEU  123 - HN    GLN  116  12.23 +/- 0.63   0.103% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  19.62 +/- 1.93   0.007% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  26.41 +/- 1.82   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  22.64 +/- 2.68   0.003% *  0.3789% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 7.01, residual support = 123.5:
      O   HA    GLN  116 - HN    GLN  116   2.77 +/- 0.04  99.996% * 99.5202% (1.00  10.0   7.01 123.52) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  18.37 +/- 1.70   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  18.70 +/- 1.29   0.001% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  20.97 +/- 1.92   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  20.81 +/- 1.68   0.001% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  28.32 +/- 1.64   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  26.03 +/- 1.66   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  29.14 +/- 1.52   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  29.09 +/- 1.81   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 7.38, residual support = 201.2:
      O   HA    LEU  115 - HN    LEU  115   2.78 +/- 0.04  81.738% * 60.5049% (1.00  10.0   7.74 227.98) =  87.353%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.57 +/- 0.04  18.252% * 39.2280% (0.65  10.0   4.95  16.14) =  12.647%  kept
          HA    ARG+  54 - HN    LEU  115  13.49 +/- 1.14   0.008% *  0.0392% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.67 +/- 0.46   0.001% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  23.17 +/- 2.07   0.000% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.24 +/- 1.58   0.000% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  24.68 +/- 1.46   0.000% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  23.36 +/- 1.35   0.000% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  27.91 +/- 1.12   0.000% *  0.0187% (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 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.57, residual support = 16.1:
      O   HA    SER  117 - HN    SER  117   2.73 +/- 0.03  99.993% * 99.4282% (0.38  10.0   3.57  16.07) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  13.72 +/- 0.80   0.007% *  0.2506% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  28.97 +/- 1.03   0.000% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  29.14 +/- 1.82   0.000% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 5.59, residual support = 55.9:
        T HN    ILE  119 - HN    ALA  120   2.62 +/- 0.07  99.999% * 99.2864% (0.83 10.00   5.59  55.94) = 100.000%  kept
        T HN    CYS   21 - HN    ALA  120  22.57 +/- 1.18   0.000% *  0.4963% (0.41 10.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  23.87 +/- 1.76   0.000% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  24.31 +/- 2.27   0.000% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 6.69, residual support = 50.0:
          HN    HIS  122 - HN    LYS+ 121   2.70 +/- 0.04  99.496% * 99.4509% (0.80   6.69  50.01) = 100.000%  kept
          QE    PHE   59 - HN    LYS+ 121   7.04 +/- 0.97   0.491% *  0.0741% (0.20   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+ 121  12.74 +/- 1.42   0.012% *  0.1803% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  22.88 +/- 4.74   0.000% *  0.2947% (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 = 5.87, residual support = 38.5:
          HN    LEU  123 - HN    HIS  122   2.12 +/- 0.13  99.885% * 99.5797% (0.26   5.87  38.53) = 100.000%  kept
          HN    ALA  124 - HN    HIS  122   6.57 +/- 0.11   0.115% *  0.1166% (0.09   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  20.70 +/- 2.28   0.000% *  0.1595% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  27.12 +/- 1.70   0.000% *  0.1443% (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 = 5.87, residual support = 38.5:
          HN    HIS  122 - HN    LEU  123   2.12 +/- 0.13  99.975% * 99.1337% (0.87   5.87  38.53) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   8.91 +/- 0.94   0.023% *  0.2050% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  13.70 +/- 1.24   0.001% *  0.3494% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  24.86 +/- 4.47   0.000% *  0.3119% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 4.09, residual support = 12.3:
      O   HA    LEU  123 - HN    ALA  124   2.28 +/- 0.01  99.992% * 99.5133% (1.00  10.0   4.09  12.29) = 100.000%  kept
          HA    LYS+  99 - HN    ALA  124  15.94 +/- 2.61   0.002% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  15.35 +/- 2.86   0.004% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.50 +/- 0.66   0.001% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  19.11 +/- 1.50   0.000% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  22.08 +/- 3.19   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  17.24 +/- 1.40   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  19.96 +/- 2.41   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  24.86 +/- 2.99   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.81, residual support = 9.23:
      O   HA    ALA  124 - HN    ALA  124   2.71 +/- 0.26  99.994% * 99.5734% (1.00  10.0   1.81   9.23) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  14.84 +/- 0.59   0.004% *  0.0494% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  19.95 +/- 3.14   0.001% *  0.0340% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  24.35 +/- 1.35   0.000% *  0.1063% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  24.99 +/- 3.31   0.000% *  0.0757% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  21.13 +/- 2.43   0.001% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  26.80 +/- 2.77   0.000% *  0.0536% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  33.42 +/- 1.61   0.000% *  0.0882% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.77, residual support = 38.5:
      O   HA    HIS  122 - HN    LEU  123   3.40 +/- 0.04  99.979% * 99.8702% (1.00  10.0   4.77  38.53) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  15.44 +/- 1.98   0.017% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.44 +/- 1.29   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.64 +/- 1.55   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 6.26, residual support = 202.5:
      O   HA    LEU  123 - HN    LEU  123   2.85 +/- 0.05  99.942% * 99.5133% (1.00  10.0   6.26 202.47) = 100.000%  kept
          HA    LYS+  99 - HN    LEU  123  13.88 +/- 2.24   0.018% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  13.60 +/- 2.19   0.019% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LEU  123  13.05 +/- 0.50   0.011% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  16.03 +/- 1.64   0.004% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  15.30 +/- 1.36   0.005% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  20.79 +/- 2.38   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  20.05 +/- 1.54   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  25.75 +/- 2.01   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.52, residual support = 74.0:
          HD2   HIS  122 - HN    HIS  122   3.23 +/- 0.32  99.503% * 97.1487% (0.11   6.52  74.05) =  99.998%  kept
          HE22  GLN  116 - HN    HIS  122   8.75 +/- 2.04   0.494% *  0.3294% (0.12   0.02   0.02) =   0.002%
          HE22  GLN   17 - HN    HIS  122  21.61 +/- 2.49   0.002% *  0.9464% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  27.97 +/- 1.77   0.000% *  0.8376% (0.31   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  30.53 +/- 1.47   0.000% *  0.7379% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (4.88, 7.24, 114.00 ppm):
    3 chemical-shift based assignments, quality = 0.295, support = 5.21, residual support = 74.1:
      O   HA    HIS  122 - HN    HIS  122   2.92 +/- 0.01  99.987% * 99.8131% (0.30  10.0   5.21  74.05) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  13.99 +/- 1.66   0.011% *  0.1192% (0.35   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.62 +/- 1.23   0.002% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.561, support = 5.67, residual support = 233.5:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.76 +/- 0.02  80.506% * 38.4533% (0.49  10.0   6.41 315.73) =  73.807%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.55 +/- 0.02  17.955% * 61.1842% (0.77  10.0   3.57   1.76) =  26.192%  kept
          QB    SER  117 - HN    LYS+ 121   5.50 +/- 0.45   1.532% *  0.0176% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  15.50 +/- 1.36   0.003% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.50 +/- 1.09   0.002% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  19.74 +/- 1.78   0.001% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  24.33 +/- 1.86   0.000% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  23.81 +/- 1.73   0.000% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  26.54 +/- 1.90   0.000% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  22.24 +/- 1.72   0.000% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  24.08 +/- 1.52   0.000% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  26.85 +/- 2.13   0.000% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 14.2:
      O   HA    ALA  120 - HN    ALA  120   2.77 +/- 0.05  95.126% * 99.2369% (0.74  10.0   3.61  14.24) =  99.998%  kept
          HA    LYS+ 121 - HN    ALA  120   5.16 +/- 0.15   2.370% *  0.0465% (0.35   1.0   0.02   1.76) =   0.001%
          QB    SER  117 - HN    ALA  120   5.10 +/- 0.12   2.494% *  0.0168% (0.12   1.0   0.02   5.95) =   0.000%
          HA    LYS+  65 - HN    ALA  120  14.82 +/- 1.01   0.005% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.70 +/- 0.79   0.002% *  0.0556% (0.41   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  19.68 +/- 1.79   0.001% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  21.07 +/- 1.56   0.001% *  0.0652% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  23.60 +/- 1.83   0.000% *  0.0702% (0.52   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  22.35 +/- 1.58   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  26.88 +/- 1.60   0.000% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  25.69 +/- 1.60   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  24.59 +/- 2.05   0.000% *  0.0191% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  27.12 +/- 1.85   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.52, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.318, support = 3.49, residual support = 123.5:
      O   HG2   GLN  116 - HE22  GLN  116   3.11 +/- 0.67  69.272% * 37.6518% (0.25  10.0   3.54 123.52) =  57.777%  kept
      O   HG3   GLN  116 - HE22  GLN  116   3.63 +/- 0.49  30.705% * 62.0774% (0.41  10.0   3.42 123.52) =  42.223%  kept
          HB3   PHE   95 - HE22  GLN  116  13.22 +/- 1.54   0.022% *  0.0466% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE22  GLN  116  24.67 +/- 2.39   0.000% *  0.0735% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HE22  GLN  116  34.23 +/- 2.28   0.000% *  0.1507% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.19, residual support = 12.3:
          HB2   LEU  123 - HN    ALA  124   4.03 +/- 0.36  99.251% * 96.1987% (0.76   4.19  12.29) =  99.997%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.58 +/- 0.20   0.609% *  0.4362% (0.73   0.02   0.02) =   0.003%
          QD    LYS+  65 - HN    ALA  124  13.93 +/- 1.42   0.074% *  0.4591% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA  124  17.78 +/- 2.91   0.034% *  0.5683% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  19.56 +/- 1.92   0.010% *  0.5683% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  23.00 +/- 1.61   0.004% *  0.4810% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  21.94 +/- 0.78   0.004% *  0.2924% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  21.80 +/- 2.57   0.007% *  0.1498% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  21.84 +/- 1.44   0.005% *  0.1189% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  25.41 +/- 1.38   0.002% *  0.2255% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  30.80 +/- 2.62   0.001% *  0.5018% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.17 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.81, residual support = 9.23:
      O   QB    ALA  124 - HN    ALA  124   2.39 +/- 0.33  99.979% * 98.5529% (0.65  10.0   1.81   9.23) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  12.57 +/- 1.26   0.008% *  0.0631% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  15.51 +/- 2.57   0.005% *  0.0952% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  15.41 +/- 1.36   0.002% *  0.0952% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  18.63 +/- 1.94   0.001% *  0.1285% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  17.78 +/- 1.18   0.001% *  0.1459% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  19.04 +/- 1.54   0.001% *  0.1285% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  21.03 +/- 2.54   0.001% *  0.1155% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  19.70 +/- 1.83   0.001% *  0.0819% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  23.48 +/- 3.68   0.001% *  0.0819% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.41 +/- 1.24   0.000% *  0.1508% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  21.59 +/- 2.22   0.000% *  0.1088% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  26.71 +/- 1.36   0.000% *  0.1459% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  23.31 +/- 2.58   0.000% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  24.91 +/- 2.77   0.000% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  31.29 +/- 2.09   0.000% *  0.0468% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.983, support = 3.52, residual support = 23.7:
          HA    ALA  120 - HN    LEU  123   2.69 +/- 0.16  90.215% * 63.9663% (0.99   3.59  24.96) =  94.588%  kept
          HA    LYS+ 121 - HN    LEU  123   3.96 +/- 0.11   9.692% * 34.0639% (0.84   2.27   2.30) =   5.412%  kept
          QB    SER  117 - HN    LEU  123   8.64 +/- 0.39   0.085% *  0.1749% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.80 +/- 1.28   0.005% *  0.2468% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  17.72 +/- 1.92   0.001% *  0.2746% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  18.91 +/- 1.16   0.001% *  0.3222% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  25.72 +/- 1.90   0.000% *  0.3467% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  25.74 +/- 1.47   0.000% *  0.2746% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  28.63 +/- 1.73   0.000% *  0.2746% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  24.49 +/- 1.36   0.000% *  0.0554% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 595 (2.76, 7.46, 121.46 ppm):
    5 chemical-shift based assignments, quality = 0.988, support = 5.21, residual support = 38.0:
          HB3   HIS  122 - HN    LEU  123   3.77 +/- 0.44  93.193% * 83.4705% (0.99   5.26  38.53) =  98.599%  kept
          QE    LYS+ 121 - HN    LEU  123   6.66 +/- 1.00   6.803% * 16.2415% (0.76   1.33   2.30) =   1.401%  kept
          HG2   GLN   30 - HN    LEU  123  23.50 +/- 2.15   0.002% *  0.0890% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  29.90 +/- 1.32   0.000% *  0.1557% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  26.50 +/- 2.02   0.001% *  0.0433% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.82, residual support = 202.5:
          HG    LEU  123 - HN    LEU  123   3.56 +/- 0.25  96.022% * 96.8053% (0.76   5.82 202.47) =  99.993%  kept
          QB    LYS+  66 - HN    LEU  123   7.26 +/- 1.30   2.721% *  0.0861% (0.20   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    LEU  123  10.19 +/- 2.69   0.570% *  0.3775% (0.87   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    LEU  123   8.82 +/- 1.07   0.557% *  0.3326% (0.76   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    LEU  123  12.58 +/- 1.05   0.062% *  0.1951% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  16.48 +/- 1.50   0.012% *  0.3635% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  16.37 +/- 1.64   0.013% *  0.2118% (0.49   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  16.08 +/- 1.95   0.016% *  0.1484% (0.34   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  16.07 +/- 1.87   0.019% *  0.0589% (0.14   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  20.20 +/- 1.74   0.004% *  0.2815% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  22.16 +/- 1.77   0.002% *  0.3326% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  23.44 +/- 1.53   0.001% *  0.3485% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  29.20 +/- 1.39   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  28.82 +/- 1.34   0.000% *  0.2118% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.16 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 6.18, residual support = 202.5:
      O   HB2   LEU  123 - HN    LEU  123   2.43 +/- 0.45  98.139% * 99.1788% (0.76  10.0   6.18 202.47) =  99.998%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.10 +/- 0.17   1.848% *  0.0942% (0.73   1.0   0.02   2.30) =   0.002%
          QD    LYS+  65 - HN    LEU  123  13.94 +/- 1.32   0.007% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  17.03 +/- 1.73   0.002% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  17.44 +/- 2.29   0.001% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  19.21 +/- 1.88   0.001% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.99 +/- 0.72   0.001% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.47 +/- 1.91   0.001% *  0.0324% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.28 +/- 1.48   0.000% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.26 +/- 1.25   0.001% *  0.0257% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  27.32 +/- 2.78   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 0.884, support = 6.69, residual support = 202.5:
          QD1   LEU  123 - HN    LEU  123   2.55 +/- 0.51  89.222% * 85.1519% (0.90   6.69 202.47) =  98.245%  kept
          QD2   LEU  123 - HN    LEU  123   4.14 +/- 0.48   9.740% * 13.9130% (0.15   6.36 202.47) =   1.752%  kept
          QG1   VAL   70 - HN    LEU  123   7.85 +/- 1.64   0.898% *  0.1949% (0.69   0.02   0.02) =   0.002%
          HB3   LEU  104 - HN    LEU  123  10.05 +/- 1.91   0.068% *  0.2813% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   9.07 +/- 1.13   0.062% *  0.0438% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  14.66 +/- 1.90   0.006% *  0.2545% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  15.23 +/- 1.58   0.004% *  0.1607% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (3.45, 7.46, 121.46 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 38.5:
          HB2   HIS  122 - HN    LEU  123   4.20 +/- 0.28  99.917% * 99.3232% (1.00   5.26  38.53) = 100.000%  kept
          HA    LYS+ 112 - HN    LEU  123  14.18 +/- 0.88   0.075% *  0.3384% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HN    LEU  123  21.07 +/- 1.75   0.009% *  0.3384% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.242, support = 6.41, residual support = 34.9:
      O   HA    LYS+ 121 - HN    HIS  122   3.51 +/- 0.03  52.352% * 65.9295% (0.20  10.0   6.57  50.01) =  68.672%  kept
          HA    ALA  120 - HN    HIS  122   3.58 +/- 0.24  47.136% * 33.4050% (0.33   1.0   6.06   1.90) =  31.328%  kept
          QB    SER  117 - HN    HIS  122   7.73 +/- 0.35   0.482% *  0.0290% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    HIS  122  13.60 +/- 1.50   0.018% *  0.1075% (0.33   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  17.52 +/- 1.78   0.004% *  0.1124% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  16.93 +/- 1.15   0.005% *  0.0753% (0.23   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  24.33 +/- 1.84   0.001% *  0.0890% (0.27   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  26.86 +/- 1.85   0.000% *  0.1124% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  22.99 +/- 1.44   0.001% *  0.0397% (0.12   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  24.43 +/- 1.50   0.000% *  0.0567% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  22.63 +/- 1.82   0.001% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  27.52 +/- 2.05   0.000% *  0.0204% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.265, support = 4.78, residual support = 13.9:
          HA    ILE  119 - HN    HIS  122   3.61 +/- 0.31  88.144% * 58.2586% (0.27   4.83  14.91) =  91.387%  kept
          HA    THR  118 - HN    HIS  122   5.16 +/- 0.22  11.798% * 41.0189% (0.21   4.28   2.80) =   8.613%  kept
          HA2   GLY  109 - HN    HIS  122  17.19 +/- 2.24   0.029% *  0.0975% (0.11   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    HIS  122  14.98 +/- 1.36   0.024% *  0.0878% (0.10   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  21.32 +/- 1.11   0.002% *  0.1662% (0.19   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  24.90 +/- 2.18   0.001% *  0.1538% (0.17   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  28.53 +/- 1.31   0.000% *  0.2170% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 5.94, residual support = 74.1:
      O   HB2   HIS  122 - HN    HIS  122   3.49 +/- 0.44  98.321% * 99.5910% (0.11  10.0   5.94  74.05) =  99.999%  kept
          HA    LEU   63 - HN    HIS  122   7.95 +/- 1.58   1.637% *  0.0565% (0.06   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    HIS  122  13.18 +/- 0.81   0.041% *  0.1827% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  26.92 +/- 1.52   0.001% *  0.1698% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.326, support = 6.09, residual support = 73.9:
      O   HB3   HIS  122 - HN    HIS  122   2.71 +/- 0.36  97.380% * 82.9193% (0.33  10.0   6.09  74.05) =  99.451%  kept
          QE    LYS+ 121 - HN    HIS  122   5.68 +/- 0.89   2.619% * 17.0069% (0.21   1.0   6.24  50.01) =   0.549%  kept
          HG2   GLN   30 - HN    HIS  122  22.11 +/- 1.75   0.000% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    HIS  122  28.20 +/- 1.24   0.000% *  0.0581% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.317, support = 7.06, residual support = 48.8:
          HB2   LYS+ 121 - HN    HIS  122   3.45 +/- 0.26  75.339% * 71.8758% (0.33   7.28  50.01) =  89.083%  kept
          HB2   LEU  123 - HN    HIS  122   4.28 +/- 0.52  24.575% * 27.0039% (0.17   5.31  38.53) =  10.917%  kept
          QD    LYS+  65 - HN    HIS  122  13.82 +/- 1.45   0.026% *  0.2015% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  15.77 +/- 1.67   0.010% *  0.1516% (0.26   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  16.92 +/- 2.02   0.007% *  0.2070% (0.35   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  17.62 +/- 1.95   0.007% *  0.1099% (0.19   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.49 +/- 1.37   0.017% *  0.0366% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  17.77 +/- 1.32   0.005% *  0.0858% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.87 +/- 0.73   0.006% *  0.0521% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  17.31 +/- 1.10   0.005% *  0.0322% (0.05   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  25.38 +/- 2.92   0.001% *  0.2070% (0.35   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.50 +/- 1.50   0.003% *  0.0366% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.321, support = 6.49, residual support = 50.0:
          HB3   LYS+ 121 - HN    HIS  122   3.69 +/- 0.28  74.086% * 67.8284% (0.35   6.41  50.01) =  87.518%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.96 +/- 1.02  22.954% * 31.2008% (0.15   7.03  50.01) =  12.473%  kept
          QD    LYS+  66 - HN    HIS  122   8.48 +/- 2.21   2.655% *  0.1728% (0.28   0.02   0.02) =   0.008%
          HG    LEU  104 - HN    HIS  122  10.44 +/- 1.68   0.253% *  0.2115% (0.35   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    HIS  122  14.52 +/- 0.96   0.018% *  0.1992% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  14.54 +/- 1.43   0.022% *  0.0736% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  18.23 +/- 1.40   0.005% *  0.1936% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  20.15 +/- 1.26   0.003% *  0.0600% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  21.33 +/- 2.74   0.003% *  0.0600% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 6.36, residual support = 38.5:
          QD1   LEU  123 - HN    HIS  122   3.37 +/- 0.58  93.596% * 98.4980% (0.31   6.36  38.53) =  99.979%  kept
          QG1   VAL   70 - HN    HIS  122   7.30 +/- 1.15   4.112% *  0.3541% (0.35   0.02   0.02) =   0.016%
          HB3   LEU   63 - HN    HIS  122   7.97 +/- 1.19   0.986% *  0.2311% (0.23   0.02   0.02) =   0.002%
          HB3   LEU  104 - HN    HIS  122   8.59 +/- 2.03   1.183% *  0.1880% (0.19   0.02   0.02) =   0.002%
          QD1   LEU   71 - HN    HIS  122  13.70 +/- 1.59   0.062% *  0.3099% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    HIS  122  14.22 +/- 1.43   0.033% *  0.3564% (0.35   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  14.04 +/- 1.24   0.028% *  0.0626% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.06 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.539, support = 2.87, residual support = 6.11:
          HA    THR  118 - HN    LYS+ 121   3.31 +/- 0.23  74.211% * 31.9591% (0.49   2.24   8.23) =  57.969%  kept
          HA    ILE  119 - HN    LYS+ 121   4.00 +/- 0.14  25.679% * 66.9664% (0.61   3.73   3.18) =  42.030%  kept
          HA2   GLY  109 - HN    LYS+ 121  15.57 +/- 2.48   0.097% *  0.1451% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    LYS+ 121  14.80 +/- 1.57   0.011% *  0.1307% (0.22   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  21.99 +/- 0.91   0.001% *  0.2473% (0.42   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  24.64 +/- 2.30   0.001% *  0.2288% (0.39   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  28.16 +/- 1.57   0.000% *  0.3228% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 6.91, residual support = 315.7:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.29 +/- 0.47  98.255% * 99.3852% (0.76  10.0   6.91 315.73) =  99.999%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.07 +/- 0.66   1.730% *  0.0511% (0.39   1.0   0.02   2.30) =   0.001%
          QD    LYS+  65 - HN    LYS+ 121  15.26 +/- 1.35   0.002% *  0.1014% (0.77   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  15.99 +/- 1.61   0.002% *  0.0763% (0.58   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  18.51 +/- 1.86   0.001% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  16.77 +/- 2.32   0.001% *  0.0553% (0.42   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  14.77 +/- 0.79   0.003% *  0.0262% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.52 +/- 1.62   0.003% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  15.14 +/- 1.16   0.002% *  0.0162% (0.12   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  18.56 +/- 1.42   0.001% *  0.0432% (0.33   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  25.53 +/- 2.99   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  18.45 +/- 1.77   0.001% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.06 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.541, support = 5.25, residual support = 240.0:
          HD2   LYS+ 121 - HN    LYS+ 121   3.31 +/- 0.94  39.736% * 81.4808% (0.64   5.80 315.73) =  75.870%  kept
          QB    ALA  120 - HN    LYS+ 121   2.87 +/- 0.07  60.115% * 17.1293% (0.22   3.51   1.76) =  24.130%  kept
          QD    LYS+  66 - HN    LYS+ 121  10.04 +/- 1.90   0.081% *  0.1441% (0.33   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+ 121   9.66 +/- 0.89   0.055% *  0.0975% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  12.53 +/- 1.50   0.010% *  0.1707% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  16.17 +/- 1.35   0.002% *  0.3041% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  19.82 +/- 1.08   0.001% *  0.3498% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  21.25 +/- 1.00   0.000% *  0.3237% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 315.7:
          HG2   LYS+ 121 - HN    LYS+ 121   3.83 +/- 0.37  93.719% * 99.0693% (0.77   5.86 315.73) =  99.990%  kept
          QG2   VAL  107 - HN    LYS+ 121   8.08 +/- 1.00   1.888% *  0.3470% (0.79   0.02   0.02) =   0.007%
          HG13  ILE  119 - HN    LYS+ 121   6.51 +/- 0.22   4.316% *  0.0693% (0.16   0.02   3.18) =   0.003%
          HG13  ILE  103 - HN    LYS+ 121  13.67 +/- 1.32   0.067% *  0.2265% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  20.35 +/- 1.09   0.005% *  0.2265% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  20.76 +/- 1.46   0.005% *  0.0613% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.10 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.712, support = 2.18, residual support = 2.3:
          QD1   LEU  123 - HN    LYS+ 121   4.46 +/- 0.09  81.994% * 90.0334% (0.72   2.20   2.30) =  98.832%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.36 +/- 0.56  12.071% *  6.9565% (0.12   0.99   2.30) =   1.124%  kept
          HB3   LEU  104 - HN    LYS+ 121   8.98 +/- 2.00   2.248% *  0.9053% (0.79   0.02   0.02) =   0.027%
          QG1   VAL   70 - HN    LYS+ 121   9.17 +/- 1.03   1.372% *  0.6274% (0.55   0.02   0.02) =   0.012%
          HB3   LEU   63 - HN    LYS+ 121   9.25 +/- 1.48   2.198% *  0.1409% (0.12   0.02   0.02) =   0.004%
          QD1   LEU   71 - HN    LYS+ 121  15.25 +/- 1.36   0.057% *  0.8192% (0.72   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    LYS+ 121  15.32 +/- 1.34   0.058% *  0.5171% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.29 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.04, residual support = 55.9:
          HB    ILE  119 - HN    ALA  120   2.62 +/- 0.09  99.967% * 97.4783% (0.90   5.04  55.94) = 100.000%  kept
          HB    VAL  108 - HN    ALA  120  13.99 +/- 1.19   0.006% *  0.3299% (0.77   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ALA  120  11.91 +/- 1.01   0.014% *  0.1219% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ALA  120  14.65 +/- 2.23   0.006% *  0.2395% (0.56   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  15.04 +/- 2.31   0.005% *  0.1770% (0.41   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  20.64 +/- 2.18   0.001% *  0.3940% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  19.86 +/- 1.60   0.001% *  0.3018% (0.71   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  22.59 +/- 1.44   0.000% *  0.3871% (0.90   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  24.20 +/- 1.98   0.000% *  0.3736% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  19.72 +/- 1.28   0.001% *  0.0985% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  20.88 +/- 1.49   0.000% *  0.0985% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 14.2:
      O   QB    ALA  120 - HN    ALA  120   2.09 +/- 0.06  99.092% * 99.1734% (0.49  10.0   4.02  14.24) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.25 +/- 1.18   0.816% *  0.0992% (0.49   1.0   0.02   1.76) =   0.001%
          HG    LEU  115 - HN    ALA  120   7.99 +/- 1.12   0.051% *  0.0992% (0.49   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   9.14 +/- 1.57   0.028% *  0.0373% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  12.47 +/- 3.39   0.010% *  0.0291% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  14.10 +/- 1.71   0.001% *  0.1441% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  15.26 +/- 1.02   0.001% *  0.1143% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.61 +/- 1.02   0.000% *  0.1740% (0.85   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  21.71 +/- 1.18   0.000% *  0.1295% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 55.9:
          QG2   ILE  119 - HN    ALA  120   3.18 +/- 0.24  99.457% * 96.6193% (0.49   5.63  55.94) =  99.997%  kept
          QD1   LEU   67 - HN    ALA  120  10.42 +/- 2.89   0.385% *  0.5220% (0.74   0.02   0.02) =   0.002%
          QD2   LEU   40 - HN    ALA  120  10.70 +/- 1.56   0.091% *  0.4982% (0.71   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    ALA  120  12.08 +/- 1.03   0.041% *  0.5846% (0.83   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  14.09 +/- 1.32   0.016% *  0.4734% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  16.32 +/- 1.13   0.006% *  0.5445% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  19.70 +/- 1.44   0.002% *  0.6291% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  20.13 +/- 1.02   0.002% *  0.1290% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 2.91, residual support = 16.1:
      O   QB    SER  117 - HN    SER  117   2.16 +/- 0.08  99.899% * 97.2780% (0.25  10.0   2.91  16.07) = 100.000%  kept
          HA    ALA  120 - HN    SER  117   7.41 +/- 0.37   0.067% *  0.3690% (0.95   1.0   0.02   5.95) =   0.000%
          HA    LYS+ 121 - HN    SER  117   8.51 +/- 0.55   0.032% *  0.2209% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER  117  14.98 +/- 0.82   0.001% *  0.2524% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.61 +/- 0.76   0.000% *  0.3601% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  18.20 +/- 1.68   0.000% *  0.1331% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  19.71 +/- 1.60   0.000% *  0.1899% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  22.10 +/- 1.66   0.000% *  0.2981% (0.76   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  22.79 +/- 1.57   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  25.13 +/- 1.68   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  24.67 +/- 1.98   0.000% *  0.0683% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  27.57 +/- 1.43   0.000% *  0.0772% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.37, support = 5.47, residual support = 28.3:
          HG3   GLN  116 - HN    SER  117   5.18 +/- 0.31  38.489% * 69.2318% (0.49   5.34  28.25) =  59.540%  kept
          HG2   GLN  116 - HN    SER  117   4.79 +/- 0.57  60.735% * 29.8123% (0.20   5.66  28.25) =  40.458%  kept
          HB3   PHE   95 - HN    SER  117  10.36 +/- 0.95   0.762% *  0.1327% (0.25   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    SER  117  20.84 +/- 2.96   0.013% *  0.3014% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  32.22 +/- 1.25   0.001% *  0.5217% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.42 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.9, residual support = 28.3:
          HB2   GLN  116 - HN    SER  117   3.20 +/- 0.20  99.922% * 98.7742% (0.97   4.90  28.25) = 100.000%  kept
          HB3   PHE   97 - HN    SER  117  12.38 +/- 1.54   0.041% *  0.4181% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    SER  117  12.55 +/- 1.53   0.036% *  0.3036% (0.73   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  22.83 +/- 1.86   0.001% *  0.3750% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  25.02 +/- 1.28   0.001% *  0.1291% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.06 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.4, residual support = 123.5:
          HG2   GLN  116 - HN    GLN  116   3.41 +/- 0.43  99.714% * 99.4352% (0.73   7.40 123.52) =  99.999%  kept
          HB3   PHE   95 - HN    GLN  116  10.00 +/- 1.36   0.286% *  0.2962% (0.80   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HN    GLN  116  31.74 +/- 1.67   0.000% *  0.2686% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.07 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.62, residual support = 123.5:
      O   HB2   GLN  116 - HN    GLN  116   2.08 +/- 0.09  99.988% * 99.6757% (0.98  10.0   7.62 123.52) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116  10.42 +/- 1.50   0.010% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.30 +/- 1.87   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  24.04 +/- 2.10   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  23.83 +/- 1.39   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  26.79 +/- 1.51   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 = 0.797, support = 7.3, residual support = 98.0:
          HB2   LEU  115 - HN    GLN  116   3.21 +/- 0.35  92.039% * 68.5727% (0.80   7.41 100.94) =  97.069%  kept
          QB    GLU- 114 - HN    GLN  116   5.22 +/- 0.31   6.242% * 30.5176% (0.69   3.84   0.27) =   2.930%  kept
          HB2   LYS+ 111 - HN    GLN  116   6.82 +/- 0.80   1.577% *  0.0357% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    GLN  116  10.77 +/- 1.38   0.118% *  0.1931% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  17.57 +/- 2.60   0.006% *  0.1931% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLN  116  15.64 +/- 1.93   0.011% *  0.0950% (0.41   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  21.50 +/- 1.32   0.001% *  0.1767% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  17.89 +/- 1.54   0.004% *  0.0458% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  21.86 +/- 1.57   0.001% *  0.0458% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  22.17 +/- 1.34   0.001% *  0.0458% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  30.96 +/- 1.59   0.000% *  0.0789% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.07 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.852, support = 8.3, residual support = 100.9:
          HG    LEU  115 - HN    GLN  116   3.58 +/- 1.06  55.805% * 42.8867% (0.73   8.41 100.94) =  50.567%  kept
          HB3   LEU  115 - HN    GLN  116   3.78 +/- 0.64  41.473% * 56.4049% (0.98   8.19 100.94) =  49.427%  kept
          QB    ALA  120 - HN    GLN  116   6.33 +/- 0.59   2.615% *  0.1020% (0.73   0.02   0.30) =   0.006%
          QG    LYS+  66 - HN    GLN  116  11.20 +/- 1.41   0.076% *  0.0527% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  15.76 +/- 2.92   0.012% *  0.1405% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  16.44 +/- 1.74   0.006% *  0.1377% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  17.73 +/- 1.72   0.004% *  0.0684% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  16.52 +/- 2.00   0.006% *  0.0313% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  19.83 +/- 1.29   0.002% *  0.0795% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  22.59 +/- 2.28   0.001% *  0.0965% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.61, residual support = 100.9:
          QD1   LEU  115 - HN    GLN  116   3.54 +/- 1.02  99.979% * 99.6303% (0.49   7.61 100.94) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  16.75 +/- 1.28   0.021% *  0.3697% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 9.99, residual support = 100.9:
          QD2   LEU  115 - HN    GLN  116   2.74 +/- 0.74  93.667% * 98.5887% (0.57   9.99 100.94) =  99.979%  kept
          QD1   LEU   63 - HN    GLN  116   7.31 +/- 1.44   3.978% *  0.3125% (0.90   0.02   0.02) =   0.013%
          QD2   LEU   63 - HN    GLN  116   8.24 +/- 1.51   2.318% *  0.2911% (0.84   0.02   0.02) =   0.007%
          QD1   LEU  104 - HN    GLN  116  14.01 +/- 1.63   0.017% *  0.1075% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  17.68 +/- 1.00   0.003% *  0.3125% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  15.86 +/- 1.86   0.010% *  0.0538% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  16.76 +/- 1.28   0.004% *  0.0969% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  20.76 +/- 1.47   0.001% *  0.1833% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  21.31 +/- 1.78   0.001% *  0.0538% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.714, support = 1.43, residual support = 14.1:
          QD1   ILE  119 - HN    GLN  116   5.08 +/- 0.67  69.540% * 89.2911% (0.73   1.47  14.58) =  96.615%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.26 +/- 0.99  28.942% *  7.4284% (0.38   0.24   0.02) =   3.345%  kept
          QG2   VAL  108 - HN    GLN  116   9.98 +/- 0.40   1.368% *  1.6694% (1.00   0.02   0.02) =   0.036%
          HB2   LEU  104 - HN    GLN  116  14.93 +/- 1.82   0.151% *  1.6111% (0.97   0.02   0.02) =   0.004%
    Distance limit 4.74 A violated in 0 structures by 0.21 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   3.31 +/- 0.31  99.951% * 94.6610% (0.90   0.75   2.24) =  99.999%  kept
          HB2   HIS  122 - HN    LEU  115  13.34 +/- 0.92   0.029% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  14.79 +/- 1.34   0.020% *  2.5243% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.21 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 = 5.21, residual support = 100.9:
          HB2   GLN  116 - HN    LEU  115   4.63 +/- 0.13  98.795% * 95.7986% (0.22   5.21 100.94) =  99.987%  kept
          HB2   PRO   58 - HN    LEU  115  11.43 +/- 1.60   0.623% *  1.3216% (0.80   0.02   0.02) =   0.009%
          HG2   PRO   52 - HN    LEU  115  13.36 +/- 2.02   0.278% *  0.7399% (0.45   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    LEU  115  13.10 +/- 2.04   0.292% *  0.5630% (0.34   0.02   0.02) =   0.002%
          HB2   GLU- 100 - HN    LEU  115  24.17 +/- 2.07   0.006% *  0.2547% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    LEU  115  23.84 +/- 1.03   0.006% *  0.2547% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU  115  31.62 +/- 1.44   0.001% *  1.0677% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.44 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.798, support = 7.31, residual support = 222.4:
      O   HB2   LEU  115 - HN    LEU  115   2.21 +/- 0.39  86.019% * 82.3773% (0.80  10.0   7.38 227.98) =  97.350%  kept
          QB    GLU- 114 - HN    LEU  115   3.27 +/- 0.35  11.199% * 17.2179% (0.69   1.0   4.87  16.14) =   2.649%  kept
          HB2   LYS+ 111 - HN    LEU  115   4.61 +/- 1.04   2.773% *  0.0159% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    LEU  115  11.41 +/- 1.38   0.006% *  0.0859% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.79 +/- 1.97   0.001% *  0.0423% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  19.20 +/- 2.48   0.000% *  0.0859% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.45 +/- 1.10   0.000% *  0.0786% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  18.21 +/- 1.35   0.001% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  22.52 +/- 1.49   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  23.02 +/- 1.19   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  29.97 +/- 1.44   0.000% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.959, support = 7.49, residual support = 228.0:
      O   HB3   LEU  115 - HN    LEU  115   3.01 +/- 0.41  74.734% * 77.9601% (0.98  10.0   7.49 227.98) =  91.496%  kept
          HG    LEU  115 - HN    LEU  115   3.88 +/- 0.68  25.024% * 21.6387% (0.73   1.0   7.49 227.98) =   8.503%  kept
          QB    ALA  120 - HN    LEU  115   8.09 +/- 0.39   0.213% *  0.0578% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  12.95 +/- 1.54   0.017% *  0.0299% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  17.01 +/- 2.96   0.004% *  0.0795% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  16.76 +/- 1.69   0.003% *  0.0780% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  18.26 +/- 1.63   0.002% *  0.0387% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  19.51 +/- 1.10   0.001% *  0.0450% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  17.73 +/- 2.07   0.002% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  22.14 +/- 2.44   0.001% *  0.0546% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.527, support = 1.82, residual support = 8.47:
          QG2   VAL  107 - HN    LEU  115   3.65 +/- 1.62  81.878% * 62.9013% (0.53   1.85   8.50) =  97.503%  kept
          HG13  ILE  119 - HN    LEU  115   6.70 +/- 1.27   3.079% * 31.3715% (0.73   0.67   9.06) =   1.829%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.11 +/- 1.32  14.876% *  2.3639% (0.15   0.24   2.24) =   0.666%  kept
          HG2   LYS+ 121 - HN    LEU  115  11.49 +/- 1.16   0.153% *  0.9874% (0.76   0.02   0.02) =   0.003%
          QB    ALA   20 - HN    LEU  115  19.56 +/- 0.98   0.003% *  1.2891% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  15.79 +/- 1.28   0.010% *  0.1993% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  23.33 +/- 1.65   0.001% *  0.8875% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.07 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 9.04, residual support = 228.0:
          QD2   LEU  115 - HN    LEU  115   3.75 +/- 0.49  97.735% * 98.8208% (0.65   9.04 227.98) =  99.997%  kept
          QD1   LEU   63 - HN    LEU  115   7.80 +/- 1.24   2.110% *  0.1043% (0.31   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU  115  14.27 +/- 1.61   0.046% *  0.3032% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  13.70 +/- 2.10   0.080% *  0.1153% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  19.72 +/- 2.47   0.009% *  0.3198% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  19.62 +/- 1.50   0.007% *  0.2322% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  17.26 +/- 0.87   0.013% *  0.1043% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.38, residual support = 228.0:
          QD1   LEU  115 - HN    LEU  115   3.70 +/- 0.48  99.977% * 99.6809% (0.80   7.38 227.98) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  15.57 +/- 1.06   0.023% *  0.3191% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.545, support = 6.74, residual support = 138.2:
      O   HB    ILE  103 - HN    ILE  103   2.11 +/- 0.07  87.582% * 65.0404% (0.53  10.0   6.72 138.16) =  93.102%  kept
          HG12  ILE  103 - HN    ILE  103   2.97 +/- 0.19  12.325% * 34.2402% (0.80   1.0   6.92 138.16) =   6.897%  kept
          HB    VAL   41 - HN    ILE  103   8.00 +/- 1.13   0.039% *  0.0800% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   7.84 +/- 0.71   0.040% *  0.0245% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   9.41 +/- 0.47   0.012% *  0.0554% (0.45   1.0   0.02   3.18) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.22 +/- 0.58   0.001% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  19.79 +/- 1.85   0.000% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  17.69 +/- 1.09   0.000% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  19.65 +/- 2.03   0.000% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.47 +/- 1.68   0.000% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.10 +/- 1.10   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  22.74 +/- 2.39   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  24.10 +/- 1.73   0.000% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  27.50 +/- 1.29   0.000% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.22, residual support = 138.2:
          HG13  ILE  103 - HN    ILE  103   4.02 +/- 0.19  99.487% * 98.5416% (0.65   6.22 138.16) =  99.999%  kept
          HG2   LYS+ 121 - HN    ILE  103  13.29 +/- 1.62   0.105% *  0.4729% (0.97   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    ILE  103  13.00 +/- 0.79   0.099% *  0.4857% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  11.01 +/- 1.11   0.288% *  0.0858% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  19.74 +/- 0.55   0.007% *  0.3170% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  18.05 +/- 1.62   0.014% *  0.0970% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.19 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.839, support = 6.11, residual support = 138.2:
          QG2   ILE  103 - HN    ILE  103   3.51 +/- 0.09  49.157% * 70.5459% (1.00   6.29 138.16) =  70.847%  kept
          QD1   ILE  103 - HN    ILE  103   3.49 +/- 0.53  50.035% * 28.5167% (0.45   5.67 138.16) =  29.150%  kept
          QD2   LEU   40 - HN    ILE  103   7.05 +/- 0.39   0.758% *  0.2164% (0.97   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    ILE  103  14.28 +/- 2.58   0.021% *  0.2198% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  13.70 +/- 0.98   0.016% *  0.1269% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  15.65 +/- 1.41   0.007% *  0.0623% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  16.76 +/- 1.21   0.004% *  0.0922% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  21.25 +/- 0.65   0.001% *  0.2198% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.446, support = 7.39, residual support = 216.6:
          HG    LEU  104 - HN    LEU  104   3.26 +/- 0.37  96.102% * 86.0409% (0.45   7.43 217.72) =  99.505%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.11 +/- 0.62   3.355% * 12.2144% (0.69   0.69   0.02) =   0.493%
          HB3   LYS+ 121 - HN    LEU  104   8.48 +/- 1.25   0.525% *  0.2317% (0.45   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    LEU  104  17.01 +/- 1.62   0.007% *  0.5121% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LEU  104  16.91 +/- 2.50   0.007% *  0.2925% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  18.43 +/- 0.72   0.004% *  0.3134% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  22.55 +/- 1.50   0.001% *  0.3949% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.256, support = 7.18, residual support = 166.5:
      O   HB2   LEU  104 - HN    LEU  104   2.51 +/- 0.18  54.782% * 65.7339% (0.22  10.0   7.39 217.72) =  71.653%  kept
          QG2   ILE  103 - HN    LEU  104   2.65 +/- 0.41  42.540% * 33.4800% (0.34   1.0   6.65  36.89) =  28.339%  kept
          QD2   LEU   40 - HN    LEU  104   4.55 +/- 0.76   2.647% *  0.1437% (0.49   1.0   0.02   0.02) =   0.008%
          QD1   LEU   67 - HN    LEU  104  11.35 +/- 2.87   0.020% *  0.1324% (0.45   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  11.58 +/- 2.13   0.009% *  0.1437% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  15.68 +/- 0.93   0.001% *  0.2926% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  19.07 +/- 0.54   0.000% *  0.0736% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.778, support = 7.33, residual support = 175.7:
          QD2   LEU  104 - HN    LEU  104   3.23 +/- 0.79  68.591% * 64.3880% (0.80   7.90 217.72) =  79.913%  kept
          QD1   LEU   98 - HN    LEU  104   4.04 +/- 0.68  31.384% * 35.3720% (0.69   5.06   8.47) =  20.087%  kept
          QD1   ILE   19 - HN    LEU  104  15.35 +/- 0.92   0.007% *  0.1318% (0.65   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  15.52 +/- 1.36   0.009% *  0.0629% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  14.95 +/- 0.97   0.009% *  0.0453% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 7.77, residual support = 58.2:
          HB2   PHE   97 - HN    ASP- 105   2.34 +/- 0.34  98.458% * 98.8645% (0.69   7.77  58.24) =  99.998%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.87 +/- 0.99   1.298% *  0.0924% (0.25   0.02  20.34) =   0.001%
          QE    LYS+  99 - HN    ASP- 105   7.49 +/- 0.83   0.187% *  0.3322% (0.90   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    ASP- 105   9.03 +/- 1.13   0.051% *  0.1523% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  15.20 +/- 0.76   0.002% *  0.2396% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  17.46 +/- 1.46   0.001% *  0.2690% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  14.22 +/- 1.38   0.003% *  0.0501% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 5.62, residual support = 58.2:
          HB3   PHE   97 - HN    ASP- 105   2.86 +/- 0.44  99.948% * 98.7173% (0.90   5.62  58.24) = 100.000%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.60 +/- 0.67   0.040% *  0.3919% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  14.75 +/- 1.35   0.007% *  0.3842% (0.98   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  17.19 +/- 0.80   0.003% *  0.1090% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  18.84 +/- 1.38   0.002% *  0.1757% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  21.76 +/- 1.24   0.001% *  0.2219% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.7, residual support = 41.7:
      O   HB2   ASP- 105 - HN    ASP- 105   3.74 +/- 0.25  99.446% * 99.3924% (0.80  10.0   4.70  41.73) = 100.000%  kept
          HG12  ILE  119 - HN    ASP- 105  10.49 +/- 1.79   0.347% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP- 105  12.79 +/- 0.79   0.070% *  0.0604% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.76 +/- 0.51   0.069% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  14.03 +/- 0.54   0.038% *  0.0345% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  18.79 +/- 0.81   0.007% *  0.1241% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  21.14 +/- 0.68   0.003% *  0.1217% (0.98   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  17.38 +/- 1.61   0.011% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  20.39 +/- 1.27   0.004% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  22.16 +/- 0.78   0.003% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  22.45 +/- 1.74   0.002% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.768, support = 4.54, residual support = 41.4:
      O   HB3   ASP- 105 - HN    ASP- 105   2.90 +/- 0.36  92.609% * 76.7250% (0.76  10.0   4.54  41.73) =  98.402%  kept
          QB    LYS+ 106 - HN    ASP- 105   4.93 +/- 0.28   5.117% * 22.5187% (0.98   1.0   4.58  20.34) =   1.596%  kept
          HB    ILE  103 - HN    ASP- 105   5.93 +/- 0.63   2.241% *  0.0690% (0.69   1.0   0.02   3.18) =   0.002%
          HG3   PRO   68 - HN    ASP- 105  15.37 +/- 2.34   0.009% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP- 105  14.76 +/- 0.69   0.007% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  16.19 +/- 0.82   0.004% *  0.0871% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  16.22 +/- 0.54   0.004% *  0.0871% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  16.55 +/- 0.88   0.003% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.22 +/- 0.70   0.003% *  0.0377% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  22.89 +/- 1.65   0.000% *  0.0969% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  23.04 +/- 1.07   0.000% *  0.0927% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  23.26 +/- 0.94   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  19.52 +/- 0.92   0.001% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.503, support = 5.92, residual support = 35.0:
          HG    LEU  104 - HN    ASP- 105   4.42 +/- 0.61  66.438% * 51.2968% (0.45   6.52  39.43) =  76.871%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.52 +/- 0.36  21.539% * 47.5186% (0.69   3.94  20.34) =  23.086%  kept
          HB3   LYS+ 121 - HN    ASP- 105   6.59 +/- 1.25  11.909% *  0.1573% (0.45   0.02   0.02) =   0.042%
          HB3   LYS+ 111 - HN    ASP- 105  14.90 +/- 2.61   0.072% *  0.1986% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    ASP- 105  18.07 +/- 1.64   0.020% *  0.3477% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  17.63 +/- 0.82   0.019% *  0.2128% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  22.44 +/- 1.36   0.005% *  0.2681% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.248, support = 5.63, residual support = 31.6:
          HB2   LEU  104 - HN    ASP- 105   2.54 +/- 0.40  67.559% * 60.7235% (0.22   6.48  39.43) =  78.312%  kept
          QG2   ILE  103 - HN    ASP- 105   3.22 +/- 0.57  30.659% * 37.0342% (0.34   2.58   3.18) =  21.674%  kept
          QD2   LEU   40 - HN    ASP- 105   4.89 +/- 0.63   1.682% *  0.4100% (0.49   0.02   0.02) =   0.013%
          QD1   LEU   67 - HN    ASP- 105  10.69 +/- 3.19   0.063% *  0.3776% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    ASP- 105   9.95 +/- 2.06   0.035% *  0.4100% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  15.53 +/- 0.87   0.001% *  0.8348% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  18.45 +/- 0.61   0.000% *  0.2100% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 3.8, residual support = 20.3:
          HB2   ASP- 105 - HN    LYS+ 106   2.79 +/- 0.33  99.658% * 97.8078% (0.98   3.80  20.34) =  99.999%  kept
          HG12  ILE  119 - HN    LYS+ 106   9.19 +/- 1.28   0.145% *  0.2161% (0.41   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    LYS+ 106   8.32 +/- 0.61   0.188% *  0.1622% (0.31   0.02   2.18) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  15.58 +/- 0.84   0.005% *  0.4713% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  17.03 +/- 0.77   0.002% *  0.4017% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  21.67 +/- 0.87   0.001% *  0.4390% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  23.44 +/- 0.59   0.000% *  0.4208% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  18.32 +/- 1.14   0.002% *  0.0811% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.966, support = 5.31, residual support = 128.0:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.19 +/- 0.21  67.039% * 86.6021% (0.98  10.0   5.42 135.68) =  93.322%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.68 +/- 0.45  32.627% * 12.7323% (0.76   1.0   3.77  20.34) =   6.678%  kept
          HB    ILE  103 - HN    LYS+ 106   7.92 +/- 0.54   0.302% *  0.0607% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+ 106  13.70 +/- 0.76   0.011% *  0.0766% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.19 +/- 0.60   0.009% *  0.0332% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  17.69 +/- 2.42   0.003% *  0.0572% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  19.11 +/- 0.55   0.001% *  0.0766% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  18.99 +/- 0.66   0.001% *  0.0642% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  20.59 +/- 0.91   0.001% *  0.0816% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.83 +/- 0.58   0.002% *  0.0465% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  21.98 +/- 1.70   0.001% *  0.0853% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  21.09 +/- 0.83   0.001% *  0.0642% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  18.24 +/- 1.07   0.002% *  0.0197% (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 650 (0.25, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 2.63, residual support = 2.85:
          QG2   THR  118 - HN    LYS+ 106   4.31 +/- 1.36 100.000% *100.0000% (0.53   2.63   2.85) = 100.000%  kept
    Distance limit 4.57 A violated in 2 structures by 0.36 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 45.5:
          HB2   PHE   95 - HN    VAL  107   2.51 +/- 0.54 100.000% *100.0000% (1.00   2.31  45.55) = 100.000%  kept
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 58.2:
      O   HB    VAL  107 - HN    VAL  107   2.37 +/- 0.16  99.973% * 99.7350% (0.99  10.0   3.33  58.23) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107  10.61 +/- 0.88   0.017% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  11.64 +/- 1.67   0.009% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  19.82 +/- 0.72   0.000% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  18.81 +/- 1.32   0.001% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  22.92 +/- 0.66   0.000% *  0.0199% (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 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.526, support = 5.16, residual support = 26.8:
          QB    LYS+ 106 - HN    VAL  107   3.20 +/- 0.25  96.359% * 95.3589% (0.53   5.16  26.83) =  99.992%  kept
          HB3   ASP- 105 - HN    VAL  107   5.91 +/- 0.48   3.298% *  0.1753% (0.25   0.02   0.02) =   0.006%
          HB    ILE   56 - HN    VAL  107  10.18 +/- 0.83   0.106% *  0.6490% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  11.00 +/- 0.66   0.073% *  0.6305% (0.90   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    VAL  107  10.14 +/- 0.86   0.128% *  0.1391% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  15.23 +/- 0.97   0.009% *  0.5105% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  17.12 +/- 0.46   0.005% *  0.6891% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  20.09 +/- 0.48   0.002% *  0.6968% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  17.60 +/- 0.85   0.004% *  0.2890% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  19.26 +/- 1.42   0.003% *  0.3422% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  18.31 +/- 0.50   0.003% *  0.2398% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  17.16 +/- 0.73   0.004% *  0.1565% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  17.33 +/- 2.24   0.005% *  0.1231% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.84, residual support = 58.2:
          QG1   VAL  107 - HN    VAL  107   3.01 +/- 0.41  99.565% * 90.6145% (0.20   3.84  58.23) =  99.992%  kept
          HG13  ILE  119 - HN    VAL  107   8.96 +/- 1.21   0.215% *  2.3622% (0.99   0.02   0.02) =   0.006%
          HG2   LYS+ 121 - HN    VAL  107  10.26 +/- 1.20   0.174% *  0.5943% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL  107  13.02 +/- 1.71   0.028% *  1.4455% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  15.90 +/- 0.87   0.006% *  2.3780% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  16.28 +/- 2.47   0.006% *  1.1601% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  16.42 +/- 0.63   0.005% *  1.4455% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 4.08, residual support = 62.1:
      O   HB    VAL  108 - HN    VAL  108   2.90 +/- 0.47  99.620% * 99.4150% (0.95  10.0   4.08  62.13) = 100.000%  kept
          HB2   PRO   93 - HN    VAL  108   8.75 +/- 1.48   0.285% *  0.0994% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    VAL  108  11.20 +/- 0.96   0.051% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  13.34 +/- 3.04   0.025% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  16.87 +/- 0.84   0.004% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  14.50 +/- 1.32   0.012% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  20.57 +/- 0.57   0.001% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.41 +/- 0.70   0.001% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  22.48 +/- 0.93   0.001% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  21.86 +/- 1.47   0.001% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  29.37 +/- 2.05   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  37.67 +/- 2.94   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 15.3:
          QG2   VAL  107 - HN    VAL  108   3.34 +/- 0.21  98.407% * 92.9875% (0.28   3.64  15.34) =  99.984%  kept
          HG2   LYS+ 121 - HN    VAL  108  11.78 +/- 2.28   1.390% *  0.8950% (0.49   0.02   0.02) =   0.014%
          HG13  ILE  119 - HN    VAL  108  10.68 +/- 0.96   0.112% *  1.7394% (0.95   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    VAL  108  11.89 +/- 1.59   0.079% *  0.6272% (0.34   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    VAL  108  18.81 +/- 0.81   0.003% *  1.5950% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  19.34 +/- 1.09   0.003% *  1.6974% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  18.08 +/- 2.48   0.005% *  0.4585% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.1, residual support = 15.3:
          QG1   VAL  107 - HN    VAL  108   3.96 +/- 0.24  99.631% * 95.2124% (0.25   4.10  15.34) =  99.995%  kept
          HG3   LYS+ 112 - HN    VAL  108  11.51 +/- 1.11   0.222% *  1.1292% (0.61   0.02   0.02) =   0.003%
          HG    LEU   63 - HN    VAL  108  12.55 +/- 1.53   0.129% *  1.7967% (0.97   0.02   0.02) =   0.002%
          QG2   VAL   24 - HN    VAL  108  17.84 +/- 2.07   0.019% *  1.8617% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.55 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 27.2:
      O   HA    VAL   75 - HN    ASP-  76   2.20 +/- 0.02  99.998% * 99.6957% (0.69  10.0   4.64  27.25) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  14.24 +/- 0.80   0.001% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  16.57 +/- 1.25   0.001% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  21.56 +/- 1.42   0.000% *  0.0706% (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 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.7, residual support = 36.1:
      O   HB2   ASP-  76 - HN    ASP-  76   2.46 +/- 0.38  99.649% * 99.7699% (1.00  10.0   3.70  36.10) = 100.000%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.84 +/- 0.58   0.343% *  0.0724% (0.73   1.0   0.02   3.07) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  12.89 +/- 0.74   0.006% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.04 +/- 1.54   0.002% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  23.07 +/- 0.46   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.06 +/- 0.64   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.278, support = 3.75, residual support = 36.1:
      O   HB3   ASP-  76 - HN    ASP-  76   3.00 +/- 0.46  99.687% * 97.9021% (0.28  10.0   3.75  36.10) =  99.999%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.77 +/- 0.21   0.211% *  0.1579% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  13.29 +/- 0.71   0.020% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  76  12.23 +/- 1.18   0.029% *  0.2278% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP-  76  12.26 +/- 0.51   0.029% *  0.1994% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP-  76  14.85 +/- 1.53   0.012% *  0.3054% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  17.36 +/- 1.63   0.004% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  19.37 +/- 0.95   0.002% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  17.23 +/- 1.32   0.004% *  0.1201% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  20.50 +/- 0.78   0.001% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  23.59 +/- 1.07   0.001% *  0.0784% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 27.2:
          QG1   VAL   75 - HN    ASP-  76   2.93 +/- 0.20  99.994% * 99.7156% (0.69   4.97  27.25) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  15.68 +/- 1.82   0.006% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 27.2:
          QG2   VAL   75 - HN    ASP-  76   3.85 +/- 0.29  99.871% * 99.6074% (0.98   4.64  27.25) =  99.999%  kept
          QG2   VAL   42 - HN    ASP-  76  12.10 +/- 1.04   0.129% *  0.3926% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.19:
      O   HA2   GLY  109 - HN    GLY  109   2.55 +/- 0.21  99.620% * 99.3336% (0.43  10.0   2.20   9.19) =  99.999%  kept
          HA    THR  118 - HN    GLY  109  11.70 +/- 1.86   0.356% *  0.1522% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    GLY  109  13.36 +/- 1.24   0.011% *  0.1693% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    GLY  109  13.61 +/- 2.57   0.010% *  0.1341% (0.58   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  16.72 +/- 1.94   0.002% *  0.1620% (0.70   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  15.78 +/- 1.46   0.002% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.22, 8.60, 114.88 ppm):
    8 chemical-shift based assignments, quality = 0.68, support = 0.0199, residual support = 0.0199:
          HG3   LYS+ 111 - HN    GLY  109   7.03 +/- 1.69  70.207% * 20.3763% (0.70   0.02   0.02) =  78.519%  kept
          HG12  ILE   89 - HN    GLY  109  10.71 +/- 3.64  14.624% * 21.3024% (0.73   0.02   0.02) =  17.099%  kept
          HD2   LYS+ 112 - HN    GLY  109  11.18 +/- 1.90  13.461% *  4.3683% (0.15   0.02   0.02) =   3.227%  kept
          HG2   LYS+  74 - HN    GLY  109  14.77 +/- 1.73   1.154% * 13.3882% (0.46   0.02   0.02) =   0.848%  kept
          HG    LEU   71 - HN    GLY  109  21.44 +/- 1.17   0.147% * 14.2794% (0.49   0.02   0.02) =   0.116%
          HG3   LYS+  99 - HN    GLY  109  21.48 +/- 0.65   0.137% * 12.4970% (0.43   0.02   0.02) =   0.094%
          HB3   LEU   71 - HN    GLY  109  20.74 +/- 0.93   0.167% *  5.5041% (0.19   0.02   0.02) =   0.050%
          HG13  ILE   19 - HN    GLY  109  22.24 +/- 1.21   0.103% *  8.2844% (0.28   0.02   0.02) =   0.047%
    Distance limit 4.50 A violated in 16 structures by 1.91 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 = 7.64:
          QG1   VAL  108 - HN    GLY  109   2.58 +/- 0.32  99.987% * 98.9381% (0.65   3.09   7.64) = 100.000%  kept
          QD1   LEU   40 - HN    GLY  109  14.17 +/- 0.28   0.005% *  0.5069% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    GLY  109  14.56 +/- 1.74   0.005% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  17.35 +/- 2.35   0.003% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 668 (3.69, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 6.4:
      O   HA2   GLY  109 - HN    ALA  110   3.00 +/- 0.33  99.873% * 99.3336% (0.57  10.0   2.20   6.40) = 100.000%  kept
          HA    THR  118 - HN    ALA  110  11.78 +/- 1.46   0.083% *  0.1522% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  13.08 +/- 1.31   0.020% *  0.1693% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  15.37 +/- 2.79   0.013% *  0.1341% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  16.76 +/- 2.34   0.005% *  0.1620% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  16.93 +/- 2.33   0.005% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.233, support = 0.738, residual support = 6.42:
          HG2   PRO   93 - HN    ALA  110   4.51 +/- 2.17  82.794% * 54.6666% (0.22   0.75   6.53) =  98.330%  kept
          HB3   PRO   52 - HN    ALA  110   7.59 +/- 3.58  10.050% *  6.4182% (0.98   0.02   0.02) =   1.401%  kept
          QB    LYS+ 106 - HN    ALA  110   8.85 +/- 0.83   5.526% *  1.2958% (0.20   0.02   0.02) =   0.156%
          HB3   ASP- 105 - HN    ALA  110  13.29 +/- 1.14   0.479% *  2.9356% (0.45   0.02   0.02) =   0.031%
          HG12  ILE  103 - HN    ALA  110  16.79 +/- 0.88   0.143% *  5.2431% (0.80   0.02   0.02) =   0.016%
          HB3   GLN   90 - HN    ALA  110  14.25 +/- 1.61   0.347% *  1.8205% (0.28   0.02   0.02) =   0.014%
          HG2   ARG+  54 - HN    ALA  110  13.23 +/- 2.20   0.197% *  3.1872% (0.49   0.02   0.02) =   0.014%
          HG    LEU  123 - HN    ALA  110  17.79 +/- 1.86   0.096% *  6.4182% (0.98   0.02   0.02) =   0.013%
          HB    ILE  103 - HN    ALA  110  17.15 +/- 0.79   0.151% *  3.4450% (0.53   0.02   0.02) =   0.011%
          HB    VAL   41 - HN    ALA  110  18.85 +/- 1.51   0.055% *  4.2358% (0.65   0.02   0.02) =   0.005%
          QB    LYS+  66 - HN    ALA  110  16.53 +/- 2.25   0.077% *  2.9356% (0.45   0.02   0.02) =   0.005%
          HG3   PRO   68 - HN    ALA  110  23.00 +/- 2.41   0.031% *  3.7071% (0.57   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA  110  18.54 +/- 2.25   0.044% *  1.4578% (0.22   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ALA  110  24.01 +/- 1.65   0.012% *  2.2335% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.26 A violated in 5 structures by 0.78 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   2.74 +/- 0.15  99.317% * 98.9553% (0.69  10.0   2.12   9.59) = 100.000%  kept
          HB3   LEU  115 - HN    ALA  110   6.93 +/- 1.05   0.664% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  13.40 +/- 1.90   0.009% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  16.87 +/- 2.32   0.002% *  0.1428% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  18.89 +/- 2.11   0.001% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  20.64 +/- 3.09   0.001% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  19.90 +/- 3.42   0.001% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  18.52 +/- 1.28   0.001% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.61 +/- 1.84   0.000% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.12 +/- 3.50   0.001% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  18.98 +/- 2.84   0.001% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  22.54 +/- 2.32   0.000% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 315.2:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.17 +/- 0.52  71.991% * 99.3619% (1.00  10.0   7.06 315.30) =  99.980%  kept
          QB    GLU- 114 - HN    LYS+ 111   3.87 +/- 0.70  27.930% *  0.0524% (0.53   1.0   0.02   0.02) =   0.020%
          HB    ILE  119 - HN    LYS+ 111  10.95 +/- 1.17   0.074% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  23.31 +/- 1.95   0.001% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  24.06 +/- 2.43   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  24.88 +/- 1.72   0.000% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  22.29 +/- 1.77   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  22.37 +/- 2.42   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  25.51 +/- 1.76   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  29.36 +/- 2.41   0.000% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  23.92 +/- 1.63   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.19 +/- 1.89   0.000% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 315.3:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.64 +/- 0.51  99.904% * 99.4649% (0.92  10.0   5.50 315.30) = 100.000%  kept
          HD2   LYS+ 121 - HN    LYS+ 111  12.70 +/- 1.83   0.076% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+ 111  13.87 +/- 0.93   0.012% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  16.55 +/- 2.13   0.003% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  16.17 +/- 2.15   0.002% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.77 +/- 1.79   0.001% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  19.69 +/- 1.84   0.001% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  21.31 +/- 1.57   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  27.64 +/- 2.24   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.08 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.915, support = 6.52, residual support = 312.0:
          HG3   LYS+ 111 - HN    LYS+ 111   3.34 +/- 0.65  92.085% * 87.0565% (0.92   6.55 315.30) =  98.840%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.57 +/- 1.67   7.863% * 11.9618% (0.20   4.20  28.08) =   1.160%  kept
          HG12  ILE   89 - HN    LYS+ 111  14.97 +/- 3.84   0.035% *  0.2779% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  16.93 +/- 2.29   0.012% *  0.1746% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  23.23 +/- 1.81   0.001% *  0.1863% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  22.62 +/- 1.81   0.001% *  0.1630% (0.57   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  23.92 +/- 2.01   0.001% *  0.1081% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  22.39 +/- 1.72   0.002% *  0.0718% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 1 structures by 0.19 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.19, residual support = 2.19:
          QD1   ILE   56 - HN    LYS+ 111   5.76 +/- 3.03  91.945% * 97.5160% (0.76   2.19   2.19) =  99.919%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  14.16 +/- 1.26   5.560% *  1.1233% (0.97   0.02   0.02) =   0.070%
          QD2   LEU  123 - HN    LYS+ 111  14.67 +/- 1.22   1.912% *  0.3970% (0.34   0.02   0.02) =   0.008%
          QD2   LEU   73 - HN    LYS+ 111  17.21 +/- 2.17   0.430% *  0.5666% (0.49   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    LYS+ 111  22.44 +/- 1.84   0.154% *  0.3970% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 8 structures by 2.09 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.74, residual support = 231.9:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.79 +/- 0.04  99.994% * 99.8622% (0.87  10.0   5.74 231.94) = 100.000%  kept
          HB    THR   46 - HN    LYS+ 112  15.22 +/- 1.25   0.005% *  0.0393% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  17.52 +/- 1.12   0.002% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  27.14 +/- 1.60   0.000% *  0.0287% (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 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.05, residual support = 28.1:
          HB2   LYS+ 111 - HN    LYS+ 112   3.80 +/- 0.35  87.253% * 97.8495% (0.87   7.05  28.08) =  99.987%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.40 +/- 0.26  12.288% *  0.0889% (0.28   0.02   0.02) =   0.013%
          HB    ILE  119 - HN    LYS+ 112  10.64 +/- 0.92   0.223% *  0.1557% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+ 112  11.51 +/- 0.69   0.133% *  0.0889% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  12.57 +/- 1.51   0.091% *  0.0712% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  23.67 +/- 2.15   0.002% *  0.3198% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  24.68 +/- 2.06   0.002% *  0.2561% (0.80   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  25.74 +/- 1.54   0.001% *  0.2561% (0.80   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  27.82 +/- 1.77   0.001% *  0.2561% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  22.79 +/- 2.73   0.003% *  0.0560% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  26.40 +/- 1.42   0.001% *  0.1557% (0.49   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  24.08 +/- 1.30   0.002% *  0.0712% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.82 +/- 2.01   0.001% *  0.1811% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  32.13 +/- 1.57   0.000% *  0.1940% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.72, residual support = 231.9:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.72 +/- 0.57  99.888% * 98.9690% (0.76  10.0   5.72 231.94) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112   9.63 +/- 0.93   0.090% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  14.31 +/- 1.69   0.012% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  15.70 +/- 1.27   0.004% *  0.0838% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  19.12 +/- 2.19   0.002% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  19.44 +/- 1.65   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.99 +/- 1.38   0.001% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  21.80 +/- 1.39   0.001% *  0.1123% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  20.77 +/- 1.36   0.001% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  26.04 +/- 2.21   0.000% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  30.06 +/- 1.52   0.000% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  24.13 +/- 1.92   0.000% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  31.35 +/- 2.41   0.000% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.07 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.87, support = 5.75, residual support = 231.9:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.87 +/- 0.67  71.029% * 84.2819% (0.90  10.0   5.68 231.94) =  93.348%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.16 +/- 1.21  27.480% * 15.5224% (0.49   1.0   6.79 231.94) =   6.651%  kept
          QG2   VAL  107 - HN    LYS+ 112   6.48 +/- 1.80   1.462% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
          QG2   THR   94 - HN    LYS+ 112  11.66 +/- 0.88   0.027% *  0.0815% (0.87   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  19.50 +/- 1.07   0.001% *  0.0570% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  24.42 +/- 1.61   0.000% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 231.9:
          HG2   LYS+ 112 - HN    LYS+ 112   3.68 +/- 0.44  99.881% * 98.1724% (0.34   6.22 231.94) =  99.999%  kept
          QB    ALA   47 - HN    LYS+ 112  13.70 +/- 1.02   0.053% *  0.7412% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    LYS+ 112  14.46 +/- 1.37   0.039% *  0.6358% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  15.40 +/- 1.65   0.027% *  0.4506% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.02 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   5.84 +/- 2.31  95.988% * 96.8831% (0.76   1.74   8.53) =  99.960%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.68 +/- 1.04   1.863% *  1.4095% (0.97   0.02   0.02) =   0.028%
          QD2   LEU  123 - HN    LYS+ 112  13.99 +/- 1.08   1.808% *  0.4982% (0.34   0.02   0.02) =   0.010%
          QD2   LEU   73 - HN    LYS+ 112  19.00 +/- 1.40   0.277% *  0.7109% (0.49   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    LYS+ 112  25.47 +/- 1.71   0.063% *  0.4982% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 8 structures by 1.99 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 231.9:
          HG3   LYS+ 112 - HN    LYS+ 112   3.21 +/- 0.61  99.818% * 99.2174% (0.87   5.94 231.94) = 100.000%  kept
          HG    LEU   63 - HN    LYS+ 112  13.58 +/- 1.69   0.030% *  0.3776% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  108 - HN    LYS+ 112  10.09 +/- 0.66   0.151% *  0.0594% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  23.39 +/- 1.83   0.001% *  0.3455% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.14 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.08, residual support = 14.7:
      O   HA    LYS+ 112 - HN    ASP- 113   3.55 +/- 0.03  99.980% * 99.8622% (0.74  10.0   5.08  14.70) = 100.000%  kept
          HB2   HIS  122 - HN    ASP- 113  16.59 +/- 0.93   0.010% *  0.0698% (0.52   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    ASP- 113  17.06 +/- 1.16   0.009% *  0.0393% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  28.74 +/- 1.46   0.000% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 14.3:
      O   QB    ASP- 113 - HN    ASP- 113   2.11 +/- 0.08 100.000% *100.0000% (0.82  10.0   3.42  14.27) = 100.000%  kept
    Distance limit 3.06 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 = 2.84, residual support = 21.8:
          QG    GLU- 114 - HN    ASP- 113   4.66 +/- 0.34  99.068% * 93.4946% (0.26   2.84  21.79) =  99.990%  kept
          HG2   PRO   52 - HN    ASP- 113  13.73 +/- 2.06   0.242% *  1.6310% (0.65   0.02   0.02) =   0.004%
          HB2   PRO   58 - HN    ASP- 113  12.87 +/- 1.78   0.337% *  1.0388% (0.41   0.02   0.02) =   0.004%
          HG2   MET   92 - HN    ASP- 113  14.51 +/- 2.40   0.348% *  0.5322% (0.21   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ASP- 113  26.39 +/- 1.22   0.003% *  0.8010% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  34.90 +/- 1.46   0.001% *  1.9701% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  34.62 +/- 1.73   0.001% *  0.5322% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.16 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.775, support = 2.37, residual support = 7.29:
          HB2   LYS+ 111 - HN    ASP- 113   3.51 +/- 0.72  76.919% * 54.3786% (0.85   2.17   3.91) =  81.112%  kept
          QB    GLU- 114 - HN    ASP- 113   4.42 +/- 0.19  22.829% * 42.6618% (0.45   3.22  21.79) =  18.887%  kept
          HB    ILE  119 - HN    ASP- 113   9.58 +/- 0.70   0.245% *  0.1255% (0.21   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP- 113  23.24 +/- 2.11   0.001% *  0.4513% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  25.50 +/- 1.78   0.001% *  0.4932% (0.84   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  25.96 +/- 1.36   0.001% *  0.4932% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  22.24 +/- 2.66   0.002% *  0.1888% (0.32   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  24.89 +/- 1.12   0.001% *  0.2256% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  28.57 +/- 1.75   0.000% *  0.2647% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  27.03 +/- 1.34   0.000% *  0.1255% (0.21   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  28.15 +/- 1.95   0.000% *  0.1553% (0.26   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  33.27 +/- 1.49   0.000% *  0.4365% (0.74   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 4.98, residual support = 14.7:
          HB2   LYS+ 112 - HN    ASP- 113   3.45 +/- 0.36  99.765% * 95.9848% (0.65   4.98  14.70) = 100.000%  kept
          HD3   LYS+ 121 - HN    ASP- 113  12.72 +/- 1.94   0.071% *  0.1893% (0.32   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ASP- 113  11.28 +/- 1.03   0.132% *  0.0778% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  15.13 +/- 1.23   0.017% *  0.3263% (0.55   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  19.67 +/- 1.82   0.004% *  0.4656% (0.79   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  19.59 +/- 1.51   0.003% *  0.4656% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.75 +/- 1.29   0.003% *  0.3465% (0.59   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  22.63 +/- 1.34   0.001% *  0.4375% (0.74   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  25.27 +/- 2.31   0.001% *  0.4213% (0.71   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  22.12 +/- 1.16   0.002% *  0.2074% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  30.36 +/- 1.52   0.000% *  0.4867% (0.82   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  25.68 +/- 1.93   0.001% *  0.1258% (0.21   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  31.71 +/- 2.19   0.000% *  0.4656% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 1 structures by 0.15 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 4.66, residual support = 14.7:
          HB3   LYS+ 112 - HN    ASP- 113   3.66 +/- 0.50  80.042% * 58.9662% (0.76   4.52  14.70) =  88.323%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.29 +/- 0.82  15.428% * 40.4273% (0.41   5.71  14.70) =  11.672%  kept
          QG2   VAL  107 - HN    ASP- 113   6.55 +/- 1.54   4.456% *  0.0576% (0.17   0.02   0.02) =   0.005%
          QG2   THR   94 - HN    ASP- 113  12.27 +/- 0.71   0.068% *  0.2525% (0.74   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ASP- 113  19.17 +/- 1.08   0.005% *  0.1766% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  24.54 +/- 1.44   0.001% *  0.1197% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.3, residual support = 21.8:
      O   HA    ASP- 113 - HN    GLU- 114   3.61 +/- 0.02  99.551% * 99.6702% (1.00  10.0   3.30  21.79) = 100.000%  kept
          HA    ILE   56 - HN    GLU- 114  10.11 +/- 1.16   0.268% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 114  10.95 +/- 1.28   0.160% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 114  15.86 +/- 0.39   0.014% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  21.31 +/- 1.69   0.003% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  20.96 +/- 2.88   0.003% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.11 +/- 1.60   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 690 (2.68, 8.16, 121.97 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 21.8:
          QB    ASP- 113 - HN    GLU- 114   2.56 +/- 0.16  99.994% * 99.8604% (0.97   3.30  21.79) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.53 +/- 1.12   0.006% *  0.1396% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 4.45, residual support = 44.5:
          QG    GLU- 114 - HN    GLU- 114   2.80 +/- 0.29  99.965% * 97.7506% (0.84   4.45  44.48) = 100.000%  kept
          HG2   MET   92 - HN    GLU- 114  14.05 +/- 2.41   0.025% *  0.4023% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU- 114  13.99 +/- 2.12   0.010% *  0.5160% (0.98   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  25.58 +/- 0.95   0.000% *  0.4721% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  32.87 +/- 1.69   0.000% *  0.4023% (0.76   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  33.43 +/- 1.36   0.000% *  0.4566% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.838, support = 3.82, residual support = 42.3:
      O   QB    GLU- 114 - HN    GLU- 114   2.18 +/- 0.14  67.377% * 89.8060% (0.84  10.0   3.91  44.48) =  95.062%  kept
          HB2   LYS+ 111 - HN    GLU- 114   2.97 +/- 1.07  32.622% *  9.6350% (0.90   1.0   2.00   0.02) =   4.938%  kept
          HG2   PRO   68 - HN    GLU- 114  21.29 +/- 2.51   0.000% *  0.0739% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  22.37 +/- 1.93   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.76 +/- 0.98   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  24.95 +/- 1.49   0.000% *  0.1017% (0.95   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  25.11 +/- 1.16   0.000% *  0.1017% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  31.85 +/- 1.35   0.000% *  0.1075% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  27.16 +/- 1.73   0.000% *  0.0268% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.92, support = 0.0199, residual support = 0.0199:
          HB3   LYS+ 111 - HN    GLU- 114   3.27 +/- 0.60  99.461% * 15.6743% (0.92   0.02   0.02) =  99.690%  kept
          HD2   LYS+ 121 - HN    GLU- 114  10.49 +/- 1.93   0.415% *  6.9806% (0.41   0.02   0.02) =   0.185%
          HB3   LYS+ 121 - HN    GLU- 114  11.91 +/- 0.76   0.091% * 16.6435% (0.98   0.02   0.02) =   0.097%
          QD    LYS+  66 - HN    GLU- 114  15.29 +/- 1.60   0.016% * 13.5963% (0.80   0.02   0.02) =   0.014%
          HG    LEU  104 - HN    GLU- 114  18.22 +/- 1.61   0.006% * 16.6435% (0.98   0.02   0.02) =   0.006%
          HD3   LYS+  74 - HN    GLU- 114  18.41 +/- 1.17   0.006% * 15.2279% (0.90   0.02   0.02) =   0.006%
          HG2   LYS+  65 - HN    GLU- 114  19.78 +/- 1.03   0.004% *  5.7919% (0.34   0.02   0.02) =   0.001%
          QG2   THR   26 - HN    GLU- 114  23.13 +/- 0.80   0.002% *  4.7210% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    GLU- 114  28.69 +/- 2.23   0.000% *  4.7210% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.08 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 694 (1.14, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 1.47, residual support = 5.21:
          QG2   VAL  107 - HN    GLU- 114   5.01 +/- 1.40  77.647% * 67.2961% (0.53   1.49   5.54) =  94.105%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.65 +/- 1.16  19.288% * 15.1070% (0.15   1.14   0.02) =   5.248%  kept
          HG13  ILE  119 - HN    GLU- 114   8.90 +/- 1.26   2.704% * 13.1423% (0.73   0.21   0.02) =   0.640%  kept
          HG2   LYS+ 121 - HN    GLU- 114  12.22 +/- 1.50   0.304% *  1.3078% (0.76   0.02   0.02) =   0.007%
          QB    ALA   20 - HN    GLU- 114  21.46 +/- 0.94   0.009% *  1.7074% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    GLU- 114  16.87 +/- 1.12   0.043% *  0.2640% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  25.07 +/- 1.44   0.004% *  1.1754% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.06 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   3.00 +/- 0.39  99.976% * 99.4046% (0.57  10.0   3.86  14.94) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  13.55 +/- 1.64   0.022% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  21.10 +/- 4.17   0.001% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  26.13 +/- 1.62   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.81 +/- 1.54   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.85 +/- 1.59   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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   2.85 +/- 0.20  99.995% * 99.9154% (0.53  10.0   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  16.18 +/- 2.35   0.005% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.63 +/- 0.73   0.000% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.39, residual support = 75.3:
      O   HA    GLU- 100 - HN    GLU- 100   2.27 +/- 0.12  99.996% * 99.4046% (0.57  10.0   6.39  75.28) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  12.59 +/- 0.99   0.004% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  22.25 +/- 3.84   0.000% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.94 +/- 1.27   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  24.90 +/- 1.31   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.95 +/- 1.21   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 4.23, residual support = 75.3:
          HG3   GLU- 100 - HN    GLU- 100   3.24 +/- 0.91  99.760% * 97.3954% (0.69   4.23  75.28) =  99.998%  kept
          QB    GLN   32 - HN    GLU- 100  10.94 +/- 0.80   0.194% *  0.6575% (0.98   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLU- 100  14.60 +/- 1.54   0.033% *  0.6575% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  19.84 +/- 1.93   0.006% *  0.6345% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  19.99 +/- 1.55   0.004% *  0.1493% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  24.54 +/- 1.24   0.001% *  0.1865% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  25.55 +/- 3.75   0.001% *  0.1327% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  28.34 +/- 2.16   0.001% *  0.1865% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.05 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 38.2:
          HB2   LYS+  99 - HN    GLU- 100   4.43 +/- 0.17  99.722% * 99.1240% (0.73   5.60  38.17) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.08 +/- 0.87   0.270% *  0.4071% (0.84   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLU- 100  25.59 +/- 1.55   0.003% *  0.3725% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    GLU- 100  23.28 +/- 2.55   0.006% *  0.0965% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.10 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.894, support = 6.26, residual support = 38.1:
          HG2   LYS+  99 - HN    GLU- 100   3.22 +/- 0.42  97.845% * 86.9149% (0.90   6.28  38.17) =  99.722%  kept
          HG2   LYS+  38 - HN    GLU- 100   6.56 +/- 0.72   1.983% * 11.9402% (0.97   0.80   0.02) =   0.278%
          HB2   LEU   31 - HN    GLU- 100  10.22 +/- 1.24   0.150% *  0.1748% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  16.02 +/- 1.01   0.009% *  0.0953% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  18.66 +/- 1.03   0.003% *  0.1873% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.80 +/- 0.84   0.006% *  0.0687% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  22.18 +/- 2.31   0.001% *  0.2921% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  22.05 +/- 2.79   0.001% *  0.1269% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  25.24 +/- 2.39   0.001% *  0.1997% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 171.2:
      O   HB2   LYS+  99 - HN    LYS+  99   2.98 +/- 0.30  99.856% * 99.7262% (0.99  10.0   4.78 171.16) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  10.38 +/- 0.77   0.072% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  10.94 +/- 0.73   0.056% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  20.73 +/- 0.95   0.001% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  24.39 +/- 1.75   0.000% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.33 +/- 0.77   0.005% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  15.44 +/- 0.90   0.007% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  17.62 +/- 1.34   0.003% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.85, residual support = 17.4:
          QB    LEU   98 - HN    LYS+  99   2.94 +/- 0.30  98.431% * 93.5727% (0.57   3.85  17.41) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+  99  12.49 +/- 2.02   0.034% *  0.7440% (0.87   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    GLN   30   8.98 +/- 0.72   0.196% *  0.0505% (0.06   0.02  14.95) =   0.000%
          HB3   LEU   67 - HN    LYS+  99  13.91 +/- 2.52   0.025% *  0.3845% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   7.00 +/- 0.95   1.056% *  0.0087% (0.01   0.02   5.33) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  16.30 +/- 1.39   0.004% *  0.7692% (0.90   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  99  12.45 +/- 1.08   0.023% *  0.1323% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  11.70 +/- 3.35   0.066% *  0.0451% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  11.71 +/- 0.67   0.036% *  0.0471% (0.05   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.25 +/- 1.06   0.002% *  0.7164% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  12.58 +/- 2.85   0.029% *  0.0544% (0.06   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  10.87 +/- 0.73   0.046% *  0.0319% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  17.45 +/- 0.74   0.003% *  0.5202% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.86 +/- 0.53   0.002% *  0.7164% (0.84   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  16.50 +/- 1.30   0.004% *  0.2385% (0.28   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  20.71 +/- 3.15   0.001% *  0.6868% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  21.14 +/- 2.53   0.001% *  0.8278% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  16.34 +/- 2.57   0.031% *  0.0174% (0.02   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  22.22 +/- 2.23   0.001% *  0.2647% (0.31   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  16.53 +/- 1.26   0.004% *  0.0342% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  17.23 +/- 1.16   0.003% *  0.0253% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  21.15 +/- 1.17   0.001% *  0.0471% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  23.80 +/- 1.57   0.000% *  0.0489% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.46 +/- 0.78   0.001% *  0.0157% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.763, support = 3.35, residual support = 17.1:
          QD2   LEU  104 - HN    LYS+  99   3.43 +/- 1.04  67.747% * 47.4374% (0.80   3.07  16.88) =  66.963%  kept
          QD1   LEU   98 - HN    LYS+  99   4.12 +/- 0.61  30.466% * 52.0406% (0.69   3.93  17.41) =  33.036%  kept
          QD1   ILE   19 - HN    GLN   30   6.82 +/- 0.82   1.568% *  0.0164% (0.04   0.02  14.95) =   0.001%
          QD1   ILE   19 - HN    LYS+  99  14.02 +/- 0.93   0.021% *  0.2495% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  10.89 +/- 1.13   0.101% *  0.0174% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  15.17 +/- 0.83   0.012% *  0.0859% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  16.87 +/- 1.18   0.008% *  0.1190% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  12.13 +/- 0.80   0.046% *  0.0056% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  13.59 +/- 0.74   0.023% *  0.0078% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  15.60 +/- 1.25   0.008% *  0.0203% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.846, support = 3.96, residual support = 16.6:
          QD1   LEU  104 - HN    LYS+  99   3.85 +/- 0.73  58.989% * 93.6366% (0.87   4.00  16.88) =  97.361%  kept
          QD1   LEU   73 - HN    GLN   30   4.26 +/- 0.47  39.071% *  3.8251% (0.06   2.49   5.33) =   2.634%  kept
          QD1   LEU   73 - HN    LYS+  99  10.32 +/- 0.64   0.216% *  0.4682% (0.87   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    LYS+  99  11.40 +/- 1.05   0.119% *  0.4682% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN   30   8.75 +/- 2.74   0.943% *  0.0351% (0.07   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    LYS+  99  11.10 +/- 1.47   0.147% *  0.1501% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  15.16 +/- 2.19   0.025% *  0.5385% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LYS+  99  16.65 +/- 2.46   0.015% *  0.5350% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30  10.39 +/- 3.35   0.397% *  0.0146% (0.03   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  16.36 +/- 3.51   0.021% *  0.2219% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.14 +/- 1.09   0.020% *  0.0308% (0.06   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  15.32 +/- 0.84   0.016% *  0.0308% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  15.70 +/- 1.38   0.017% *  0.0099% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  19.87 +/- 2.35   0.004% *  0.0354% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.05, residual support = 10.9:
          HB3   PHE   97 - HN    LEU   98   3.88 +/- 0.35  99.245% * 97.5569% (0.65   4.05  10.94) =  99.995%  kept
          HB2   GLU- 100 - HN    LEU   98   9.33 +/- 0.51   0.634% *  0.6677% (0.90   0.02   0.02) =   0.004%
          QG    GLN   32 - HN    LEU   98  12.90 +/- 0.67   0.085% *  0.3917% (0.53   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  17.75 +/- 1.58   0.016% *  0.5961% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  18.70 +/- 1.21   0.010% *  0.6219% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  19.00 +/- 1.08   0.009% *  0.1658% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.658, support = 4.97, residual support = 29.5:
          HB    VAL   41 - HN    LEU   98   3.53 +/- 0.98  81.060% * 62.7935% (0.65   5.18  29.79) =  92.622%  kept
          HG12  ILE  103 - HN    LEU   98   5.33 +/- 0.51  11.533% * 35.0711% (0.80   2.34  26.54) =   7.360%  kept
          HB    ILE  103 - HN    LEU   98   7.16 +/- 0.22   1.795% *  0.1972% (0.53   0.02  26.54) =   0.006%
          QB    LYS+ 106 - HN    LEU   98   7.10 +/- 0.85   3.736% *  0.0742% (0.20   0.02   0.02) =   0.005%
          HB3   ASP- 105 - HN    LEU   98   7.18 +/- 0.59   1.597% *  0.1680% (0.45   0.02   5.13) =   0.005%
          HG    LEU  123 - HN    LEU   98  15.77 +/- 2.21   0.053% *  0.3673% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   98  11.57 +/- 0.56   0.097% *  0.1278% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LEU   98  12.46 +/- 0.84   0.061% *  0.1680% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   98  14.00 +/- 1.88   0.048% *  0.2122% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  21.28 +/- 1.68   0.003% *  0.3673% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  16.89 +/- 0.39   0.009% *  0.0834% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  22.87 +/- 1.21   0.002% *  0.1824% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  20.87 +/- 1.52   0.003% *  0.0834% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  22.71 +/- 0.97   0.002% *  0.1042% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.13 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.06, residual support = 81.4:
      O   QB    LEU   98 - HN    LEU   98   2.84 +/- 0.16  97.595% * 99.2383% (0.84  10.0   5.06  81.44) =  99.999%  kept
          HB    VAL   42 - HN    LEU   98   5.60 +/- 0.61   2.276% *  0.0208% (0.18   1.0   0.02   0.55) =   0.000%
          HD3   LYS+ 121 - HN    LEU   98  11.51 +/- 1.78   0.041% *  0.1185% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  11.52 +/- 2.32   0.039% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  13.21 +/- 1.39   0.013% *  0.0769% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  14.79 +/- 0.41   0.005% *  0.1178% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  12.74 +/- 0.61   0.013% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.09 +/- 0.76   0.007% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.43 +/- 0.95   0.004% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  17.82 +/- 2.44   0.002% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  17.56 +/- 3.03   0.003% *  0.0625% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  20.95 +/- 2.16   0.001% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.56 +/- 0.93   0.002% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 4.75, residual support = 10.4:
          QD2   LEU   40 - HN    LEU   98   2.84 +/- 0.52  95.087% * 98.3789% (0.97   4.75  10.42) =  99.988%  kept
          QG2   ILE  103 - HN    LEU   98   5.68 +/- 0.34   2.048% *  0.3720% (0.87   0.02  26.54) =   0.008%
          QD1   ILE  103 - HN    LEU   98   5.84 +/- 0.84   2.280% *  0.0849% (0.20   0.02  26.54) =   0.002%
          QD1   LEU   67 - HN    LEU   98   9.21 +/- 2.25   0.392% *  0.4057% (0.95   0.02   0.02) =   0.002%
          QD2   LEU   71 - HN    LEU   98   8.88 +/- 0.77   0.165% *  0.1193% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU   98  12.57 +/- 0.88   0.022% *  0.3114% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  15.55 +/- 0.61   0.006% *  0.3278% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 711 (0.73, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.375, support = 4.42, residual support = 71.8:
          QD1   LEU   98 - HN    LEU   98   3.46 +/- 0.92  53.112% * 62.4704% (0.38   4.88  81.44) =  83.566%  kept
          QG1   VAL   41 - HN    LEU   98   3.84 +/- 0.45  29.724% * 15.0919% (0.15   2.87  29.79) =  11.299%  kept
          QD2   LEU  104 - HN    LEU   98   5.63 +/- 1.08  11.528% * 14.5627% (0.99   0.43   8.47) =   4.228%  kept
          QG1   VAL   43 - HN    LEU   98   5.42 +/- 1.11   5.534% *  6.4988% (0.28   0.68   0.02) =   0.906%  kept
          QD1   ILE   19 - HN    LEU   98  11.64 +/- 0.92   0.047% *  0.6300% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU   98  11.86 +/- 0.91   0.036% *  0.3322% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   98  13.28 +/- 1.16   0.018% *  0.4140% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 0.216, support = 4.53, residual support = 55.3:
          QD2   LEU   98 - HN    LEU   98   3.44 +/- 0.84  60.814% * 28.1651% (0.15   4.68  81.44) =  51.215%  kept
          QG2   VAL   41 - HN    LEU   98   4.24 +/- 0.82  29.336% * 50.5086% (0.28   4.66  29.79) =  44.304%  kept
          QD1   LEU  104 - HN    LEU   98   5.29 +/- 0.77   8.126% * 18.3023% (0.31   1.52   8.47) =   4.447%  kept
          QD1   LEU   73 - HN    LEU   98   7.73 +/- 0.50   0.552% *  0.6998% (0.90   0.02   0.02) =   0.012%
          QD2   LEU   63 - HN    LEU   98   8.38 +/- 1.49   0.590% *  0.6517% (0.84   0.02   0.02) =   0.011%
          QD1   LEU   63 - HN    LEU   98   8.29 +/- 1.12   0.503% *  0.6998% (0.90   0.02   0.02) =   0.011%
          QD2   LEU  115 - HN    LEU   98  12.40 +/- 2.33   0.043% *  0.4418% (0.57   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   98  14.03 +/- 2.32   0.023% *  0.4105% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  15.42 +/- 2.47   0.014% *  0.1204% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.99 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   2.64 +/- 0.44  97.394% * 99.6886% (0.95  10.0   4.85  62.66) =  99.999%  kept
          QE    LYS+ 106 - HN    PHE   97   5.74 +/- 0.77   2.420% *  0.0554% (0.53   1.0   0.02  11.47) =   0.001%
          QE    LYS+  99 - HN    PHE   97   9.15 +/- 0.65   0.088% *  0.0639% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.78 +/- 1.07   0.067% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  14.21 +/- 1.45   0.009% *  0.1017% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  12.04 +/- 1.38   0.019% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  16.04 +/- 0.63   0.003% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.63, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 46.3:
          HG2   MET   96 - HN    PHE   97   3.58 +/- 0.48  99.967% * 99.4690% (0.73   5.60  46.26) = 100.000%  kept
          HB2   PRO   52 - HN    PHE   97  18.71 +/- 2.07   0.008% *  0.4090% (0.84   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HN    PHE   97  15.31 +/- 1.25   0.025% *  0.1221% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.71 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   3.32 +/- 0.48  98.499% * 99.0693% (0.34  10.0   5.20  62.66) =  99.999%  kept
          HB    VAL  107 - HN    PHE   97   7.08 +/- 0.65   1.432% *  0.0808% (0.28   1.0   0.02   5.68) =   0.001%
          HB2   GLU- 100 - HN    PHE   97  12.75 +/- 0.59   0.040% *  0.1762% (0.61   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  15.79 +/- 0.73   0.012% *  0.2426% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.29 +/- 1.19   0.013% *  0.1414% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  18.61 +/- 1.27   0.004% *  0.2898% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.457, support = 5.49, residual support = 48.9:
          HB2   MET   96 - HN    PHE   97   3.92 +/- 0.34  85.960% * 35.2418% (0.31   6.07  46.26) =  77.928%  kept
          HB2   ASP- 105 - HN    PHE   97   5.68 +/- 0.99  13.553% * 63.3062% (0.98   3.44  58.24) =  22.070%  kept
          HG12  ILE  119 - HN    PHE   97  10.62 +/- 1.62   0.381% *  0.1546% (0.41   0.02   0.56) =   0.002%
          HG2   GLU- 100 - HN    PHE   97  13.57 +/- 0.72   0.057% *  0.2873% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   97  16.21 +/- 0.51   0.020% *  0.3371% (0.90   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  18.54 +/- 0.66   0.009% *  0.3010% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  18.66 +/- 0.85   0.009% *  0.3140% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  17.56 +/- 1.18   0.012% *  0.0580% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.07, residual support = 46.3:
          HB3   MET   96 - HN    PHE   97   4.34 +/- 0.32  99.644% * 91.3872% (0.15   6.07  46.26) =  99.995%  kept
          HB3   GLN   30 - HN    PHE   97  13.97 +/- 0.64   0.099% *  1.4160% (0.73   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    PHE   97  14.49 +/- 0.50   0.080% *  1.6915% (0.87   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  14.38 +/- 1.04   0.096% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  15.54 +/- 0.66   0.054% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  18.34 +/- 1.03   0.021% *  1.9114% (0.98   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   97  22.97 +/- 1.44   0.005% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  31.70 +/- 3.29   0.001% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.17 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.627, support = 1.19, residual support = 1.21:
          QG2   ILE  103 - HN    PHE   97   3.83 +/- 0.50  86.558% * 45.5387% (0.61   1.21   1.15) =  86.687%  kept
          QD2   LEU   40 - HN    PHE   97   5.52 +/- 0.69  11.739% * 51.4716% (0.76   1.09   1.59) =  13.288%  kept
          QD1   LEU   67 - HN    PHE   97  10.54 +/- 2.74   0.789% *  0.9015% (0.73   0.02   0.02) =   0.016%
          QD1   ILE  119 - HN    PHE   97   9.87 +/- 1.96   0.763% *  0.3096% (0.25   0.02   0.56) =   0.005%
          HB    VAL   75 - HN    PHE   97  11.96 +/- 0.81   0.126% *  1.1744% (0.95   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HN    PHE   97  15.49 +/- 0.59   0.025% *  0.6043% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.04 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 4.0, residual support = 12.0:
          HB3   PHE   95 - HN    MET   96   3.71 +/- 0.29  99.723% * 95.7142% (0.24   4.00  11.99) =  99.997%  kept
          HB3   TRP   87 - HN    MET   96  11.63 +/- 2.59   0.219% *  1.0876% (0.54   0.02   0.02) =   0.002%
          HG3   GLN  116 - HN    MET   96  16.12 +/- 1.49   0.020% *  0.9351% (0.46   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  14.90 +/- 1.42   0.032% *  0.3802% (0.19   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  19.01 +/- 1.12   0.006% *  1.8830% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.04 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   2.82 +/- 0.31  99.719% * 99.6054% (0.94  10.0   4.07 115.56) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   8.63 +/- 0.83   0.215% *  0.0448% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  11.11 +/- 0.59   0.039% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  14.43 +/- 0.84   0.007% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  16.02 +/- 0.78   0.004% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  15.63 +/- 0.81   0.005% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.41 +/- 0.33   0.011% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  18.37 +/- 1.12   0.002% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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   2.58 +/- 0.22  99.960% * 99.5022% (0.57  10.0   3.97 115.56) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  11.32 +/- 0.61   0.015% *  0.1552% (0.89   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  12.30 +/- 1.21   0.012% *  0.0863% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  12.57 +/- 1.68   0.010% *  0.0456% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  17.03 +/- 1.46   0.002% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  21.24 +/- 1.45   0.000% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  30.60 +/- 3.01   0.000% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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   3.26 +/- 0.64  99.417% * 76.2797% (0.19   1.50  16.40) =  99.976%  kept
          HB2   LEU   71 - HN    MET   96  10.09 +/- 0.76   0.211% *  4.4580% (0.82   0.02   0.02) =   0.012%
          HG2   PRO   93 - HN    MET   96  10.78 +/- 0.45   0.142% *  2.5016% (0.46   0.02   0.02) =   0.005%
          QB    LYS+ 102 - HN    MET   96  12.16 +/- 0.53   0.060% *  3.7319% (0.69   0.02   0.14) =   0.003%
          HB2   LYS+  99 - HN    MET   96  11.55 +/- 0.43   0.084% *  1.4289% (0.26   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    MET   96  14.31 +/- 0.70   0.022% *  4.2927% (0.79   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    MET   96  12.70 +/- 0.89   0.047% *  1.2815% (0.24   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    MET   96  17.02 +/- 0.90   0.009% *  4.7442% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    MET   96  16.60 +/- 1.70   0.008% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.05 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.54, residual support = 2.18:
          QG2   THR   94 - HN    MET   96   4.37 +/- 0.32  99.195% * 95.4523% (0.85   1.54   2.18) =  99.993%  kept
          HB3   LEU   71 - HN    MET   96  11.30 +/- 0.68   0.364% *  1.3059% (0.89   0.02   0.02) =   0.005%
          HG12  ILE   89 - HN    MET   96  12.52 +/- 2.17   0.272% *  0.3073% (0.21   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HN    MET   96  16.57 +/- 2.02   0.050% *  1.3532% (0.93   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    MET   96  16.46 +/- 1.66   0.042% *  1.1975% (0.82   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    MET   96  15.17 +/- 1.74   0.077% *  0.3838% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.08 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.96, residual support = 16.4:
          QG1   VAL   43 - HN    MET   96   4.00 +/- 0.45  94.912% * 96.6032% (0.76   2.96  16.40) =  99.961%  kept
          QG2   THR   46 - HN    MET   96   8.53 +/- 1.36   2.424% *  0.8141% (0.94   0.02   0.02) =   0.022%
          QG1   VAL   41 - HN    MET   96   8.26 +/- 0.43   1.372% *  0.4949% (0.57   0.02   0.02) =   0.007%
          QG2   VAL   18 - HN    MET   96  10.00 +/- 0.99   0.603% *  0.7874% (0.91   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    MET   96   9.93 +/- 0.77   0.509% *  0.5925% (0.69   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    MET   96  11.99 +/- 0.78   0.179% *  0.7078% (0.82   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 0 structures by 0.04 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.663, support = 0.02, residual support = 0.0607:
          QD1   LEU   63 - HN    MET   96   6.45 +/- 1.21  23.780% * 19.4267% (0.85   0.02   0.02) =  44.952%  kept
          QD2   LEU   63 - HN    MET   96   7.94 +/- 1.30   6.673% * 18.0932% (0.79   0.02   0.02) =  11.749%  kept
          QD2   LEU   98 - HN    MET   96   5.91 +/- 1.13  36.073% *  3.3423% (0.15   0.02   0.37) =  11.732%  kept
          QD1   LEU   73 - HN    MET   96   7.67 +/- 0.56   6.071% * 19.4267% (0.85   0.02   0.02) =  11.477%  kept
          QG2   VAL   41 - HN    MET   96   6.75 +/- 1.02  18.387% *  6.0227% (0.26   0.02   0.02) =  10.776%  kept
          QD2   LEU  115 - HN    MET   96   9.55 +/- 2.32   5.863% * 12.2638% (0.54   0.02   0.02) =   6.997%  kept
          QD2   LEU   80 - HN    MET   96  11.16 +/- 2.03   1.031% * 11.3966% (0.50   0.02   0.02) =   1.144%  kept
          QD1   LEU  104 - HN    MET   96   9.79 +/- 0.74   1.486% *  6.6858% (0.29   0.02   0.02) =   0.967%  kept
          QD1   LEU   80 - HN    MET   96  12.21 +/- 2.24   0.636% *  3.3423% (0.15   0.02   0.02) =   0.207%
    Distance limit 4.50 A violated in 1 structures by 0.30 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.55, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    MET   96   9.32 +/- 1.89  28.655% * 55.1266% (0.72   0.02   0.02) =  55.684%  kept
          QG2   VAL   83 - HN    MET   96  10.02 +/- 2.73  22.117% * 35.1112% (0.46   0.02   0.02) =  27.374%  kept
          QD2   LEU   31 - HN    MET   96   8.12 +/- 0.72  49.229% *  9.7622% (0.13   0.02   0.02) =  16.941%  kept
    Distance limit 4.37 A violated in 20 structures by 2.73 A, eliminated.
    Peak unassigned.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.49 +/- 0.16 100.000% *100.0000% (0.87  10.0   3.86  73.52) = 100.000%  kept
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.2, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.50 +/- 0.32  99.950% * 99.8580% (0.98  10.0   4.20  73.52) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  13.03 +/- 1.05   0.048% *  0.0964% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  22.10 +/- 1.19   0.002% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 729 (2.41, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.24, residual support = 45.5:
          HB    VAL  107 - HN    PHE   95   4.00 +/- 0.73  95.914% * 98.3865% (0.99   3.24  45.55) =  99.982%  kept
          HB3   PHE   45 - HN    PHE   95   7.53 +/- 0.78   3.709% *  0.4208% (0.69   0.02   1.89) =   0.017%
          QE    LYS+ 112 - HN    PHE   95  11.63 +/- 1.90   0.323% *  0.4208% (0.69   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    PHE   95  16.36 +/- 1.31   0.037% *  0.2299% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  19.55 +/- 0.91   0.011% *  0.4208% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  21.76 +/- 0.73   0.006% *  0.1212% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 2 structures by 0.18 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.838, support = 4.21, residual support = 15.9:
          QG2   THR   94 - HN    PHE   95   2.58 +/- 0.28  83.931% * 79.4649% (0.87   4.20  14.54) =  95.534%  kept
          QG2   VAL  107 - HN    PHE   95   3.89 +/- 0.76  15.999% * 19.4876% (0.20   4.51  45.55) =   4.466%  kept
          HG13  ILE  103 - HN    PHE   95   9.26 +/- 0.80   0.054% *  0.2646% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  13.20 +/- 1.42   0.006% *  0.3912% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  13.42 +/- 1.87   0.007% *  0.2123% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  15.30 +/- 0.63   0.002% *  0.1793% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (3.96, 8.03, 115.19 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 25.3:
      O   HB    THR   94 - HN    THR   94   2.69 +/- 0.19  99.872% * 98.9931% (0.65  10.0   3.08  25.30) = 100.000%  kept
          HD2   PRO   52 - HN    THR   94   9.77 +/- 1.54   0.064% *  0.0522% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  11.64 +/- 0.80   0.018% *  0.1169% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  13.78 +/- 0.98   0.007% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  12.51 +/- 0.96   0.012% *  0.0745% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  12.85 +/- 1.14   0.012% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  12.77 +/- 1.09   0.010% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  17.89 +/- 1.22   0.002% *  0.1448% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  17.81 +/- 1.03   0.001% *  0.1413% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  17.82 +/- 1.74   0.002% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  21.17 +/- 1.00   0.000% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  20.97 +/- 1.13   0.001% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.2:
          HB2   PHE   45 - HN    THR   94   2.90 +/- 0.78  99.914% * 98.8926% (0.95   2.96  27.21) =  99.999%  kept
          QE    LYS+ 111 - HN    THR   94  12.20 +/- 0.86   0.057% *  0.7071% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    THR   94  13.04 +/- 1.01   0.030% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.05 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.561, support = 1.5, residual support = 26.8:
          HB3   PHE   45 - HN    THR   94   4.02 +/- 0.67  93.928% * 72.7697% (0.57   1.50  27.21) =  98.576%  kept
          HB    VAL  107 - HN    THR   94   7.51 +/- 0.89   4.661% * 20.9772% (0.20   1.24   0.02) =   1.410%  kept
          HG3   MET   96 - HN    THR   94   9.67 +/- 0.74   0.920% *  0.4765% (0.28   0.02   2.18) =   0.006%
          QE    LYS+ 112 - HN    THR   94  11.84 +/- 1.91   0.300% *  0.9703% (0.57   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HN    THR   94  13.75 +/- 1.63   0.088% *  1.6986% (0.99   0.02   0.02) =   0.002%
          HB3   ASP-  62 - HN    THR   94  13.56 +/- 1.09   0.095% *  1.1772% (0.69   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    THR   94  21.38 +/- 0.52   0.005% *  1.6986% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  24.98 +/- 1.44   0.003% *  0.2319% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.07 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.39, residual support = 15.7:
      O   HB2   PRO   93 - HN    THR   94   3.92 +/- 0.12  92.695% * 99.5171% (0.98  10.0   4.39  15.72) =  99.995%  kept
          HB    VAL  108 - HN    THR   94   7.22 +/- 1.68   5.985% *  0.0697% (0.69   1.0   0.02   0.02) =   0.005%
          HG3   PRO   52 - HN    THR   94   9.57 +/- 2.54   1.028% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   94  12.32 +/- 1.15   0.131% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  12.91 +/- 0.58   0.077% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  14.21 +/- 0.99   0.045% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  15.95 +/- 0.77   0.022% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  17.40 +/- 1.26   0.013% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.23 +/- 0.46   0.003% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  24.82 +/- 1.99   0.002% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  33.73 +/- 3.00   0.000% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.894, support = 2.84, residual support = 15.6:
      O   HB3   PRO   93 - HN    THR   94   3.85 +/- 0.19  86.128% * 94.6543% (0.90  10.0   2.85  15.72) =  99.320%  kept
          HB3   ASP-  44 - HN    THR   94   5.65 +/- 0.84  12.338% *  4.5154% (0.49   1.0   1.76   0.02) =   0.679%  kept
          QB    ALA   84 - HN    THR   94   9.05 +/- 1.01   0.685% *  0.0916% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    THR   94  11.16 +/- 0.60   0.158% *  0.0916% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    THR   94  11.38 +/- 0.81   0.145% *  0.0683% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  11.38 +/- 1.16   0.168% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    THR   94  12.00 +/- 0.50   0.101% *  0.0598% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  13.00 +/- 1.34   0.065% *  0.0807% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  13.95 +/- 1.52   0.059% *  0.0807% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  12.59 +/- 1.88   0.111% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  17.04 +/- 1.28   0.014% *  0.0598% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  20.06 +/- 1.40   0.005% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  20.02 +/- 1.23   0.005% *  0.0683% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  17.08 +/- 1.03   0.013% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  20.68 +/- 0.92   0.004% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  25.48 +/- 2.29   0.002% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.52, residual support = 25.3:
          QG2   THR   94 - HN    THR   94   3.79 +/- 0.23  98.811% * 94.3544% (0.34   3.52  25.30) =  99.985%  kept
          HG12  ILE   89 - HN    THR   94   9.00 +/- 1.61   0.912% *  1.2020% (0.76   0.02   5.45) =   0.012%
          HG3   LYS+ 111 - HN    THR   94  12.21 +/- 1.60   0.127% *  1.3138% (0.84   0.02   0.02) =   0.002%
          HD2   LYS+ 112 - HN    THR   94  13.85 +/- 1.91   0.067% *  1.1421% (0.73   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    THR   94  13.84 +/- 1.46   0.054% *  0.4855% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    THR   94  16.51 +/- 0.61   0.016% *  1.2595% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  17.06 +/- 1.09   0.014% *  0.2427% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 5.45:
          QG2   ILE   89 - HN    THR   94   5.59 +/- 1.57  97.087% * 99.1801% (0.90   0.75   5.45) =  99.975%  kept
          QG1   VAL   83 - HN    THR   94  11.03 +/- 1.99   2.913% *  0.8199% (0.28   0.02   0.02) =   0.025%
    Distance limit 4.46 A violated in 7 structures by 1.14 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.189, support = 3.81, residual support = 59.3:
          HG3   MET   92 - HN    MET   92   4.15 +/- 0.51  93.885% * 40.3551% (0.14   4.04  63.97) =  92.649%  kept
          QG    GLN   90 - HN    MET   92   6.97 +/- 0.60   5.795% * 51.8001% (0.87   0.81   0.02) =   7.340%  kept
          HB2   ASP-  44 - HN    MET   92  11.96 +/- 1.15   0.262% *  1.4458% (0.98   0.02   0.02) =   0.009%
          HB3   PHE   72 - HN    MET   92  17.92 +/- 1.33   0.019% *  1.3616% (0.92   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    MET   92  16.63 +/- 1.02   0.030% *  0.7760% (0.53   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    MET   92  23.95 +/- 1.79   0.003% *  1.4750% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  25.81 +/- 1.99   0.002% *  1.4234% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  23.19 +/- 1.72   0.004% *  0.2919% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  34.22 +/- 2.97   0.000% *  1.0710% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.16 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 64.0:
      O   HB2   MET   92 - HN    MET   92   2.60 +/- 0.46  99.192% * 99.5386% (1.00  10.0   3.94  63.97) = 100.000%  kept
          HB3   GLN   90 - HN    MET   92   6.53 +/- 0.57   0.694% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92  10.71 +/- 1.56   0.047% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  11.67 +/- 2.40   0.044% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  11.58 +/- 0.62   0.020% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  17.71 +/- 0.68   0.002% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  19.92 +/- 1.85   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  29.19 +/- 0.85   0.000% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  22.71 +/- 1.62   0.000% *  0.0135% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  29.07 +/- 2.13   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  38.93 +/- 3.51   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 4.28, residual support = 64.0:
      O   HB3   MET   92 - HN    MET   92   3.58 +/- 0.33  90.547% * 99.1115% (0.57  10.0   4.28  63.97) =  99.995%  kept
          HB    ILE   89 - HN    MET   92   6.83 +/- 1.69   6.809% *  0.0437% (0.25   1.0   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    MET   92   6.76 +/- 0.14   2.262% *  0.0346% (0.20   1.0   0.02   1.56) =   0.001%
          QG1   ILE   56 - HN    MET   92   9.70 +/- 0.43   0.265% *  0.1338% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    MET   92  12.30 +/- 0.98   0.069% *  0.1570% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  14.31 +/- 1.91   0.029% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  16.45 +/- 1.42   0.014% *  0.1271% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  22.73 +/- 0.66   0.002% *  0.1616% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  23.45 +/- 0.86   0.001% *  0.1132% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  24.54 +/- 1.45   0.001% *  0.0390% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.55, residual support = 14.2:
          QB    ALA   91 - HN    MET   92   3.06 +/- 0.67  99.131% * 96.7005% (1.00   3.55  14.20) =  99.997%  kept
          QG2   ILE   56 - HN    MET   92   8.35 +/- 1.50   0.763% *  0.3750% (0.69   0.02   0.02) =   0.003%
          HG2   LYS+  74 - HN    MET   92  12.64 +/- 1.92   0.077% *  0.3531% (0.65   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  16.02 +/- 2.58   0.020% *  0.1080% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  21.10 +/- 0.95   0.002% *  0.5447% (1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  18.99 +/- 1.01   0.004% *  0.2657% (0.49   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  21.55 +/- 1.60   0.002% *  0.4735% (0.87   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  22.27 +/- 1.65   0.002% *  0.3311% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  25.01 +/- 0.47   0.001% *  0.3750% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  29.73 +/- 1.43   0.000% *  0.4735% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.10 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 7.84:
          HA    ILE   89 - HN    ALA   91   3.90 +/- 0.55  99.388% * 96.1994% (0.61   2.49   7.84) =  99.999%  kept
          HB3   SER   82 - HN    ALA   91  13.65 +/- 0.83   0.078% *  0.2232% (0.18   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   91  18.29 +/- 1.39   0.013% *  1.2058% (0.95   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    TRP   27  11.78 +/- 3.53   0.399% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  14.46 +/- 0.96   0.055% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  15.13 +/- 0.44   0.037% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  17.67 +/- 1.83   0.013% *  0.0955% (0.07   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  18.69 +/- 1.88   0.011% *  0.0647% (0.05   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  26.40 +/- 1.34   0.001% *  0.5715% (0.45   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  22.63 +/- 1.05   0.004% *  0.1490% (0.12   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  29.22 +/- 1.55   0.001% *  0.7731% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  30.60 +/- 2.12   0.001% *  0.5240% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.22 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.722, support = 4.96, residual support = 31.8:
          HB2   GLN   90 - HN    ALA   91   3.44 +/- 1.20  72.642% * 95.9477% (0.73   4.97  31.98) =  99.429%  kept
          HB2   GLU-  25 - HN    TRP   27   4.87 +/- 0.11  17.846% *  2.2156% (0.02   3.41   0.16) =   0.564%  kept
          HG3   GLU-  29 - HN    TRP   27   5.95 +/- 0.30   5.958% *  0.0590% (0.11   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    TRP   27   6.66 +/- 0.28   2.987% *  0.0346% (0.07   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ALA   91  13.04 +/- 1.16   0.061% *  0.1053% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    TRP   27   9.37 +/- 1.46   0.441% *  0.0130% (0.02   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  12.99 +/- 0.47   0.050% *  0.0164% (0.03   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  24.13 +/- 1.05   0.001% *  0.4772% (0.90   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  24.92 +/- 1.24   0.001% *  0.2800% (0.53   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  21.33 +/- 1.18   0.003% *  0.1053% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  19.31 +/- 0.33   0.004% *  0.0622% (0.12   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  20.06 +/- 1.65   0.004% *  0.0477% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  31.71 +/- 1.51   0.000% *  0.5034% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  27.29 +/- 1.58   0.001% *  0.1327% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.985, support = 4.95, residual support = 31.9:
          HB3   GLN   90 - HN    ALA   91   3.44 +/- 0.81  79.072% * 89.4223% (0.99   4.97  31.98) =  99.309%  kept
          HB2   MET   92 - HN    ALA   91   5.35 +/- 1.02   6.907% *  7.0764% (0.15   2.52  14.20) =   0.686%  kept
          HB3   GLN   30 - HN    TRP   27   5.15 +/- 0.79  12.758% *  0.0112% (0.03   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   91   9.56 +/- 1.24   0.249% *  0.3507% (0.97   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    ALA   91   9.84 +/- 2.19   0.409% *  0.0906% (0.25   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   91  13.07 +/- 2.15   0.063% *  0.3507% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.40 +/- 0.67   0.351% *  0.0449% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   91  13.65 +/- 1.16   0.045% *  0.3437% (0.95   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  13.34 +/- 1.61   0.047% *  0.2057% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  12.91 +/- 1.74   0.050% *  0.0433% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  20.37 +/- 1.26   0.004% *  0.3561% (0.98   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  20.51 +/- 1.62   0.004% *  0.3437% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  23.66 +/- 1.55   0.001% *  0.3633% (1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  16.63 +/- 1.40   0.010% *  0.0425% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  20.71 +/- 1.65   0.003% *  0.0906% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  18.77 +/- 1.55   0.005% *  0.0425% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  28.98 +/- 2.02   0.000% *  0.3354% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  19.98 +/- 1.55   0.003% *  0.0445% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  20.95 +/- 1.20   0.002% *  0.0440% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  22.36 +/- 1.92   0.002% *  0.0433% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  22.80 +/- 1.27   0.002% *  0.0414% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  19.55 +/- 0.44   0.004% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  21.55 +/- 1.59   0.003% *  0.0254% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  26.90 +/- 1.45   0.001% *  0.0906% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  30.97 +/- 1.47   0.000% *  0.1494% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  19.93 +/- 1.56   0.003% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  23.58 +/- 1.36   0.001% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  27.48 +/- 2.63   0.001% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.16 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.62, residual support = 14.6:
      O   QB    ALA   91 - HN    ALA   91   2.47 +/- 0.17  99.009% * 99.2924% (0.92  10.0   3.62  14.57) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   5.51 +/- 0.44   0.881% *  0.0055% (0.05   1.0   0.02   1.56) =   0.000%
          QG2   ILE   56 - HN    ALA   91  10.43 +/- 1.53   0.024% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.83 +/- 0.46   0.027% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  13.92 +/- 1.36   0.004% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.72 +/- 0.66   0.017% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  15.43 +/- 1.34   0.002% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  11.14 +/- 0.68   0.014% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  13.23 +/- 0.96   0.005% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  11.82 +/- 1.69   0.013% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  20.16 +/- 1.33   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  15.73 +/- 0.66   0.002% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  22.65 +/- 1.43   0.000% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  16.97 +/- 1.86   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  22.90 +/- 1.14   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  19.48 +/- 0.57   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  23.89 +/- 1.62   0.000% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  31.39 +/- 1.78   0.000% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  27.03 +/- 1.41   0.000% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  19.66 +/- 1.00   0.000% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (2.48, 6.80, 112.00 ppm):
    8 chemical-shift based assignments, quality = 0.326, support = 0.0198, residual support = 0.0198:
          HG2   GLU-  36 - HE22  GLN   32   8.28 +/- 1.62  73.964% *  7.7282% (0.20   0.02   0.02) =  54.695%  kept
          HB3   TRP   87 - HE22  GLN   90  10.43 +/- 0.64  24.880% * 18.6359% (0.49   0.02   0.02) =  44.366%  kept
          HG3   MET   96 - HE22  GLN   90  20.77 +/- 1.90   0.403% * 11.8170% (0.31   0.02   0.02) =   0.456%
          HG3   MET   96 - HE22  GLN   32  19.62 +/- 1.52   0.518% *  4.5337% (0.12   0.02   0.02) =   0.225%
          HG3   GLN  116 - HE22  GLN   90  28.63 +/- 2.29   0.055% * 21.6759% (0.57   0.02   0.02) =   0.114%
          HB3   TRP   87 - HE22  GLN   32  24.53 +/- 2.86   0.147% *  7.1499% (0.19   0.02   0.02) =   0.101%
          HG2   GLU-  36 - HE22  GLN   90  34.83 +/- 2.44   0.016% * 20.1433% (0.53   0.02   0.02) =   0.032%
          HG3   GLN  116 - HE22  GLN   32  35.08 +/- 2.14   0.015% *  8.3162% (0.22   0.02   0.02) =   0.012%
    Distance limit 5.50 A violated in 16 structures by 2.33 A, eliminated.
    Peak unassigned.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.16, residual support = 159.5:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  99.989% * 99.2019% (0.18  10.0   5.16 159.46) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  14.15 +/- 1.60   0.010% *  0.2329% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  21.55 +/- 1.64   0.001% *  0.5652% (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 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   3.31 +/- 0.17  99.875% * 99.3899% (0.61  10.0   3.13  12.53) = 100.000%  kept
          HA    ALA   34 - HN    LYS+ 102  10.99 +/- 1.55   0.091% *  0.0674% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  14.38 +/- 2.36   0.021% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  19.81 +/- 2.07   0.002% *  0.1624% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  20.04 +/- 1.36   0.002% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  18.72 +/- 1.84   0.003% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  20.66 +/- 1.81   0.002% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  20.04 +/- 2.36   0.002% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.82 +/- 1.65   0.001% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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   2.94 +/- 0.62  99.992% * 99.6785% (0.28  10.0   3.13  12.53) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.63 +/- 2.47   0.007% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  23.10 +/- 0.66   0.001% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.77, support = 0.02, residual support = 0.02:
          HG2   PRO   68 - HN    LYS+ 102  17.77 +/- 2.54  17.816% *  9.9106% (0.69   0.02   0.02) =  17.847%  kept
          QB    GLU- 114 - HN    LYS+ 102  17.84 +/- 1.19  14.488% * 12.0512% (0.84   0.02   0.02) =  17.648%  kept
          QB    GLU-  15 - HN    LYS+ 102  18.34 +/- 1.63  12.675% * 13.6482% (0.95   0.02   0.02) =  17.486%  kept
          HB    ILE   19 - HN    LYS+ 102  17.89 +/- 1.80  14.215% * 11.0262% (0.76   0.02   0.02) =  15.842%  kept
          HB3   PRO   68 - HN    LYS+ 102  18.72 +/- 1.71  11.294% *  8.7509% (0.61   0.02   0.02) =   9.990%  kept
          HG3   GLN   30 - HN    LYS+ 102  17.15 +/- 1.99  19.324% *  3.5976% (0.25   0.02   0.02) =   7.027%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.18 +/- 2.20   4.033% * 14.4279% (1.00   0.02   0.02) =   5.881%  kept
          HB2   GLN   17 - HN    LYS+ 102  22.98 +/- 1.82   3.204% * 13.6482% (0.95   0.02   0.02) =   4.421%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  23.46 +/- 1.69   2.951% * 12.9393% (0.90   0.02   0.02) =   3.860%  kept
    Distance limit 4.38 A violated in 20 structures by 8.38 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 4.63, residual support = 159.5:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.58 +/- 0.07  98.887% * 99.4444% (0.98  10.0   4.63 159.46) =  99.999%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.13 +/- 0.63   0.664% *  0.0455% (0.45   1.0   0.02  22.40) =   0.000%
          HB    VAL   41 - HN    LYS+ 102   7.40 +/- 1.79   0.429% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  11.79 +/- 1.90   0.017% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  17.03 +/- 1.26   0.001% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.45 +/- 1.22   0.000% *  0.0937% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.59 +/- 0.73   0.000% *  0.0994% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  19.54 +/- 2.22   0.001% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  22.99 +/- 1.73   0.000% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  27.06 +/- 1.90   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 = 3.89, residual support = 118.9:
          HG2   LYS+ 102 - HN    LYS+ 102   3.66 +/- 0.39  60.648% * 60.4028% (0.28   4.42 159.46) =  74.277%  kept
          QB    LEU   98 - HN    LYS+ 102   4.18 +/- 1.09  39.261% * 32.3115% (0.28   2.36   1.78) =  25.722%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  14.19 +/- 1.96   0.043% *  0.5568% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  16.33 +/- 2.79   0.013% *  0.7516% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  14.40 +/- 1.73   0.017% *  0.3691% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  18.31 +/- 2.33   0.004% *  0.9814% (1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  19.71 +/- 1.10   0.003% *  0.9814% (1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  19.55 +/- 1.18   0.003% *  0.8821% (0.90   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  18.67 +/- 1.59   0.004% *  0.5568% (0.57   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  21.98 +/- 3.41   0.002% *  0.9748% (0.99   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  22.46 +/- 2.72   0.001% *  0.7142% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  20.98 +/- 1.49   0.002% *  0.5175% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.05 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.572, support = 1.36, residual support = 0.858:
          QD2   LEU  104 - HN    LYS+ 102   4.22 +/- 1.17  51.314% * 24.7042% (0.95   0.19   0.02) =  51.298%  kept
          QD1   LEU   98 - HN    LYS+ 102   5.10 +/- 0.99  17.925% * 65.4902% (0.18   2.67   1.78) =  47.502%  kept
          QG1   VAL   41 - HN    LYS+ 102   5.47 +/- 1.74  30.384% *  0.9566% (0.34   0.02   0.02) =   1.176%  kept
          QG1   VAL   43 - HN    LYS+ 102   9.91 +/- 1.54   0.346% *  1.4754% (0.53   0.02   0.02) =   0.021%
          QD1   ILE   19 - HN    LYS+ 102  15.57 +/- 1.83   0.018% *  2.7981% (1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    LYS+ 102  17.19 +/- 1.26   0.008% *  2.1431% (0.76   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+ 102  18.64 +/- 1.64   0.006% *  2.4325% (0.87   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.43, residual support = 40.6:
      O   HA    ILE   89 - HN    GLN   90   2.71 +/- 0.48  99.967% * 99.5753% (0.61  10.0   6.43  40.58) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  12.01 +/- 1.12   0.032% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  19.56 +/- 1.25   0.001% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  26.75 +/- 1.73   0.000% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  29.41 +/- 1.90   0.000% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  31.32 +/- 2.56   0.000% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.15 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 6.03, residual support = 95.5:
          QG    GLN   90 - HN    GLN   90   2.00 +/- 0.18  99.805% * 97.9338% (0.90   6.03  95.54) = 100.000%  kept
          HG3   MET   92 - HN    GLN   90   7.51 +/- 2.51   0.193% *  0.2197% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLN   90  15.04 +/- 1.59   0.001% *  0.2631% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  20.87 +/- 1.51   0.000% *  0.3026% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  21.05 +/- 1.01   0.000% *  0.3591% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  22.98 +/- 1.78   0.000% *  0.2631% (0.73   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  20.67 +/- 1.11   0.000% *  0.0903% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  27.67 +/- 2.48   0.000% *  0.2769% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  26.26 +/- 2.05   0.000% *  0.2197% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  35.85 +/- 3.64   0.000% *  0.0717% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 95.5:
      O   HB3   GLN   90 - HN    GLN   90   3.36 +/- 0.43  95.601% * 99.1031% (0.92  10.0   5.59  95.54) =  99.998%  kept
          HB2   MET   92 - HN    GLN   90   6.91 +/- 1.87   3.626% *  0.0403% (0.38   1.0   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    GLN   90   8.54 +/- 1.21   0.692% *  0.1036% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   90  14.08 +/- 1.41   0.028% *  0.1052% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  15.23 +/- 2.42   0.025% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  15.40 +/- 1.70   0.016% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  20.32 +/- 1.95   0.003% *  0.0737% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  20.69 +/- 2.17   0.003% *  0.0565% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  21.10 +/- 1.18   0.002% *  0.0820% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  23.68 +/- 1.92   0.001% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  22.18 +/- 1.14   0.002% *  0.0239% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  30.15 +/- 2.20   0.000% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  31.10 +/- 1.66   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.28, residual support = 40.6:
          QG2   ILE   89 - HN    GLN   90   3.15 +/- 0.81 100.000% *100.0000% (0.65   7.28  40.58) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 5.87, residual support = 40.6:
          QD1   ILE   89 - HN    GLN   90   4.45 +/- 0.45  94.736% * 99.5454% (0.49   5.88  40.58) =  99.990%  kept
          QG2   VAL   83 - HN    GLN   90   7.90 +/- 0.97   4.477% *  0.1736% (0.25   0.02   0.02) =   0.008%
          QG2   VAL   75 - HN    GLN   90  10.76 +/- 1.57   0.742% *  0.1736% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   42 - HN    GLN   90  16.70 +/- 1.53   0.046% *  0.1074% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.26 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 8.27:
      O   HA    ALA   88 - HN    ILE   89   3.18 +/- 0.23  97.659% * 99.4024% (0.99  10.0   4.13   8.27) =  99.999%  kept
          QB    SER   85 - HN    ILE   89   5.99 +/- 0.43   2.210% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ILE   89  10.74 +/- 0.65   0.067% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  14.40 +/- 2.10   0.034% *  0.0968% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  13.58 +/- 1.90   0.024% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  22.89 +/- 2.90   0.001% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  21.42 +/- 1.85   0.001% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  21.43 +/- 2.27   0.001% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  25.72 +/- 2.67   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  22.70 +/- 2.15   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  26.62 +/- 1.67   0.000% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  24.42 +/- 2.07   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  28.91 +/- 2.11   0.000% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 6.01, residual support = 217.3:
      O   HA    ILE   89 - HN    ILE   89   2.70 +/- 0.20  99.997% * 99.5011% (0.34  10.0   6.01 217.33) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  19.09 +/- 2.29   0.001% *  0.2118% (0.73   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  18.57 +/- 1.75   0.001% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  24.88 +/- 2.34   0.000% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  27.39 +/- 2.52   0.000% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  30.58 +/- 2.57   0.000% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 5.58, residual support = 217.3:
      O   HB    ILE   89 - HN    ILE   89   2.55 +/- 0.55  99.850% * 99.6919% (0.45  10.0   5.58 217.33) = 100.000%  kept
          QD    LYS+  81 - HN    ILE   89   9.28 +/- 1.49   0.135% *  0.0997% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    ILE   89  12.77 +/- 2.15   0.014% *  0.1170% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  23.27 +/- 2.41   0.000% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.08 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.78, residual support = 217.3:
          HG12  ILE   89 - HN    ILE   89   2.72 +/- 0.68  98.367% * 97.9231% (0.76   5.78 217.33) =  99.998%  kept
          QB    ALA   91 - HN    ILE   89   6.61 +/- 1.34   1.616% *  0.1368% (0.31   0.02   7.84) =   0.002%
          HG2   LYS+  74 - HN    ILE   89  15.09 +/- 1.87   0.008% *  0.3845% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  17.92 +/- 3.15   0.006% *  0.3044% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  22.74 +/- 2.23   0.001% *  0.3975% (0.90   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  22.73 +/- 1.85   0.001% *  0.2867% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  25.06 +/- 2.27   0.000% *  0.3702% (0.84   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  21.63 +/- 2.10   0.001% *  0.1368% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  29.01 +/- 2.66   0.000% *  0.0600% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.13 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.37, residual support = 217.3:
          QG2   ILE   89 - HN    ILE   89   3.59 +/- 0.28  98.168% * 99.7868% (1.00   6.37 217.33) =  99.997%  kept
          QG1   VAL   83 - HN    ILE   89   7.50 +/- 0.76   1.827% *  0.1648% (0.53   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    ILE   89  19.71 +/- 2.34   0.005% *  0.0483% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 5.53, residual support = 217.3:
          HG13  ILE   89 - HN    ILE   89   3.83 +/- 0.35 100.000% *100.0000% (0.90   5.53 217.33) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.22 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 11.9:
      O   HA    ALA   88 - HN    ALA   88   2.23 +/- 0.01  99.983% * 99.0917% (0.84  10.0   1.63  11.86) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88   9.75 +/- 0.34   0.015% *  0.1303% (0.90   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  16.32 +/- 2.01   0.001% *  0.1425% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  15.98 +/- 1.85   0.001% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  21.33 +/- 2.86   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  22.91 +/- 3.52   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  23.01 +/- 2.01   0.000% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  26.03 +/- 3.23   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  24.94 +/- 2.14   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  25.72 +/- 2.43   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 2.01, residual support = 11.9:
      O   QB    ALA   88 - HN    ALA   88   2.88 +/- 0.10  93.402% * 99.1209% (0.73  10.0   2.01  11.86) =  99.998%  kept
          QB    ALA   84 - HN    ALA   88   4.59 +/- 0.20   6.146% *  0.0211% (0.15   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   88   7.79 +/- 1.33   0.356% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   88   9.37 +/- 0.57   0.086% *  0.0938% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  15.89 +/- 1.66   0.004% *  0.0612% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  18.87 +/- 3.41   0.002% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  20.04 +/- 2.98   0.001% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  18.04 +/- 3.45   0.003% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  22.74 +/- 2.19   0.000% *  0.0773% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  26.16 +/- 3.09   0.000% *  0.1365% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  29.39 +/- 3.13   0.000% *  0.1338% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  28.55 +/- 1.82   0.000% *  0.0421% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 74.4:
      O   HB2   TRP   87 - HN    TRP   87   3.68 +/- 0.05  99.964% * 99.8429% (0.73  10.0   3.84  74.42) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  14.51 +/- 0.95   0.029% *  0.0469% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  19.06 +/- 1.34   0.006% *  0.0889% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  25.31 +/- 2.73   0.001% *  0.0212% (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 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.96, residual support = 22.6:
          HB2   ASP-  86 - HN    TRP   87   2.64 +/- 0.27  99.967% * 97.4929% (0.80   3.96  22.56) = 100.000%  kept
          HB2   ASP-  78 - HN    TRP   87  13.32 +/- 0.95   0.021% *  0.3238% (0.53   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    TRP   87  16.07 +/- 2.95   0.003% *  0.6154% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  13.38 +/- 0.70   0.008% *  0.0949% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  22.07 +/- 3.04   0.000% *  0.6032% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  24.90 +/- 1.47   0.000% *  0.5939% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  22.73 +/- 3.26   0.000% *  0.2759% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 74.4:
      O   HB3   TRP   87 - HN    TRP   87   3.10 +/- 0.14  99.994% * 99.8532% (1.00  10.0   3.71  74.42) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  17.07 +/- 2.37   0.006% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  26.38 +/- 2.24   0.000% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.25, residual support = 5.3:
          QB    ALA   88 - HN    TRP   87   4.39 +/- 0.07  93.879% * 96.6968% (0.53   2.25   5.30) =  99.903%  kept
          QG2   THR   77 - HN    TRP   87   7.38 +/- 1.26   5.940% *  1.4647% (0.90   0.02   0.02) =   0.096%
          QG2   THR   23 - HN    TRP   87  13.61 +/- 1.62   0.140% *  0.8593% (0.53   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    TRP   87  17.31 +/- 2.78   0.035% *  0.3636% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  24.48 +/- 3.32   0.004% *  0.2520% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  27.53 +/- 3.32   0.002% *  0.3636% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.794, support = 2.14, residual support = 18.8:
          QD1   ILE   89 - HN    TRP   87   4.06 +/- 0.44  59.948% * 78.7644% (0.76   2.42  19.79) =  85.218%  kept
          QG2   VAL   83 - HN    TRP   87   4.41 +/- 0.61  39.956% * 20.4970% (0.97   0.50  12.99) =  14.781%  kept
          QD2   LEU   31 - HN    TRP   87  13.27 +/- 2.71   0.096% *  0.7386% (0.87   0.02   1.53) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 775 (0.10, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.5, support = 0.988, residual support = 14.2:
          QG2   VAL   83 - HE1   TRP   87   2.25 +/- 0.77  93.273% * 24.1858% (0.45   0.84  12.99) =  81.560%  kept
          QD1   ILE   89 - HE1   TRP   87   5.02 +/- 1.07   6.727% * 75.8142% (0.73   1.63  19.79) =  18.440%  kept
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.31, residual support = 13.3:
          QB    SER   85 - HN    ASP-  86   2.97 +/- 0.04  94.950% * 83.9929% (0.76   3.33  13.43) =  99.322%  kept
          HA    ALA   88 - HN    ASP-  86   4.99 +/- 0.04   4.193% * 12.9649% (0.69   0.57   0.02) =   0.677%  kept
          HB2   SER   82 - HN    ASP-  86   6.70 +/- 0.46   0.797% *  0.1018% (0.15   0.02   0.02) =   0.001%
          HB    THR   94 - HN    ASP-  86  11.68 +/- 2.26   0.040% *  0.1018% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ASP-  86  14.17 +/- 1.61   0.012% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  17.61 +/- 1.72   0.003% *  0.5914% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  16.53 +/- 1.74   0.005% *  0.2957% (0.45   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  20.91 +/- 3.96   0.001% *  0.4789% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  28.31 +/- 1.64   0.000% *  0.5508% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  29.60 +/- 2.29   0.000% *  0.5040% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  29.63 +/- 2.27   0.000% *  0.2711% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   3.02 +/- 0.16  99.992% * 95.3192% (0.61   2.25  10.83) = 100.000%  kept
          HB2   CYS   53 - HN    ASP-  86  17.24 +/- 1.25   0.003% *  1.3481% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  18.60 +/- 1.99   0.002% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  19.93 +/- 3.20   0.002% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  24.08 +/- 3.60   0.001% *  0.7909% (0.57   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  23.91 +/- 1.21   0.000% *  0.9596% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.08, residual support = 42.0:
      O   HB2   ASP-  86 - HN    ASP-  86   2.55 +/- 0.23  99.988% * 99.6258% (0.98  10.0   5.08  42.00) = 100.000%  kept
          HB2   ASN   28 - HN    ASP-  86  15.24 +/- 3.43   0.004% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  12.84 +/- 0.83   0.008% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  21.92 +/- 3.26   0.000% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  22.92 +/- 3.59   0.000% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  25.76 +/- 1.30   0.000% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 42.0:
      O   HB3   ASP-  86 - HN    ASP-  86   2.74 +/- 0.58  99.983% * 99.2823% (0.41  10.0   3.56  42.00) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  15.05 +/- 3.35   0.014% *  0.2394% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  18.78 +/- 3.22   0.003% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  26.75 +/- 3.72   0.000% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  25.93 +/- 1.56   0.000% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 +/- 0.09  98.732% * 99.3113% (0.76  10.0   3.15  18.14) =  99.999%  kept
          HA    ALA   88 - HN    SER   85   4.72 +/- 0.09   0.964% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    SER   85   5.77 +/- 0.19   0.291% *  0.0201% (0.15   1.0   0.02   2.96) =   0.000%
          QB    SER   48 - HN    SER   85  12.47 +/- 1.63   0.005% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  16.37 +/- 1.72   0.001% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  11.98 +/- 2.01   0.005% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  14.80 +/- 1.78   0.002% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  22.23 +/- 3.50   0.000% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  28.31 +/- 1.22   0.000% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  29.70 +/- 1.75   0.000% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  30.28 +/- 1.82   0.000% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 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   3.59 +/- 0.03  99.640% * 99.3529% (0.49  10.0   3.27  20.72) = 100.000%  kept
          HB2   TRP   49 - HN    SER   85  15.16 +/- 2.54   0.262% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    SER   85  12.09 +/- 1.38   0.080% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  17.90 +/- 2.85   0.014% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  25.09 +/- 2.35   0.001% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  25.82 +/- 1.75   0.001% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  22.96 +/- 1.14   0.002% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 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   2.73 +/- 0.12  99.351% * 95.9098% (1.00   3.87  20.72) =  99.998%  kept
          HB3   LEU   80 - HN    SER   85   6.44 +/- 0.34   0.635% *  0.2615% (0.53   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    SER   85  16.03 +/- 0.70   0.003% *  0.4970% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  15.93 +/- 1.17   0.003% *  0.3798% (0.76   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    SER   85  19.17 +/- 3.22   0.001% *  0.4797% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  16.62 +/- 1.75   0.002% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  19.58 +/- 3.11   0.001% *  0.3015% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  18.23 +/- 3.40   0.002% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  20.65 +/- 2.07   0.001% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  23.30 +/- 1.78   0.000% *  0.3215% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  24.64 +/- 4.05   0.000% *  0.2043% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  22.69 +/- 2.63   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  25.88 +/- 2.40   0.000% *  0.2419% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  23.79 +/- 3.28   0.000% *  0.1239% (0.25   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  29.69 +/- 1.54   0.000% *  0.4457% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  27.70 +/- 1.28   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.96, residual support = 18.3:
      O   HA    ALA   84 - HN    ALA   84   2.76 +/- 0.04  99.830% * 99.3529% (0.49  10.0   3.96  18.30) = 100.000%  kept
          HB2   TRP   49 - HN    ALA   84  14.25 +/- 2.44   0.087% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   84   9.50 +/- 1.42   0.078% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  17.54 +/- 2.97   0.004% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  24.27 +/- 1.89   0.000% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  23.92 +/- 2.43   0.000% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.27 +/- 1.27   0.001% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.35, residual support = 42.7:
          HB    VAL   83 - HN    ALA   84   3.24 +/- 0.34  99.898% * 97.8552% (0.99   5.35  42.69) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   84  14.04 +/- 1.31   0.026% *  0.1519% (0.41   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA   84  13.19 +/- 2.21   0.048% *  0.0647% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  15.31 +/- 1.23   0.012% *  0.1943% (0.53   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  21.32 +/- 3.17   0.002% *  0.2682% (0.73   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  16.27 +/- 1.47   0.009% *  0.0647% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  23.77 +/- 1.40   0.001% *  0.3565% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  25.35 +/- 2.44   0.001% *  0.3494% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  26.25 +/- 2.39   0.000% *  0.3661% (0.99   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  23.68 +/- 2.07   0.001% *  0.0921% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  23.70 +/- 2.35   0.001% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  30.23 +/- 1.93   0.000% *  0.1798% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.14 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.25, residual support = 18.3:
      O   QB    ALA   84 - HN    ALA   84   2.05 +/- 0.05  97.277% * 99.0428% (0.87  10.0   4.25  18.30) =  99.999%  kept
          HB3   LEU   80 - HN    ALA   84   4.02 +/- 0.49   2.719% *  0.0317% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   84  14.70 +/- 0.98   0.001% *  0.1024% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  14.25 +/- 1.76   0.001% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  13.83 +/- 1.35   0.001% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  17.84 +/- 3.15   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  18.78 +/- 3.08   0.000% *  0.0990% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  18.61 +/- 2.12   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  16.55 +/- 3.16   0.001% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  21.70 +/- 3.15   0.000% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  23.90 +/- 3.67   0.000% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  21.32 +/- 1.94   0.000% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  24.91 +/- 2.42   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  25.39 +/- 1.39   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  28.31 +/- 1.60   0.000% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  27.37 +/- 3.06   0.000% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.69, support = 5.89, residual support = 42.2:
          QG1   VAL   83 - HN    ALA   84   3.95 +/- 0.56  83.258% * 93.4373% (0.69   5.95  42.69) =  98.919%  kept
          QD2   LEU   80 - HN    ALA   84   5.42 +/- 0.52  16.561% *  5.1296% (0.95   0.24   0.02) =   1.080%  kept
          QD1   LEU   73 - HN    ALA   84  12.37 +/- 1.85   0.144% *  0.2774% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ALA   84  17.02 +/- 1.95   0.021% *  0.2774% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  18.92 +/- 2.08   0.010% *  0.4221% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  20.83 +/- 2.40   0.006% *  0.4563% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.10 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.761, support = 6.33, residual support = 42.4:
          QG2   VAL   83 - HN    ALA   84   3.15 +/- 0.73  91.446% * 89.4829% (0.76   6.39  42.69) =  98.997%  kept
          QD1   ILE   89 - HN    ALA   84   6.29 +/- 1.16   8.232% * 10.0697% (0.49   1.13  12.23) =   1.003%  kept
          QG2   VAL   43 - HN    ALA   84   9.56 +/- 2.20   0.279% *  0.0816% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    ALA   84  12.68 +/- 2.42   0.043% *  0.3658% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.1, residual support = 19.9:
          HB2   SER   82 - HN    VAL   83   3.36 +/- 0.19  99.598% * 97.0128% (0.75   4.10  19.88) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   8.70 +/- 0.17   0.353% *  0.2678% (0.43   0.02   0.02) =   0.001%
          HA    SER   48 - HN    VAL   83  14.60 +/- 1.36   0.020% *  0.3788% (0.60   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   83  16.25 +/- 3.33   0.012% *  0.4636% (0.74   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  19.59 +/- 1.94   0.003% *  0.4688% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  19.27 +/- 3.83   0.005% *  0.2489% (0.40   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  17.63 +/- 1.62   0.006% *  0.1613% (0.26   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  21.84 +/- 3.49   0.002% *  0.4242% (0.68   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  23.77 +/- 2.50   0.001% *  0.2869% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  26.75 +/- 2.17   0.000% *  0.2869% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 87.2:
      O   HA    VAL   83 - HN    VAL   83   2.80 +/- 0.02  99.993% * 99.4506% (0.46  10.0   4.70  87.17) = 100.000%  kept
          HB2   CYS   53 - HN    VAL   83  16.61 +/- 1.20   0.003% *  0.1582% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    VAL   83  17.17 +/- 3.28   0.003% *  0.0995% (0.46   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  18.81 +/- 1.80   0.001% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  23.08 +/- 1.61   0.000% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  23.69 +/- 3.40   0.000% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 87.2:
      O   HB    VAL   83 - HN    VAL   83   2.45 +/- 0.54  99.980% * 99.4176% (0.75  10.0   4.77  87.17) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  14.60 +/- 1.34   0.008% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  17.36 +/- 1.31   0.002% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  15.48 +/- 2.19   0.006% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  21.24 +/- 3.55   0.001% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.51 +/- 1.59   0.002% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  24.24 +/- 1.52   0.000% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  25.62 +/- 2.92   0.000% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  26.37 +/- 2.75   0.000% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  25.80 +/- 2.18   0.000% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  25.82 +/- 2.43   0.000% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  31.20 +/- 2.17   0.000% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.07 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.186, support = 0.0198, residual support = 0.0198:
          HB2   LEU   80 - HN    VAL   83   4.23 +/- 0.36  99.640% *  2.8578% (0.19   0.02   0.02) =  99.068%  kept
          HB3   LEU   73 - HN    VAL   83  13.92 +/- 2.20   0.120% *  9.9416% (0.65   0.02   0.02) =   0.415%
          HB3   LYS+  74 - HN    VAL   83  14.18 +/- 1.58   0.094% *  4.7118% (0.31   0.02   0.02) =   0.154%
          QB    LEU   98 - HN    VAL   83  16.84 +/- 3.02   0.043% *  7.8727% (0.52   0.02   0.02) =   0.116%
          HB    VAL   42 - HN    VAL   83  18.73 +/- 2.61   0.020% * 10.5799% (0.70   0.02   0.02) =   0.073%
          HG3   LYS+  33 - HN    VAL   83  20.50 +/- 3.64   0.013% * 11.0607% (0.73   0.02   0.02) =   0.050%
          HG3   LYS+ 106 - HN    VAL   83  19.76 +/- 3.45   0.019% *  7.4142% (0.49   0.02   0.02) =   0.048%
          HB3   PRO   93 - HN    VAL   83  16.56 +/- 1.14   0.035% *  1.7684% (0.12   0.02   0.02) =   0.021%
          HG3   LYS+ 102 - HN    VAL   83  23.80 +/- 4.07   0.006% *  9.5730% (0.63   0.02   0.02) =   0.019%
          QB    ALA   12 - HN    VAL   83  26.50 +/- 3.13   0.004% * 10.5799% (0.70   0.02   0.02) =   0.016%
          HG3   LYS+  65 - HN    VAL   83  25.97 +/- 1.61   0.002% * 10.5799% (0.70   0.02   0.02) =   0.008%
          HB2   LYS+ 112 - HN    VAL   83  26.88 +/- 2.48   0.002% *  8.7588% (0.58   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HN    VAL   83  26.82 +/- 3.44   0.002% *  4.3014% (0.28   0.02   0.02) =   0.004%
    Distance limit 3.75 A violated in 3 structures by 0.50 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 = 0.744, support = 5.3, residual support = 86.4:
          QG1   VAL   83 - HN    VAL   83   2.45 +/- 0.28  92.424% * 89.2686% (0.75   5.33  87.17) =  99.089%  kept
          QD2   LEU   80 - HN    VAL   83   4.32 +/- 0.63   7.445% * 10.1814% (0.31   1.47   0.02) =   0.910%  kept
          QG2   ILE   89 - HN    VAL   83   7.67 +/- 0.52   0.130% *  0.2048% (0.46   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   83  21.06 +/- 2.81   0.000% *  0.2184% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  20.20 +/- 2.23   0.000% *  0.1267% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 5.28, residual support = 87.2:
          QG2   VAL   83 - HN    VAL   83   3.28 +/- 0.63  98.689% * 99.3962% (0.74   5.28  87.17) =  99.995%  kept
          QD1   ILE   89 - HN    VAL   83   8.05 +/- 1.09   1.233% *  0.3708% (0.73   0.02   0.02) =   0.005%
          QD2   LEU   31 - HN    VAL   83  11.99 +/- 2.87   0.078% *  0.2330% (0.46   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 794 (4.01, 8.64, 114.33 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 4.32, residual support = 34.8:
      O   HB2   SER   82 - HN    SER   82   2.18 +/- 0.34  99.968% * 99.3063% (0.87  10.0   4.32  34.83) = 100.000%  kept
          HA    ALA   88 - HN    SER   82   9.47 +/- 0.25   0.027% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  14.03 +/- 1.59   0.003% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  17.66 +/- 3.05   0.001% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  20.68 +/- 1.35   0.000% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  23.46 +/- 3.07   0.000% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  21.12 +/- 3.43   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  25.61 +/- 1.82   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  17.76 +/- 1.66   0.001% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  28.29 +/- 1.73   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  27.47 +/- 2.87   0.000% *  0.0285% (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 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.71, residual support = 34.8:
      O   HB3   SER   82 - HN    SER   82   2.97 +/- 0.19  99.957% * 99.2682% (0.69  10.0   3.71  34.83) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  11.19 +/- 0.38   0.038% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  18.87 +/- 1.83   0.002% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  18.59 +/- 2.87   0.002% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  24.78 +/- 2.45   0.000% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  25.11 +/- 1.89   0.000% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  26.29 +/- 2.70   0.000% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  28.01 +/- 2.21   0.000% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.08, residual support = 19.1:
          QB    LYS+  81 - HN    SER   82   3.00 +/- 0.11  99.925% * 96.7198% (0.97   5.08  19.14) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82  11.52 +/- 1.96   0.049% *  0.3643% (0.92   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  15.55 +/- 2.73   0.009% *  0.1481% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  16.28 +/- 3.21   0.006% *  0.2076% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  18.24 +/- 2.45   0.003% *  0.3868% (0.98   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  19.94 +/- 2.73   0.003% *  0.2865% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  19.79 +/- 2.63   0.002% *  0.3423% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  21.38 +/- 1.55   0.001% *  0.3423% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  22.61 +/- 3.19   0.001% *  0.2711% (0.69   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  25.07 +/- 2.21   0.000% *  0.3016% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  29.50 +/- 2.70   0.000% *  0.2865% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  26.12 +/- 1.97   0.000% *  0.0879% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  31.03 +/- 1.64   0.000% *  0.2553% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (1.58, 8.64, 114.33 ppm):
    3 chemical-shift based assignments, quality = 0.249, support = 5.08, residual support = 19.1:
          QG    LYS+  81 - HN    SER   82   4.28 +/- 0.20  99.970% * 98.7596% (0.25   5.08  19.14) = 100.000%  kept
          HG3   ARG+  54 - HN    SER   82  20.22 +/- 2.72   0.017% *  0.7591% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    SER   82  20.96 +/- 3.31   0.013% *  0.4813% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.87 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 = 0.915, support = 4.18, residual support = 17.5:
          QG1   VAL   83 - HN    SER   82   4.48 +/- 0.33  64.604% * 78.8317% (0.95   4.53  19.88) =  88.101%  kept
          QD2   LEU   80 - HN    SER   82   5.17 +/- 0.81  33.964% * 20.2468% (0.69   1.60   0.19) =  11.896%  kept
          QG2   ILE   89 - HN    SER   82   8.65 +/- 0.49   1.279% *  0.1256% (0.34   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    SER   82  13.21 +/- 1.90   0.130% *  0.1137% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  21.39 +/- 1.98   0.006% *  0.2383% (0.65   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  22.96 +/- 2.35   0.004% *  0.3303% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  19.15 +/- 1.75   0.012% *  0.1137% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 106.8:
      O   QB    LYS+  81 - HN    LYS+  81   2.38 +/- 0.16  99.977% * 99.1460% (0.97  10.0   5.23 106.82) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81  11.10 +/- 2.13   0.015% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  17.93 +/- 2.65   0.002% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  14.93 +/- 2.70   0.002% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  16.09 +/- 2.40   0.002% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  18.37 +/- 2.07   0.001% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  19.72 +/- 1.90   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  20.02 +/- 1.70   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  23.35 +/- 2.51   0.000% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  24.97 +/- 1.65   0.000% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  24.38 +/- 2.16   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  29.72 +/- 1.75   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  30.16 +/- 1.32   0.000% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.34, residual support = 106.8:
          QG    LYS+  81 - HN    LYS+  81   2.27 +/- 0.27  99.997% * 98.8623% (0.97   5.34 106.82) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  14.05 +/- 1.24   0.002% *  0.1309% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  21.29 +/- 2.84   0.000% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  21.74 +/- 1.86   0.000% *  0.3631% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  24.76 +/- 2.20   0.000% *  0.1185% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  26.52 +/- 2.18   0.000% *  0.0855% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  28.28 +/- 1.87   0.000% *  0.0855% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.34, support = 5.33, residual support = 31.6:
          QD1   LEU   80 - HN    LYS+  81   3.99 +/- 0.33  78.181% * 21.3396% (0.15   5.19  31.57) =  50.167%  kept
          QD2   LEU   80 - HN    LYS+  81   5.13 +/- 0.60  21.645% * 76.5628% (0.53   5.46  31.57) =  49.831%  kept
          QD1   LEU   73 - HN    LYS+  81  12.92 +/- 1.33   0.094% *  0.4780% (0.90   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LYS+  81  18.38 +/- 1.54   0.011% *  0.4780% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LYS+  81  15.89 +/- 1.64   0.027% *  0.1482% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  20.27 +/- 1.42   0.006% *  0.4451% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  16.17 +/- 2.05   0.027% *  0.0822% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  20.54 +/- 1.91   0.005% *  0.3017% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  23.09 +/- 1.76   0.003% *  0.1645% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.562, support = 2.9, residual support = 11.0:
          HB2   ASP-  78 - HN    GLU-  79   3.39 +/- 0.55  37.216% * 70.8371% (0.60   3.69  15.26) =  59.709%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.03 +/- 0.68  62.751% * 28.3484% (0.51   1.73   4.59) =  40.291%  kept
          HB2   ASP-  86 - HN    GLU-  79  11.92 +/- 0.52   0.025% *  0.0531% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  15.36 +/- 1.05   0.005% *  0.1612% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  19.35 +/- 1.76   0.001% *  0.2064% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  19.64 +/- 1.31   0.001% *  0.1090% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  27.27 +/- 0.50   0.000% *  0.2848% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.0941, support = 3.97, residual support = 53.6:
      O   HB2   GLU-  79 - HN    GLU-  79   2.57 +/- 0.32  99.990% * 98.3341% (0.09  10.0   3.97  53.61) = 100.000%  kept
          HG3   GLU-  25 - HN    GLU-  79  14.81 +/- 1.33   0.004% *  0.4123% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  79  14.91 +/- 1.83   0.005% *  0.2857% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  20.91 +/- 1.65   0.001% *  0.5103% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  21.64 +/- 0.98   0.000% *  0.2174% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  25.97 +/- 1.40   0.000% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  27.90 +/- 0.98   0.000% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 3.83, residual support = 53.6:
      O   HB3   GLU-  79 - HN    GLU-  79   2.81 +/- 0.50  99.945% * 99.6469% (0.59  10.0   3.83  53.61) = 100.000%  kept
          HB2   GLN   90 - HN    GLU-  79  11.36 +/- 1.58   0.048% *  0.0789% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  79  17.81 +/- 1.00   0.003% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  16.78 +/- 0.92   0.004% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  22.70 +/- 1.21   0.001% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  28.73 +/- 0.78   0.000% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.07 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 3.95, residual support = 37.4:
      O   HB3   ASP-  78 - HN    ASP-  78   3.04 +/- 0.50  99.172% * 99.4250% (0.49  10.0   3.95  37.35) =  99.998%  kept
          QB    CYS   50 - HN    ASP-  78   8.08 +/- 0.96   0.501% *  0.1971% (0.97   1.0   0.02   0.02) =   0.001%
          QE    LYS+  74 - HN    ASP-  78   8.88 +/- 1.25   0.323% *  0.2002% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   PHE   72 - HN    ASP-  78  16.71 +/- 0.75   0.005% *  0.0455% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.85 +/- 0.43   0.000% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.976, support = 4.89, residual support = 36.3:
      O   HB2   ASP-  78 - HN    ASP-  78   2.51 +/- 0.40  88.025% * 81.6280% (0.98  10.0   4.88  37.35) =  97.059%  kept
          HB2   ASP-  76 - HN    ASP-  78   4.01 +/- 0.60  11.964% * 18.1990% (0.84   1.0   5.23   3.07) =   2.941%  kept
          HB2   ASP-  86 - HN    ASP-  78  12.17 +/- 0.49   0.008% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  16.89 +/- 0.72   0.001% *  0.0342% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.43 +/- 1.54   0.000% *  0.0438% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  19.14 +/- 1.22   0.001% *  0.0232% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.46 +/- 0.38   0.000% *  0.0605% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 4.61, residual support = 28.3:
      O   HA    THR   77 - HN    ASP-  78   3.49 +/- 0.04  99.864% * 99.9219% (0.92  10.0   4.61  28.32) = 100.000%  kept
          HD2   PRO   93 - HN    ASP-  78  12.49 +/- 1.85   0.069% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ASP-  78  12.07 +/- 0.62   0.062% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  19.07 +/- 1.00   0.004% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.41, residual support = 3.07:
          HA    ASP-  76 - HN    ASP-  78   3.49 +/- 0.17  99.999% * 99.6404% (0.95   2.41   3.07) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  24.07 +/- 1.33   0.001% *  0.3596% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.03, residual support = 37.8:
      O   HA    THR   77 - HN    THR   77   2.77 +/- 0.03  99.928% * 99.8846% (0.98  10.0   4.03  37.76) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77  10.60 +/- 1.66   0.046% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  11.11 +/- 0.59   0.026% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (2.90, 9.27, 119.07 ppm):
    6 chemical-shift based assignments, quality = 0.938, support = 3.5, residual support = 15.3:
          HB2   ASP-  76 - HN    THR   77   4.46 +/- 0.27  65.548% * 60.1807% (1.00   3.64  10.86) =  74.479%  kept
          HB2   ASP-  78 - HN    THR   77   5.04 +/- 0.42  34.400% * 39.2929% (0.76   3.10  28.32) =  25.521%  kept
          HB2   ASN   28 - HN    THR   77  16.07 +/- 0.71   0.032% *  0.0581% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  19.30 +/- 1.39   0.012% *  0.0827% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.30 +/- 0.38   0.002% *  0.3200% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  21.39 +/- 0.89   0.006% *  0.0656% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 10.9:
          HB3   ASP-  76 - HN    THR   77   4.15 +/- 0.30  97.002% * 95.2550% (0.57   3.64  10.86) =  99.988%  kept
          QG    GLN   90 - HN    THR   77   9.10 +/- 1.15   1.686% *  0.3155% (0.34   0.02   0.02) =   0.006%
          HG3   MET   92 - HN    THR   77  11.16 +/- 1.94   0.381% *  0.9250% (1.00   0.02   0.02) =   0.004%
          HB2   ASP-  44 - HN    THR   77   9.38 +/- 0.39   0.804% *  0.1831% (0.20   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    THR   77  17.12 +/- 0.67   0.021% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR   77  14.29 +/- 0.47   0.065% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  18.62 +/- 1.06   0.014% *  0.6354% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  20.00 +/- 0.88   0.009% *  0.7407% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  20.48 +/- 1.58   0.008% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  19.94 +/- 1.26   0.009% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  25.78 +/- 1.15   0.002% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 4.03, residual support = 37.8:
          QG2   THR   77 - HN    THR   77   2.04 +/- 0.16  99.901% * 96.0966% (0.61   4.03  37.76) = 100.000%  kept
          HB3   LEU   80 - HN    THR   77   7.40 +/- 1.07   0.071% *  0.3233% (0.41   0.02   0.60) =   0.000%
          HB3   ASP-  44 - HN    THR   77   8.79 +/- 0.80   0.022% *  0.1751% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   77  11.08 +/- 0.78   0.004% *  0.7440% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  17.17 +/- 0.98   0.000% *  0.4453% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  16.24 +/- 1.07   0.001% *  0.2427% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  19.56 +/- 1.77   0.000% *  0.5088% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  24.58 +/- 0.92   0.000% *  0.7053% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  27.28 +/- 0.48   0.000% *  0.7590% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.25 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   4.46 +/- 1.05  98.915% * 98.6324% (0.90   2.61   3.83) =  99.994%  kept
          QG1   VAL   42 - HN    THR   77  11.63 +/- 0.75   0.706% *  0.6742% (0.80   0.02   0.02) =   0.005%
          QB    ALA   64 - HN    THR   77  13.32 +/- 0.54   0.337% *  0.3160% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    THR   77  19.43 +/- 1.94   0.042% *  0.3775% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 5 structures by 0.49 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 84.4:
      O   HA    VAL   75 - HN    VAL   75   2.93 +/- 0.01  99.936% * 99.8428% (0.97  10.0   5.27  84.43) = 100.000%  kept
          HA    ALA   61 - HN    VAL   75  10.69 +/- 0.89   0.049% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    VAL   75  13.39 +/- 1.17   0.013% *  0.1014% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  17.72 +/- 1.37   0.002% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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   4.53 +/- 0.23  97.346% * 87.0932% (0.87   0.75   0.75) =  99.940%  kept
          HB3   PHE   72 - HN    VAL   75   8.72 +/- 0.45   2.052% *  2.0462% (0.76   0.02   0.02) =   0.049%
          QG    GLN   90 - HN    VAL   75  13.21 +/- 1.29   0.211% *  1.8392% (0.69   0.02   0.02) =   0.005%
          QG    GLU-  15 - HN    VAL   75  15.02 +/- 1.35   0.082% *  2.5328% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    VAL   75  16.23 +/- 1.54   0.060% *  2.2364% (0.84   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    VAL   75  13.43 +/- 0.76   0.158% *  0.4689% (0.18   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    VAL   75  15.27 +/- 1.00   0.074% *  0.9133% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    VAL   75  24.63 +/- 2.49   0.006% *  2.4012% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    VAL   75  21.17 +/- 0.97   0.010% *  0.4689% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.15 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 = 0.215, support = 4.3, residual support = 30.9:
          HB3   LYS+  74 - HN    VAL   75   4.12 +/- 0.27  90.756% * 42.9779% (0.20   4.40  31.88) =  96.773%  kept
          HG    LEU   73 - HN    VAL   75   7.68 +/- 0.44   2.529% * 49.7901% (0.76   1.32   0.35) =   3.124%  kept
          HG    LEU   80 - HN    VAL   75   8.71 +/- 2.15   2.058% *  0.8555% (0.87   0.02   0.50) =   0.044%
          HB2   LEU   80 - HN    VAL   75   8.09 +/- 2.02   3.009% *  0.3364% (0.34   0.02   0.50) =   0.025%
          QB    ALA   61 - HN    VAL   75   9.65 +/- 1.03   0.892% *  0.9667% (0.98   0.02   0.02) =   0.021%
          HG12  ILE   19 - HN    VAL   75  10.52 +/- 0.78   0.381% *  0.7537% (0.76   0.02   0.02) =   0.007%
          QB    ALA  110 - HN    VAL   75  12.66 +/- 2.04   0.154% *  0.8238% (0.84   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    VAL   75  15.70 +/- 1.20   0.036% *  0.9841% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   75  16.09 +/- 1.09   0.031% *  0.9104% (0.92   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  14.68 +/- 1.09   0.053% *  0.2742% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    VAL   75  14.65 +/- 0.81   0.052% *  0.2742% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    VAL   75  15.75 +/- 1.25   0.035% *  0.1952% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  21.38 +/- 0.84   0.005% *  0.6380% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  19.75 +/- 1.52   0.009% *  0.2196% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 5.67, residual support = 31.9:
          HG2   LYS+  74 - HN    VAL   75   3.06 +/- 0.66  98.885% * 95.2132% (0.45   5.67  31.88) =  99.994%  kept
          QG2   ILE   56 - HN    VAL   75   9.17 +/- 1.93   0.492% *  0.6497% (0.87   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    VAL   75  10.06 +/- 0.52   0.160% *  0.7229% (0.97   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    VAL   75   9.52 +/- 0.95   0.274% *  0.2555% (0.34   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    VAL   75  10.78 +/- 0.50   0.082% *  0.5145% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    VAL   75  12.20 +/- 0.44   0.042% *  0.5145% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  13.85 +/- 0.66   0.021% *  0.7229% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  12.92 +/- 1.22   0.041% *  0.3079% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  19.54 +/- 0.83   0.003% *  0.3646% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  22.42 +/- 0.87   0.001% *  0.7342% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.942, support = 4.52, residual support = 83.9:
      O   HB    VAL   75 - HN    VAL   75   2.62 +/- 0.36  94.379% * 86.0284% (0.95  10.0   4.51  84.43) =  99.064%  kept
          HG3   LYS+  74 - HN    VAL   75   4.41 +/- 0.39   5.574% * 13.7583% (0.49   1.0   6.22  31.88) =   0.936%  kept
          QD1   LEU   67 - HN    VAL   75  12.24 +/- 1.18   0.016% *  0.0660% (0.73   1.0   0.02   0.02) =   0.000%
          QD2   LEU   40 - HN    VAL   75  13.07 +/- 0.66   0.011% *  0.0695% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  14.10 +/- 0.66   0.006% *  0.0552% (0.61   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  12.58 +/- 1.17   0.014% *  0.0227% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.638, support = 0.696, residual support = 1.5:
          QG2   THR   46 - HN    VAL   75   3.84 +/- 0.58  78.826% * 22.5367% (0.69   0.42   1.97) =  72.231%  kept
          QD2   LEU   73 - HN    VAL   75   6.45 +/- 1.20  10.074% * 54.6635% (0.41   1.70   0.35) =  22.390%  kept
          QG1   VAL   43 - HN    VAL   75   6.36 +/- 1.19   7.153% * 17.9069% (0.97   0.24   0.02) =   5.208%  kept
          QG2   VAL   18 - HN    VAL   75   7.25 +/- 1.05   2.814% *  1.2532% (0.80   0.02   0.02) =   0.143%
          QD1   ILE   19 - HN    VAL   75   9.42 +/- 0.48   0.447% *  0.5339% (0.34   0.02   0.02) =   0.010%
          QG1   VAL   41 - HN    VAL   75  11.96 +/- 0.34   0.103% *  1.5616% (1.00   0.02   0.02) =   0.007%
          HG    LEU   31 - HN    VAL   75  11.35 +/- 1.11   0.161% *  0.8861% (0.57   0.02   0.02) =   0.006%
          QD1   ILE   56 - HN    VAL   75  10.38 +/- 1.51   0.408% *  0.3097% (0.20   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    VAL   75  16.37 +/- 0.91   0.015% *  0.3484% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 84.4:
          QG1   VAL   75 - HN    VAL   75   3.52 +/- 0.24  99.923% * 99.6866% (0.92   5.27  84.43) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  12.65 +/- 1.87   0.077% *  0.3134% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 5.12, residual support = 84.4:
          QG2   VAL   75 - HN    VAL   75   3.06 +/- 0.53  99.289% * 99.5284% (0.49   5.12  84.43) =  99.998%  kept
          QG2   VAL   42 - HN    VAL   75   8.84 +/- 1.01   0.415% *  0.2724% (0.34   0.02   0.02) =   0.001%
          QD1   ILE   89 - HN    VAL   75   9.67 +/- 2.00   0.296% *  0.1992% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.78 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 = 0.7, support = 4.38, residual support = 185.6:
      O   HB3   LYS+  74 - HN    LYS+  74   2.65 +/- 0.30  76.260% * 95.4247% (0.71  10.0   4.37 187.42) =  98.762%  kept
          HB3   LEU   73 - HN    LYS+  74   3.43 +/- 0.57  22.898% *  3.9814% (0.11   1.0   5.40  40.40) =   1.237%  kept
          HG12  ILE   19 - HN    LYS+  74   6.26 +/- 0.65   0.574% *  0.0580% (0.43   1.0   0.02   8.39) =   0.000%
          HB2   LEU   80 - HN    LYS+  74  10.43 +/- 2.09   0.033% *  0.0923% (0.68   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74   9.26 +/- 1.40   0.076% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  74  10.54 +/- 2.30   0.036% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   8.55 +/- 0.63   0.080% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  16.84 +/- 2.22   0.011% *  0.0580% (0.43   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  12.57 +/- 0.69   0.008% *  0.0830% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.23 +/- 1.05   0.010% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  15.52 +/- 1.90   0.003% *  0.0503% (0.37   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  13.41 +/- 1.19   0.006% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  13.32 +/- 1.25   0.006% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  20.50 +/- 1.44   0.000% *  0.0956% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 5.73, residual support = 40.4:
          QD2   LEU   73 - HN    LYS+  74   3.79 +/- 0.23  99.509% * 97.2451% (0.20   5.73  40.40) =  99.998%  kept
          HG    LEU   31 - HN    LYS+  74  10.13 +/- 0.91   0.360% *  0.2136% (0.12   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  74  12.42 +/- 1.54   0.114% *  0.6417% (0.37   0.02   0.02) =   0.001%
          QD2   LEU  123 - HN    LYS+  74  18.22 +/- 2.06   0.013% *  0.6906% (0.40   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  20.77 +/- 1.11   0.004% *  1.2090% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.14 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.59, residual support = 40.4:
          HB2   LEU   73 - HN    LYS+  74   3.40 +/- 0.50  99.843% * 97.9185% (0.64   5.59  40.40) = 100.000%  kept
          QG1   ILE   56 - HN    LYS+  74  12.42 +/- 0.99   0.084% *  0.2211% (0.40   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  15.82 +/- 1.42   0.017% *  0.3871% (0.70   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  17.20 +/- 0.69   0.009% *  0.3897% (0.71   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  16.47 +/- 0.59   0.011% *  0.2985% (0.54   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  15.16 +/- 1.08   0.020% *  0.1332% (0.24   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  17.84 +/- 0.73   0.007% *  0.1751% (0.32   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  21.81 +/- 1.84   0.003% *  0.1466% (0.27   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  19.43 +/- 0.93   0.004% *  0.0773% (0.14   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  23.62 +/- 1.22   0.001% *  0.2527% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.476, support = 0.02, residual support = 0.02:
          HB2   LEU   71 - HN    LYS+  74   9.20 +/- 0.31  61.046% *  5.8297% (0.27   0.02   0.02) =  41.960%  kept
          HB    VAL   41 - HN    LYS+  74  11.56 +/- 0.85  16.834% * 15.4986% (0.71   0.02   0.02) =  30.762%  kept
          QB    LYS+  66 - HN    LYS+  74  14.00 +/- 0.52   5.174% * 14.9905% (0.68   0.02   0.02) =   9.145%  kept
          QB    LYS+  65 - HN    LYS+  74  12.94 +/- 0.88   8.986% *  6.3858% (0.29   0.02   0.02) =   6.765%  kept
          HG2   PRO   93 - HN    LYS+  74  15.43 +/- 0.98   3.088% * 11.8708% (0.54   0.02   0.02) =   4.322%  kept
          HG12  ILE  103 - HN    LYS+  74  15.98 +/- 0.68   2.302% * 14.6936% (0.67   0.02   0.02) =   3.988%  kept
          HB3   PRO   52 - HN    LYS+  74  18.29 +/- 1.11   1.068% * 11.2793% (0.51   0.02   0.02) =   1.420%  kept
          QB    LYS+ 102 - HN    LYS+  74  18.46 +/- 0.84   0.984% *  8.1723% (0.37   0.02   0.02) =   0.948%  kept
          HG    LEU  123 - HN    LYS+  74  21.17 +/- 1.99   0.519% * 11.2793% (0.51   0.02   0.02) =   0.690%  kept
    Distance limit 4.44 A violated in 20 structures by 4.03 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.78, support = 4.65, residual support = 34.8:
          HB3   PHE   72 - HN    LEU   73   3.66 +/- 0.37  70.421% * 69.1656% (0.76   5.13  39.64) =  85.000%  kept
          HB2   ASP-  44 - HN    LEU   73   4.45 +/- 0.74  29.229% * 29.4033% (0.87   1.92   7.31) =  14.998%  kept
          QG    GLU-  15 - HN    LEU   73  10.19 +/- 1.42   0.231% *  0.3338% (0.95   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    LEU   73  13.00 +/- 1.63   0.055% *  0.2947% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  13.08 +/- 1.14   0.040% *  0.1203% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  18.06 +/- 1.25   0.006% *  0.2424% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  20.91 +/- 2.33   0.003% *  0.3164% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  16.28 +/- 1.05   0.011% *  0.0618% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  17.94 +/- 0.59   0.006% *  0.0618% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 6.14, residual support = 170.8:
      O   HB2   LEU   73 - HN    LEU   73   3.49 +/- 0.46  99.688% * 99.3783% (0.99  10.0   6.14 170.80) = 100.000%  kept
          QD    LYS+ 106 - HN    LEU   73  13.18 +/- 1.20   0.054% *  0.0899% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LEU   73  13.45 +/- 0.69   0.040% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  11.28 +/- 0.92   0.117% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  14.84 +/- 0.70   0.021% *  0.0689% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  16.16 +/- 0.53   0.012% *  0.0994% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  13.70 +/- 0.72   0.033% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  16.40 +/- 0.77   0.012% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  18.03 +/- 2.00   0.007% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  15.97 +/- 0.58   0.014% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  21.79 +/- 1.18   0.002% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.07 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.419, support = 6.07, residual support = 159.9:
      O   HB3   LEU   73 - HN    LEU   73   3.26 +/- 0.46  72.385% * 63.6478% (0.41  10.0   6.26 170.80) =  93.352%  kept
          HB    VAL   42 - HN    LEU   73   4.20 +/- 0.64  22.480% * 12.8478% (0.49   1.0   3.41   1.54) =   5.852%  kept
          HB3   LYS+  74 - HN    LEU   73   6.32 +/- 0.38   1.733% * 22.5598% (0.87   1.0   3.36  40.40) =   0.792%  kept
          HG12  ILE   19 - HN    LEU   73   6.30 +/- 1.21   3.014% *  0.0430% (0.28   1.0   0.02   4.00) =   0.003%
          QB    LEU   98 - HN    LEU   73   9.39 +/- 0.65   0.168% *  0.1545% (1.00   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    LEU   73  11.10 +/- 0.74   0.051% *  0.0877% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  17.03 +/- 2.06   0.025% *  0.1429% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  13.02 +/- 2.24   0.030% *  0.1063% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  12.19 +/- 1.01   0.039% *  0.0754% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  12.99 +/- 2.63   0.036% *  0.0306% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  16.60 +/- 1.44   0.006% *  0.1293% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  13.67 +/- 0.87   0.017% *  0.0345% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  14.68 +/- 1.50   0.013% *  0.0345% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  17.63 +/- 0.98   0.004% *  0.0581% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  20.18 +/- 1.76   0.002% *  0.0478% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.97, support = 7.8, residual support = 168.0:
          QD2   LEU   73 - HN    LEU   73   2.86 +/- 0.74  85.622% * 82.5314% (0.98   7.87 170.80) =  98.276%  kept
          QG1   VAL   43 - HN    LEU   73   4.98 +/- 0.47   7.326% * 16.8668% (0.38   4.20   7.90) =   1.718%  kept
          QG2   VAL   18 - HN    LEU   73   5.37 +/- 0.96   6.349% *  0.0424% (0.20   0.02   0.02) =   0.004%
          QG1   VAL   41 - HN    LEU   73   7.93 +/- 0.40   0.374% *  0.1212% (0.57   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   73   8.80 +/- 0.87   0.207% *  0.2135% (1.00   0.02   3.33) =   0.001%
          QD1   ILE   56 - HN    LEU   73  11.34 +/- 1.37   0.118% *  0.1714% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  16.75 +/- 1.06   0.004% *  0.0534% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 6.11, residual support = 169.9:
          QD1   LEU   73 - HN    LEU   73   4.12 +/- 0.20  81.133% * 93.9536% (0.57   6.14 170.80) =  99.455%  kept
          QG2   VAL   41 - HN    LEU   73   6.09 +/- 0.43   8.524% *  4.5012% (0.61   0.27   0.02) =   0.501%  kept
          QD1   LEU   63 - HN    LEU   73   7.30 +/- 1.19   4.509% *  0.3058% (0.57   0.02   0.02) =   0.018%
          QD2   LEU   63 - HN    LEU   73   8.18 +/- 1.35   2.457% *  0.5402% (1.00   0.02   0.02) =   0.017%
          QD2   LEU   98 - HN    LEU   73   8.08 +/- 1.16   2.274% *  0.2221% (0.41   0.02   0.02) =   0.007%
          QD1   LEU   80 - HN    LEU   73  11.12 +/- 2.19   0.332% *  0.2221% (0.41   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   73  10.12 +/- 1.90   0.516% *  0.1203% (0.22   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   73  12.14 +/- 2.11   0.255% *  0.1347% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.504, support = 1.07, residual support = 1.27:
          QG1   VAL   42 - HN    LEU   73   3.05 +/- 1.07  92.816% * 23.0996% (0.45   0.88   1.54) =  79.812%  kept
          QB    ALA   64 - HN    LEU   73   5.80 +/- 0.59   7.132% * 76.0370% (0.73   1.80   0.19) =  20.187%  kept
          QB    ALA   47 - HN    LEU   73  13.11 +/- 0.33   0.047% *  0.6594% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    LEU   73  19.35 +/- 2.51   0.005% *  0.2040% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.261, support = 1.93, residual support = 7.82:
          QG2   VAL   43 - HN    LEU   73   4.91 +/- 0.97  71.238% * 91.8296% (0.25   1.96   7.90) =  98.399%  kept
          QD2   LEU   31 - HN    LEU   73   6.09 +/- 0.90  27.506% *  3.7574% (1.00   0.02   3.33) =   1.555%  kept
          QG2   VAL   83 - HN    LEU   73  11.27 +/- 2.44   0.911% *  2.7284% (0.73   0.02   0.02) =   0.037%
          QD1   ILE   89 - HN    LEU   73  13.03 +/- 1.84   0.345% *  1.6846% (0.45   0.02   0.02) =   0.009%
    Distance limit 4.45 A violated in 2 structures by 0.35 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.53, support = 5.01, residual support = 89.9:
      O   HB2   PHE   72 - HN    PHE   72   2.81 +/- 0.54  96.629% * 79.5646% (0.53  10.0   5.03  90.36) =  99.135%  kept
          HA    ALA   64 - HN    PHE   72   6.08 +/- 0.79   3.292% * 20.3822% (0.97   1.0   2.79  38.83) =   0.865%  kept
          HB3   ASN   69 - HN    PHE   72  10.11 +/- 0.39   0.071% *  0.0233% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  14.01 +/- 0.94   0.008% *  0.0299% (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 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.23, residual support = 90.4:
      O   HB3   PHE   72 - HN    PHE   72   3.26 +/- 0.56  94.818% * 99.3598% (0.76  10.0   5.23  90.36) =  99.993%  kept
          QG    GLU-  15 - HN    PHE   72   6.55 +/- 1.49   4.325% *  0.1230% (0.95   1.0   0.02   0.02) =   0.006%
          HB2   ASP-  44 - HN    PHE   72   8.33 +/- 0.74   0.484% *  0.1128% (0.87   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    PHE   72  10.24 +/- 1.64   0.310% *  0.1086% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  14.31 +/- 1.11   0.021% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   72  17.71 +/- 2.01   0.006% *  0.1166% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  13.93 +/- 1.50   0.032% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  21.90 +/- 1.24   0.002% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  22.04 +/- 0.66   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.987, support = 3.95, residual support = 19.4:
          HG    LEU   71 - HN    PHE   72   4.37 +/- 0.95  54.100% * 90.2835% (0.99   4.09  20.12) =  96.297%  kept
          HG13  ILE   19 - HN    PHE   72   5.01 +/- 0.99  31.542% *  4.4447% (0.95   0.21   0.02) =   2.764%  kept
          QG2   THR   39 - HN    PHE   72   5.76 +/- 0.72  13.550% *  3.4926% (0.65   0.24   0.02) =   0.933%  kept
          HG2   LYS+  74 - HN    PHE   72   9.81 +/- 1.06   0.551% *  0.4444% (1.00   0.02   0.02) =   0.005%
          HG3   LYS+  99 - HN    PHE   72  12.94 +/- 1.45   0.117% *  0.4454% (1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    PHE   72  14.58 +/- 1.06   0.046% *  0.1672% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    PHE   72  13.43 +/- 1.39   0.073% *  0.0992% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  17.99 +/- 0.52   0.011% *  0.2881% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  20.72 +/- 1.76   0.006% *  0.1831% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  23.44 +/- 1.69   0.003% *  0.1519% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.09 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.961, support = 5.38, residual support = 20.2:
          QD2   LEU   71 - HN    PHE   72   3.16 +/- 0.40  92.443% * 91.3150% (0.97   5.41  20.12) =  99.373%  kept
          QD1   LEU   67 - HN    PHE   72   6.13 +/- 1.69   7.020% *  7.5733% (0.31   1.40  35.15) =   0.626%  kept
          QD2   LEU   40 - HN    PHE   72   8.35 +/- 0.72   0.338% *  0.0973% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    PHE   72  10.14 +/- 0.71   0.114% *  0.1840% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    PHE   72  12.27 +/- 1.49   0.047% *  0.3376% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.29 +/- 0.93   0.021% *  0.3490% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.67 +/- 0.44   0.017% *  0.1438% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (4.02, 9.36, 127.59 ppm):
    8 chemical-shift based assignments, quality = 0.436, support = 1.49, residual support = 15.2:
          HA    VAL   18 - HN    PHE   72   4.19 +/- 0.69  82.753% * 26.9254% (0.31   1.50   6.77) =  73.878%  kept
          HA    VAL   70 - HN    PHE   72   6.06 +/- 0.15  11.318% * 69.2664% (0.80   1.49  39.31) =  25.994%  kept
          HA1   GLY   16 - HN    PHE   72   7.25 +/- 1.25   4.695% *  0.6124% (0.53   0.02   0.02) =   0.095%
          HB2   SER   37 - HN    PHE   72  10.20 +/- 0.85   0.689% *  1.0097% (0.87   0.02   0.02) =   0.023%
          HA    LYS+  33 - HN    PHE   72  11.34 +/- 1.05   0.386% *  0.5666% (0.49   0.02   0.02) =   0.007%
          HA    GLU-  29 - HN    PHE   72  13.37 +/- 0.98   0.129% *  0.3971% (0.34   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    PHE   72  17.41 +/- 1.46   0.026% *  0.9321% (0.80   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    PHE   72  22.10 +/- 2.00   0.005% *  0.2903% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.25, residual support = 32.7:
          HB    VAL   70 - HN    LEU   71   4.04 +/- 0.17  98.268% * 98.9311% (0.98   6.25  32.68) =  99.997%  kept
          QG    GLN   17 - HN    LEU   71  10.79 +/- 1.10   0.325% *  0.3220% (1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    LEU   71  10.42 +/- 0.69   0.370% *  0.2088% (0.65   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    LEU   71   9.98 +/- 1.07   0.576% *  0.0719% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   71  10.18 +/- 0.70   0.442% *  0.0897% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  18.67 +/- 0.68   0.011% *  0.3199% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  19.32 +/- 0.53   0.008% *  0.0565% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 6.37, residual support = 138.7:
      O   HB2   LEU   71 - HN    LEU   71   2.65 +/- 0.21  99.415% * 99.5111% (0.98  10.0   6.37 138.72) = 100.000%  kept
          HB    VAL   41 - HN    LEU   71   6.70 +/- 0.62   0.485% *  0.0455% (0.45   1.0   0.02   4.34) =   0.000%
          QB    LYS+  66 - HN    LEU   71   9.86 +/- 0.58   0.043% *  0.0657% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.75 +/- 0.46   0.014% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  12.44 +/- 1.32   0.012% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  11.64 +/- 1.09   0.018% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  12.16 +/- 0.64   0.013% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  19.78 +/- 0.79   0.001% *  0.0910% (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 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.969, support = 5.55, residual support = 130.0:
          HG    LEU   71 - HN    LEU   71   3.99 +/- 0.80  27.031% * 95.9788% (0.99   5.91 138.72) =  93.719%  kept
          QG2   THR   39 - HN    LEU   71   3.13 +/- 0.50  72.294% *  2.4022% (0.65   0.23   0.23) =   6.273%  kept
          HG3   LYS+  99 - HN    LEU   71   8.57 +/- 1.52   0.394% *  0.3277% (1.00   0.02   0.02) =   0.005%
          HG13  ILE   19 - HN    LEU   71   8.97 +/- 1.00   0.209% *  0.3100% (0.95   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    LEU   71  10.87 +/- 0.92   0.048% *  0.1230% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LEU   71  13.36 +/- 1.02   0.014% *  0.3269% (1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   71  14.91 +/- 1.37   0.007% *  0.0730% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   71  19.55 +/- 0.95   0.001% *  0.2120% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LEU   71  21.97 +/- 2.03   0.001% *  0.1347% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  23.61 +/- 1.69   0.000% *  0.1118% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.905, support = 5.96, residual support = 87.6:
          QD1   LEU   71 - HN    LEU   71   3.73 +/- 0.84  54.086% * 46.8238% (0.84   6.09 138.72) =  51.802%  kept
          QG1   VAL   70 - HN    LEU   71   3.97 +/- 0.20  44.806% * 52.5856% (0.98   5.83  32.68) =  48.195%  kept
          QG1   VAL   18 - HN    LEU   71   8.75 +/- 0.83   0.458% *  0.1842% (1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU   71   9.17 +/- 1.41   0.451% *  0.1265% (0.69   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   71  12.05 +/- 1.97   0.111% *  0.1538% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU   71  11.53 +/- 0.78   0.080% *  0.0896% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  16.77 +/- 0.72   0.007% *  0.0364% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 32.7:
          QG2   VAL   70 - HN    LEU   71   2.28 +/- 0.15 100.000% *100.0000% (0.73   6.46  32.68) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.5:
      O   HB    VAL   70 - HN    VAL   70   2.68 +/- 0.36  99.820% * 99.6297% (0.76  10.0   4.31  81.50) = 100.000%  kept
          QG    GLN   17 - HN    VAL   70   9.50 +/- 1.34   0.149% *  0.1089% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   70  11.88 +/- 1.10   0.022% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  13.76 +/- 0.51   0.008% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  22.18 +/- 0.94   0.000% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.92 +/- 1.25   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.715, support = 0.485, residual support = 3.44:
          HB3   LEU   67 - HN    VAL   70   4.14 +/- 1.02  71.090% * 11.4211% (0.87   0.24   0.42) =  56.149%  kept
          HG    LEU   67 - HN    VAL   70   5.48 +/- 0.82  22.915% * 21.2333% (0.49   0.79   0.42) =  33.648%  kept
          HG    LEU   40 - HN    VAL   70   7.07 +/- 0.91   3.760% * 32.8855% (0.61   0.98  35.85) =   8.552%  kept
          QG    LYS+  66 - HN    VAL   70   8.79 +/- 0.80   1.078% * 17.2989% (0.98   0.32   0.02) =   1.290%  kept
          HG    LEU   73 - HN    VAL   70  10.41 +/- 1.03   0.366% * 13.0501% (0.99   0.24   0.02) =   0.330%
          HG12  ILE   19 - HN    VAL   70   9.84 +/- 1.34   0.539% *  0.4565% (0.41   0.02   0.02) =   0.017%
          QB    ALA   61 - HN    VAL   70  11.05 +/- 0.70   0.212% *  0.8063% (0.73   0.02   0.02) =   0.012%
          HG2   LYS+ 102 - HN    VAL   70  17.56 +/- 1.18   0.013% *  1.0503% (0.95   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   70  17.26 +/- 1.64   0.015% *  0.6734% (0.61   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    VAL   70  19.02 +/- 1.38   0.008% *  0.5404% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  22.25 +/- 2.67   0.004% *  0.5842% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.05 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.924, support = 4.83, residual support = 81.2:
          QG1   VAL   70 - HN    VAL   70   2.53 +/- 0.51  98.957% * 53.2777% (0.92   4.83  81.50) =  99.382%  kept
          QD1   LEU   71 - HN    VAL   70   6.52 +/- 1.06   0.711% * 46.0033% (1.00   3.85  32.68) =   0.617%  kept
          QG1   VAL   18 - HN    VAL   70   9.48 +/- 1.05   0.091% *  0.1994% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL   70   8.29 +/- 1.38   0.179% *  0.0814% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    VAL   70  10.18 +/- 1.89   0.052% *  0.2388% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  13.00 +/- 0.76   0.010% *  0.1994% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.89, residual support = 81.5:
          QG2   VAL   70 - HN    VAL   70   3.73 +/- 0.11 100.000% *100.0000% (0.98   3.89  81.50) = 100.000%  kept
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.99, residual support = 59.6:
      O   HB2   ASN   69 - HD22  ASN   69   3.81 +/- 0.27  98.883% * 99.7633% (0.55  10.0   2.99  59.64) = 100.000%  kept
          QE    LYS+  66 - HD22  ASN   69  10.62 +/- 2.24   1.016% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   69  13.64 +/- 2.36   0.097% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  25.10 +/- 1.11   0.001% *  0.1018% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  22.01 +/- 1.09   0.003% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  29.17 +/- 1.14   0.001% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 3.29, residual support = 26.2:
          QG1   VAL   70 - HD22  ASN   69   3.33 +/- 0.94  95.017% * 97.6049% (0.56   3.29  26.26) =  99.970%  kept
          QD1   LEU   71 - HD22  ASN   69   9.00 +/- 1.84   4.084% *  0.5622% (0.53   0.02   0.02) =   0.025%
          QD1   LEU  123 - HD22  ASN   69   9.68 +/- 2.35   0.555% *  0.5622% (0.53   0.02   0.02) =   0.003%
          HB3   LEU   63 - HD22  ASN   69  10.61 +/- 1.66   0.189% *  0.3127% (0.30   0.02   0.02) =   0.001%
          HB3   LEU  104 - HD22  ASN   69  11.55 +/- 1.69   0.099% *  0.3845% (0.36   0.02   0.02) =   0.000%
          QG1   VAL   18 - HD22  ASN   69  13.12 +/- 1.06   0.057% *  0.5735% (0.54   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 1 structures by 0.09 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.97, residual support = 2.97:
          HA    LEU   67 - HN    ASN   69   3.81 +/- 0.77 100.000% *100.0000% (0.92   2.97   2.97) = 100.000%  kept
    Distance limit 4.58 A violated in 0 structures by 0.07 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 31.9:
          HD2   PRO   68 - HN    ASN   69   2.90 +/- 0.38  99.968% * 99.1839% (0.80   5.97  31.85) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  12.28 +/- 1.13   0.029% *  0.3922% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  18.89 +/- 0.98   0.002% *  0.2682% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.75 +/- 0.65   0.001% *  0.1556% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.97, residual support = 31.9:
          HD3   PRO   68 - HN    ASN   69   3.90 +/- 0.41  99.966% * 98.4652% (0.99   5.97  31.85) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  16.20 +/- 1.18   0.024% *  0.2541% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  21.19 +/- 1.22   0.005% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  23.72 +/- 1.49   0.002% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  24.33 +/- 1.13   0.002% *  0.3318% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  26.43 +/- 1.70   0.001% *  0.3070% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 0.56, support = 0.02, residual support = 0.02:
          HA    ALA   64 - HN    ASN   69   7.25 +/- 1.12  77.851% * 14.1837% (0.31   0.02   0.02) =  55.428%  kept
          QE    LYS+  66 - HN    ASN   69   9.43 +/- 1.61  21.327% * 39.8620% (0.87   0.02   0.02) =  42.675%  kept
          HB3   ASN   35 - HN    ASN   69  16.88 +/- 1.02   0.822% * 45.9543% (1.00   0.02   0.02) =   1.897%  kept
    Distance limit 3.82 A violated in 20 structures by 3.12 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.84, residual support = 26.2:
          HB    VAL   70 - HN    ASN   69   4.39 +/- 0.46  97.930% * 89.1827% (0.15   3.84  26.26) =  99.977%  kept
          QG    GLN   17 - HN    ASN   69  10.33 +/- 1.50   1.648% *  0.5953% (0.20   0.02   0.02) =   0.011%
          HB2   LYS+  38 - HN    ASN   69  12.37 +/- 1.48   0.304% *  2.9816% (0.99   0.02   0.02) =   0.010%
          QB    GLU-  36 - HN    ASN   69  14.64 +/- 1.10   0.090% *  0.5268% (0.18   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    ASN   69  22.07 +/- 1.14   0.007% *  2.4088% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  19.84 +/- 1.09   0.013% *  1.2367% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  24.45 +/- 0.88   0.004% *  0.8364% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  31.00 +/- 1.33   0.001% *  1.8246% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  25.12 +/- 1.18   0.003% *  0.4071% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.11 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.934, support = 6.04, residual support = 31.9:
      O   HB3   PRO   68 - HN    ASN   69   3.99 +/- 0.72  35.686% * 95.4467% (0.99  10.0   6.04  31.85) =  93.301%  kept
          HG2   PRO   68 - HN    ASN   69   3.59 +/- 1.30  62.142% *  3.9329% (0.14   1.0   6.04  31.85) =   6.695%  kept
          QB    GLU-  15 - HN    ASN   69   7.84 +/- 0.90   1.757% *  0.0699% (0.73   1.0   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    ASN   69  12.16 +/- 1.50   0.205% *  0.0699% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  14.48 +/- 1.43   0.042% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  15.77 +/- 1.32   0.022% *  0.0835% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  14.25 +/- 1.56   0.025% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  12.79 +/- 0.88   0.083% *  0.0169% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASN   69  14.87 +/- 0.96   0.025% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  19.34 +/- 1.00   0.006% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  24.19 +/- 1.59   0.002% *  0.0771% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  21.71 +/- 1.37   0.003% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.57 +/- 0.88   0.001% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  25.46 +/- 1.19   0.001% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 31.9:
          HG3   PRO   68 - HN    ASN   69   3.86 +/- 0.39  99.603% * 92.7613% (0.38   5.49  31.85) =  99.997%  kept
          HB3   LYS+  38 - HN    ASN   69  11.83 +/- 1.40   0.148% *  0.8512% (0.95   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASN   69  12.56 +/- 1.04   0.099% *  0.5458% (0.61   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ASN   69  14.17 +/- 1.12   0.054% *  0.4380% (0.49   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASN   69  15.73 +/- 1.24   0.032% *  0.7205% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  16.17 +/- 1.15   0.027% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  17.57 +/- 1.52   0.017% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  20.01 +/- 1.44   0.006% *  0.8979% (1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  18.60 +/- 0.85   0.009% *  0.3699% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  25.66 +/- 1.18   0.001% *  0.5821% (0.65   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  25.05 +/- 1.33   0.002% *  0.4034% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  27.39 +/- 0.84   0.001% *  0.6877% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  31.00 +/- 1.28   0.000% *  0.6181% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.07 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 4.46, residual support = 26.3:
          QG1   VAL   70 - HN    ASN   69   3.21 +/- 0.49  98.410% * 97.9103% (0.73   4.46  26.26) =  99.994%  kept
          QD1   LEU   71 - HN    ASN   69   8.34 +/- 1.34   0.882% *  0.2941% (0.49   0.02   0.02) =   0.003%
          HB3   LEU   63 - HN    ASN   69   9.31 +/- 1.38   0.364% *  0.5831% (0.97   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    ASN   69   9.74 +/- 1.68   0.230% *  0.2941% (0.49   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    ASN   69  11.10 +/- 1.15   0.088% *  0.5047% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ASN   69  13.69 +/- 1.25   0.024% *  0.1196% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  19.83 +/- 1.03   0.002% *  0.2941% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.967, support = 3.94, residual support = 18.1:
          HD2   PRO   68 - HN    LEU   67   4.26 +/- 0.71  46.370% * 96.2321% (1.00   3.98  17.95) =  96.779%  kept
          HA    VAL   24 - HE3   TRP   27   4.35 +/- 1.80  51.894% *  2.8469% (0.04   2.74  22.72) =   3.204%  kept
          HA    ALA   61 - HN    LEU   67   7.35 +/- 0.22   1.649% *  0.4677% (0.97   0.02   0.02) =   0.017%
          HD3   PRO   58 - HN    LEU   67  13.57 +/- 0.46   0.038% *  0.1496% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  15.45 +/- 1.36   0.035% *  0.0588% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  18.92 +/- 1.99   0.007% *  0.0608% (0.13   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  21.33 +/- 1.18   0.002% *  0.1653% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  19.57 +/- 1.00   0.005% *  0.0188% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.11, residual support = 17.9:
          HD3   PRO   68 - HN    LEU   67   3.49 +/- 0.82  99.729% * 97.2733% (0.76   4.11  17.95) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  11.24 +/- 0.39   0.167% *  0.2547% (0.41   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   67  16.60 +/- 0.93   0.015% *  0.4255% (0.69   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   67  19.23 +/- 1.32   0.008% *  0.5860% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  20.13 +/- 0.94   0.005% *  0.4960% (0.80   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  21.20 +/- 1.66   0.004% *  0.6072% (0.98   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  16.54 +/- 2.32   0.028% *  0.0737% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  17.07 +/- 1.36   0.018% *  0.0624% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  18.99 +/- 1.31   0.008% *  0.0535% (0.09   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  17.72 +/- 1.48   0.011% *  0.0320% (0.05   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  19.61 +/- 1.76   0.004% *  0.0595% (0.10   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  22.10 +/- 1.93   0.003% *  0.0763% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.637, support = 1.52, residual support = 4.56:
          HA    ALA   64 - HN    LEU   67   3.12 +/- 0.26  97.067% * 25.0155% (0.65   1.25   4.07) =  91.834%  kept
          QE    LYS+  66 - HN    LEU   67   5.99 +/- 0.56   2.906% * 74.3104% (0.53   4.56  10.11) =   8.166%  kept
          HB3   ASN   35 - HE3   TRP   27  14.12 +/- 1.70   0.015% *  0.0651% (0.10   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  20.20 +/- 0.70   0.002% *  0.5176% (0.84   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  14.95 +/- 1.14   0.010% *  0.0504% (0.08   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  20.58 +/- 1.09   0.001% *  0.0410% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 4.85, residual support = 59.0:
      O   HB2   LEU   67 - HN    LEU   67   2.59 +/- 0.29  97.957% * 99.1951% (0.61  10.0   4.85  58.98) =  99.998%  kept
          HG2   PRO   68 - HN    LEU   67   5.81 +/- 0.86   1.628% *  0.1058% (0.65   1.0   0.02  17.95) =   0.002%
          HB    VAL   18 - HN    LEU   67   8.97 +/- 1.29   0.096% *  0.0558% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27   8.18 +/- 1.41   0.203% *  0.0116% (0.07   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  12.08 +/- 0.91   0.015% *  0.0926% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  14.07 +/- 0.59   0.005% *  0.1578% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  14.84 +/- 1.70   0.003% *  0.1547% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27   9.06 +/- 0.74   0.076% *  0.0041% (0.02   1.0   0.02   0.16) =   0.000%
          QB    GLU- 114 - HN    LEU   67  16.33 +/- 1.19   0.002% *  0.0796% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  12.52 +/- 1.12   0.010% *  0.0070% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  16.41 +/- 1.13   0.002% *  0.0125% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.50 +/- 1.20   0.001% *  0.0252% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  20.42 +/- 1.78   0.001% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  20.52 +/- 1.83   0.001% *  0.0133% (0.08   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  19.52 +/- 1.04   0.001% *  0.0100% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  21.66 +/- 1.09   0.000% *  0.0198% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  24.71 +/- 0.81   0.000% *  0.0324% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  20.64 +/- 2.01   0.001% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.943, support = 4.41, residual support = 9.97:
          QB    LYS+  66 - HN    LEU   67   2.88 +/- 0.20  94.597% * 77.2303% (0.95   4.45  10.11) =  98.641%  kept
          QB    LYS+  65 - HN    LEU   67   4.87 +/- 0.19   4.879% * 20.6229% (0.76   1.47   0.02) =   1.358%  kept
          HG    LEU  123 - HN    LEU   67  10.38 +/- 1.70   0.098% *  0.1377% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU   67  10.47 +/- 0.36   0.043% *  0.2665% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   67  10.10 +/- 1.13   0.073% *  0.0817% (0.22   0.02   0.02) =   0.000%
          HB    VAL   41 - HE3   TRP   27   9.71 +/- 1.52   0.146% *  0.0369% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27  10.06 +/- 1.69   0.118% *  0.0335% (0.09   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  13.92 +/- 0.59   0.008% *  0.2939% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  17.66 +/- 1.59   0.002% *  0.3183% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  18.23 +/- 1.01   0.002% *  0.3637% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  17.68 +/- 1.02   0.002% *  0.2374% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  13.16 +/- 1.44   0.015% *  0.0298% (0.08   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  16.09 +/- 1.67   0.004% *  0.0400% (0.11   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  17.16 +/- 1.18   0.002% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  21.44 +/- 1.20   0.001% *  0.1377% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  17.78 +/- 1.02   0.002% *  0.0436% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  17.86 +/- 1.17   0.002% *  0.0353% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  15.70 +/- 1.68   0.005% *  0.0103% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  20.28 +/- 2.10   0.001% *  0.0173% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  24.26 +/- 2.33   0.000% *  0.0173% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.621, support = 5.1, residual support = 56.2:
          HG    LEU   67 - HN    LEU   67   3.72 +/- 0.88  37.800% * 43.5291% (1.00   1.0   5.53  58.98) =  48.460%  kept
      O   HB3   LEU   67 - HN    LEU   67   3.49 +/- 0.36  39.680% * 39.3130% (0.25  10.0   4.65  58.98) =  45.944%  kept
          QG    LYS+  66 - HN    LEU   67   4.37 +/- 0.33  11.729% * 16.1859% (0.41   1.0   4.99  10.11) =   5.592%  kept
          HG    LEU   73 - HE3   TRP   27   6.08 +/- 1.61  10.111% *  0.0120% (0.08   1.0   0.02  18.63) =   0.004%
          HG    LEU   40 - HN    LEU   67   9.94 +/- 1.08   0.068% *  0.1563% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   67   7.65 +/- 0.25   0.364% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67   9.48 +/- 1.17   0.109% *  0.0707% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  11.15 +/- 1.01   0.038% *  0.1083% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  12.34 +/- 0.90   0.023% *  0.0956% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  13.89 +/- 1.72   0.011% *  0.1563% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  13.78 +/- 1.56   0.014% *  0.1083% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  13.69 +/- 1.49   0.016% *  0.0196% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  20.66 +/- 1.61   0.001% *  0.1145% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  14.39 +/- 1.65   0.011% *  0.0089% (0.06   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  17.28 +/- 1.87   0.003% *  0.0198% (0.13   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  18.21 +/- 1.95   0.003% *  0.0144% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  14.15 +/- 1.28   0.012% *  0.0031% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  19.42 +/- 1.67   0.001% *  0.0196% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  20.31 +/- 2.24   0.001% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  17.04 +/- 1.02   0.003% *  0.0049% (0.03   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  20.69 +/- 1.16   0.001% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  19.12 +/- 1.12   0.002% *  0.0081% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.308, support = 4.05, residual support = 58.9:
          QD1   LEU   67 - HN    LEU   67   3.59 +/- 0.57  95.488% * 93.0038% (0.31   4.05  58.98) =  99.952%  kept
          QG2   ILE  119 - HN    LEU   67   7.33 +/- 0.93   1.940% *  1.4357% (0.97   0.02   0.02) =   0.031%
          QD2   LEU   71 - HN    LEU   67   8.84 +/- 0.79   0.700% *  1.4357% (0.97   0.02   0.02) =   0.011%
          QD2   LEU   40 - HN    LEU   67   9.28 +/- 0.90   0.502% *  0.4136% (0.28   0.02   0.02) =   0.002%
          QD2   LEU   71 - HE3   TRP   27   9.60 +/- 1.72   0.638% *  0.1805% (0.12   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   67  13.91 +/- 1.10   0.047% *  0.7827% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  103 - HE3   TRP   27  11.29 +/- 1.28   0.157% *  0.1866% (0.13   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    LEU   67  15.75 +/- 1.10   0.018% *  1.4844% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HE3   TRP   27  10.18 +/- 0.81   0.259% *  0.0984% (0.07   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  14.90 +/- 1.16   0.027% *  0.6116% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27  12.13 +/- 1.29   0.095% *  0.0520% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  13.27 +/- 1.18   0.055% *  0.0769% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  13.55 +/- 1.53   0.064% *  0.0577% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  17.63 +/- 1.56   0.010% *  0.1805% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.05 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.04, residual support = 25.7:
      O   HA    LYS+  65 - HN    LYS+  66   3.50 +/- 0.04  99.262% * 98.9277% (0.61  10.0   6.04  25.68) =  99.999%  kept
          HA2   GLY   16 - HN    LYS+  66   8.80 +/- 1.18   0.534% *  0.1120% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  66  10.99 +/- 1.22   0.130% *  0.1574% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  66  13.57 +/- 1.51   0.039% *  0.1463% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  14.23 +/- 1.00   0.025% *  0.0923% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  17.94 +/- 1.10   0.006% *  0.1543% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  20.71 +/- 1.74   0.003% *  0.1617% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.78 +/- 1.38   0.002% *  0.1362% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  26.73 +/- 1.24   0.001% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 6.2:
          HA    LEU   63 - HN    LYS+  66   3.39 +/- 0.25  99.997% * 98.5985% (0.99   1.61   6.20) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  21.73 +/- 1.01   0.002% *  0.8480% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  21.29 +/- 0.84   0.002% *  0.5535% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.902, support = 4.42, residual support = 14.2:
          HA    ALA   64 - HN    LYS+  66   3.89 +/- 0.22  80.452% * 77.9339% (0.95   4.37   7.79) =  93.924%  kept
          QE    LYS+  66 - HN    LYS+  66   5.02 +/- 0.26  18.602% * 21.7988% (0.22   5.20 114.00) =   6.075%  kept
          HB2   PHE   72 - HN    LYS+  66   8.38 +/- 0.80   0.943% *  0.0839% (0.22   0.02   0.22) =   0.001%
          HB3   ASN   35 - HN    LYS+  66  22.21 +/- 0.60   0.002% *  0.1834% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 0.669, support = 5.03, residual support = 108.3:
      O   QB    LYS+  66 - HN    LYS+  66   2.22 +/- 0.11  86.808% * 68.4417% (0.65  10.0   4.97 114.00) =  93.545%  kept
          QB    LYS+  65 - HN    LYS+  66   3.08 +/- 0.14  13.176% * 31.1184% (0.99   1.0   5.94  25.68) =   6.455%  kept
          HB3   GLN   17 - HN    LYS+  66  10.37 +/- 1.27   0.012% *  0.0557% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.25 +/- 0.44   0.003% *  0.1037% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  17.47 +/- 1.15   0.000% *  0.0949% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  15.56 +/- 0.54   0.001% *  0.0474% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  19.16 +/- 1.45   0.000% *  0.1056% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  19.02 +/- 1.00   0.000% *  0.0327% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 0.307, support = 4.15, residual support = 91.8:
          QG    LYS+  66 - HN    LYS+  66   3.09 +/- 0.41  92.458% * 21.7092% (0.15   4.53 114.00) =  78.590%  kept
          HG    LEU   67 - HN    LYS+  66   5.47 +/- 0.99   7.278% * 75.1128% (0.87   2.79  10.11) =  21.405%  kept
          QB    ALA  120 - HN    LYS+  66  10.93 +/- 0.98   0.069% *  0.6001% (0.97   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    LYS+  66  11.46 +/- 1.03   0.054% *  0.4979% (0.80   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  11.76 +/- 0.93   0.045% *  0.4752% (0.76   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  66  12.74 +/- 1.78   0.032% *  0.6001% (0.97   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  66  13.01 +/- 1.86   0.028% *  0.4752% (0.76   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    LYS+  66  13.52 +/- 0.92   0.015% *  0.1729% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  13.34 +/- 0.84   0.020% *  0.1231% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  22.37 +/- 1.47   0.001% *  0.2334% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.05 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.03, residual support = 7.79:
          QB    ALA   64 - HN    LYS+  66   4.27 +/- 0.18 100.000% *100.0000% (0.95   3.03   7.79) = 100.000%  kept
    Distance limit 4.42 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 = 164.9:
      O   HA    LYS+  65 - HN    LYS+  65   2.81 +/- 0.04  99.802% * 99.3218% (0.64  10.0   6.08 164.86) = 100.000%  kept
          HA2   GLY   16 - HN    LYS+  65   8.52 +/- 1.12   0.170% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    LYS+  65  12.78 +/- 1.08   0.013% *  0.1018% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  15.35 +/- 1.33   0.004% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  17.00 +/- 1.05   0.002% *  0.0696% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  15.01 +/- 0.78   0.005% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  18.78 +/- 1.81   0.001% *  0.0822% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  19.99 +/- 1.60   0.001% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  19.78 +/- 1.04   0.001% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  25.49 +/- 1.10   0.000% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  21.81 +/- 0.66   0.000% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  27.17 +/- 1.36   0.000% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.654, support = 4.74, residual support = 26.8:
      O   HA    ALA   64 - HN    LYS+  65   3.59 +/- 0.03  95.261% * 99.9016% (0.65  10.0   4.74  26.80) =  99.999%  kept
          QE    LYS+  66 - HN    LYS+  65   6.67 +/- 0.62   2.854% *  0.0235% (0.15   1.0   0.02  25.68) =   0.001%
          HB2   PHE   72 - HN    LYS+  65   7.32 +/- 0.96   1.884% *  0.0235% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LYS+  65  22.45 +/- 0.57   0.002% *  0.0514% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 6.72, residual support = 164.0:
      O   QB    LYS+  65 - HN    LYS+  65   2.27 +/- 0.11  97.999% * 76.3401% (0.53  10.0   6.73 164.86) =  99.403%  kept
          QB    LYS+  66 - HN    LYS+  65   4.42 +/- 0.20   1.940% * 23.1598% (0.65   1.0   4.90  25.68) =   0.597%  kept
          HB3   GLN   17 - HN    LYS+  65   8.86 +/- 1.44   0.048% *  0.0222% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  12.19 +/- 0.63   0.005% *  0.0725% (0.50   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  12.05 +/- 1.39   0.006% *  0.0375% (0.26   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  16.41 +/- 1.11   0.001% *  0.0990% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  15.71 +/- 0.61   0.001% *  0.0800% (0.55   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  20.00 +/- 1.35   0.000% *  0.0866% (0.60   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  19.39 +/- 1.01   0.000% *  0.0646% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  19.11 +/- 1.44   0.000% *  0.0375% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 0.136, support = 5.41, residual support = 164.1:
          HG2   LYS+  65 - HN    LYS+  65   2.71 +/- 0.42  98.964% * 63.5300% (0.14   5.44 164.86) =  99.548%  kept
          HG    LEU   67 - HN    LYS+  65   6.87 +/- 1.00   0.917% * 31.0346% (0.36   1.00   0.02) =   0.450%
          HG    LEU  115 - HN    LYS+  65  12.65 +/- 1.62   0.024% *  1.1172% (0.65   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  65  12.30 +/- 0.83   0.017% *  1.1172% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+  65  12.42 +/- 1.19   0.015% *  1.1784% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  65  11.36 +/- 0.82   0.025% *  0.5749% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  65  12.86 +/- 1.77   0.016% *  0.4855% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  12.62 +/- 0.93   0.014% *  0.4855% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  15.15 +/- 0.97   0.004% *  0.2945% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  15.38 +/- 1.69   0.005% *  0.1822% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.201, support = 5.03, residual support = 150.3:
          HG3   LYS+  65 - HN    LYS+  65   3.28 +/- 0.39  91.953% * 43.7001% (0.17   5.32 164.86) =  91.131%  kept
          HB2   LEU   63 - HN    LYS+  65   5.18 +/- 0.31   7.702% * 50.7608% (0.50   2.12   1.20) =   8.866%  kept
          HB3   ASP-  44 - HN    LYS+  65  10.93 +/- 0.74   0.082% *  0.5507% (0.58   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LYS+  65  12.69 +/- 1.26   0.042% *  0.6237% (0.65   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  65   9.99 +/- 0.63   0.142% *  0.1644% (0.17   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LYS+  65  14.62 +/- 0.96   0.015% *  0.6535% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  12.96 +/- 0.77   0.030% *  0.2035% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  16.86 +/- 1.11   0.006% *  0.6535% (0.68   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  17.01 +/- 2.16   0.007% *  0.2711% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  18.00 +/- 1.22   0.004% *  0.3469% (0.36   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  19.88 +/- 0.91   0.002% *  0.6579% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  19.97 +/- 0.75   0.002% *  0.2956% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  18.09 +/- 1.14   0.004% *  0.1305% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  20.45 +/- 1.79   0.002% *  0.2475% (0.26   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  17.81 +/- 0.81   0.004% *  0.1155% (0.12   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  22.49 +/- 1.76   0.001% *  0.3999% (0.42   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  23.40 +/- 1.18   0.001% *  0.2249% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.63, residual support = 26.8:
          QB    ALA   64 - HN    LYS+  65   2.64 +/- 0.20 100.000% *100.0000% (0.65   4.63  26.80) = 100.000%  kept
    Distance limit 3.36 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 = 7.42:
          HA    ALA   61 - HN    ALA   64   3.43 +/- 0.23  98.766% * 95.1123% (0.95   0.75   7.42) =  99.973%  kept
          HD2   PRO   68 - HN    ALA   64   8.21 +/- 1.16   0.998% *  2.1470% (0.80   0.02   0.02) =   0.023%
          HD3   PRO   58 - HN    ALA   64   9.77 +/- 0.58   0.215% *  1.7345% (0.65   0.02   0.02) =   0.004%
          HA    VAL   75 - HN    ALA   64  14.24 +/- 0.64   0.021% *  1.0063% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.22, residual support = 20.8:
      O   HA    ALA   64 - HN    ALA   64   2.82 +/- 0.04  97.409% * 99.9016% (0.95  10.0   4.22  20.76) =  99.999%  kept
          HB2   PHE   72 - HN    ALA   64   6.07 +/- 1.22   2.283% *  0.0235% (0.22   1.0   0.02  38.83) =   0.001%
          QE    LYS+  66 - HN    ALA   64   7.44 +/- 0.48   0.307% *  0.0235% (0.22   1.0   0.02   7.79) =   0.000%
          HB3   ASN   35 - HN    ALA   64  21.16 +/- 0.59   0.001% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.854, support = 4.6, residual support = 24.5:
          QB    LYS+  65 - HN    ALA   64   4.49 +/- 0.16  58.825% * 82.1872% (0.92   4.87  26.80) =  88.079%  kept
          QB    LYS+  66 - HN    ALA   64   4.83 +/- 0.39  39.816% * 16.4242% (0.34   2.63   7.79) =  11.914%  kept
          HB3   GLN   17 - HN    ALA   64   9.66 +/- 1.24   0.853% *  0.3057% (0.84   0.02   2.45) =   0.005%
          HB2   LEU   71 - HN    ALA   64  10.86 +/- 0.68   0.318% *  0.3462% (0.95   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    ALA   64  14.41 +/- 1.14   0.059% *  0.2220% (0.61   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  13.79 +/- 0.62   0.070% *  0.0724% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  18.34 +/- 1.25   0.013% *  0.3057% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  15.39 +/- 1.34   0.039% *  0.0724% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  21.23 +/- 1.46   0.006% *  0.0641% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 0.722, support = 6.76, residual support = 53.3:
          HB2   LEU   63 - HN    ALA   64   3.01 +/- 0.31  95.298% * 80.3954% (0.73   6.78  53.54) =  99.108%  kept
          HG3   LYS+  65 - HN    ALA   64   5.44 +/- 0.57   4.082% * 16.8615% (0.25   4.14  26.80) =   0.890%  kept
          HB3   ASP-  44 - HN    ALA   64   8.70 +/- 0.62   0.192% *  0.2727% (0.84   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   64   8.09 +/- 0.64   0.305% *  0.0814% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   64  12.56 +/- 0.95   0.026% *  0.3236% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  12.86 +/- 1.23   0.020% *  0.3089% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.22 +/- 0.72   0.038% *  0.1008% (0.31   0.02   0.19) =   0.000%
          HG    LEU   98 - HN    ALA   64  14.74 +/- 1.13   0.009% *  0.3236% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  15.68 +/- 1.19   0.007% *  0.1718% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  15.83 +/- 2.19   0.007% *  0.1342% (0.41   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  18.12 +/- 0.95   0.002% *  0.3258% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  18.61 +/- 1.99   0.003% *  0.1226% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  18.24 +/- 0.64   0.002% *  0.1464% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  20.53 +/- 1.89   0.001% *  0.1981% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  16.49 +/- 0.68   0.004% *  0.0572% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  17.14 +/- 1.09   0.003% *  0.0646% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.51 +/- 1.12   0.001% *  0.1114% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.8, residual support = 53.5:
          HG    LEU   63 - HN    ALA   64   4.27 +/- 0.99  85.987% * 98.5938% (0.53   6.80  53.54) =  99.981%  kept
          QD1   ILE  119 - HN    ALA   64   6.37 +/- 1.16  13.691% *  0.1091% (0.20   0.02   0.02) =   0.018%
          HG3   LYS+ 112 - HN    ALA   64  15.46 +/- 2.51   0.087% *  0.5088% (0.92   0.02   0.02) =   0.001%
          QG2   VAL  108 - HN    ALA   64  13.72 +/- 1.10   0.118% *  0.3343% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  104 - HN    ALA   64  14.31 +/- 1.17   0.090% *  0.2471% (0.45   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  17.95 +/- 1.20   0.027% *  0.2069% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.21 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.74, residual support = 53.5:
          HB3   LEU   63 - HN    ALA   64   3.61 +/- 0.46  90.101% * 99.3329% (0.97   6.74  53.54) =  99.984%  kept
          QG1   VAL   18 - HN    ALA   64   6.16 +/- 1.17   5.947% *  0.1608% (0.53   0.02   8.67) =   0.011%
          QG1   VAL   70 - HN    ALA   64   7.13 +/- 0.92   2.919% *  0.1256% (0.41   0.02   0.02) =   0.004%
          QD1   LEU  123 - HN    ALA   64   8.77 +/- 1.12   0.767% *  0.0680% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    ALA   64  10.17 +/- 1.07   0.235% *  0.0680% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ALA   64  15.07 +/- 1.34   0.030% *  0.2447% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.08 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.831, support = 6.11, residual support = 53.5:
          QD2   LEU   63 - HN    ALA   64   4.45 +/- 0.51  49.750% * 60.0942% (1.00   5.76  53.54) =  61.052%  kept
          QD1   LEU   63 - HN    ALA   64   4.45 +/- 0.33  48.415% * 39.3908% (0.57   6.67  53.54) =  38.945%  kept
          QD2   LEU  115 - HN    ALA   64   8.58 +/- 1.27   1.220% *  0.0521% (0.25   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  10.79 +/- 0.59   0.286% *  0.1182% (0.57   0.02   0.19) =   0.001%
          QG2   VAL   41 - HN    ALA   64  11.55 +/- 0.58   0.177% *  0.1266% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ALA   64  12.84 +/- 0.92   0.101% *  0.0858% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  16.69 +/- 1.95   0.025% *  0.0858% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  16.03 +/- 1.41   0.026% *  0.0465% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.04 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.8:
      O   QB    ALA   64 - HN    ALA   64   2.10 +/- 0.08 100.000% *100.0000% (0.95  10.0   4.22  20.76) = 100.000%  kept
    Distance limit 3.01 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 = 42.5:
      O   HA    ASP-  62 - HN    LEU   63   3.62 +/- 0.03  99.928% * 99.8321% (0.97  10.0   5.24  42.46) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.46 +/- 0.92   0.068% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  21.15 +/- 1.13   0.003% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  26.20 +/- 1.32   0.001% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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   3.54 +/- 0.23  99.610% * 92.4872% (0.69   1.50  11.61) =  99.995%  kept
          QB    SER  117 - HN    LEU   63  11.73 +/- 0.84   0.094% *  1.7794% (0.99   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LEU   63  10.48 +/- 1.10   0.194% *  0.6124% (0.34   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LEU   63  12.96 +/- 1.35   0.058% *  1.3720% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU   63  14.19 +/- 0.88   0.028% *  1.2332% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.71 +/- 1.05   0.007% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  17.69 +/- 1.84   0.010% *  1.0164% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 241.5:
      O   HA    LEU   63 - HN    LEU   63   2.80 +/- 0.03  99.999% * 99.8508% (0.76  10.0   7.54 241.52) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  21.25 +/- 0.90   0.001% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  20.13 +/- 1.26   0.001% *  0.0446% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 42.5:
          HB2   ASP-  62 - HN    LEU   63   3.17 +/- 0.57  99.970% * 99.7491% (0.98   5.24  42.46) = 100.000%  kept
          QB    ASP- 113 - HN    LEU   63  14.08 +/- 1.08   0.021% *  0.0768% (0.20   0.02   0.02) =   0.000%
          HB2   PRO   52 - HN    LEU   63  16.37 +/- 0.81   0.009% *  0.1741% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 42.5:
          HB3   ASP-  62 - HN    LEU   63   2.93 +/- 0.52  99.989% * 98.9517% (0.95   5.24  42.46) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  14.84 +/- 0.89   0.009% *  0.3684% (0.92   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  23.02 +/- 2.07   0.001% *  0.2898% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  24.23 +/- 2.16   0.000% *  0.2260% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  24.23 +/- 0.81   0.001% *  0.1641% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.88, residual support = 241.5:
      O   HB2   LEU   63 - HN    LEU   63   2.12 +/- 0.08  99.754% * 98.8228% (0.73  10.0   7.88 241.52) = 100.000%  kept
          HG3   LYS+  65 - HN    LEU   63   6.39 +/- 0.82   0.192% *  0.0339% (0.25   1.0   0.02   1.20) =   0.000%
          HB3   ASP-  44 - HN    LEU   63   9.07 +/- 0.81   0.022% *  0.1137% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  11.42 +/- 0.80   0.005% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   63   9.51 +/- 0.82   0.015% *  0.0339% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.37 +/- 1.08   0.003% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  13.33 +/- 2.18   0.003% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  15.37 +/- 1.10   0.001% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  12.90 +/- 0.83   0.002% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  15.08 +/- 1.12   0.001% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  18.28 +/- 1.00   0.000% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.48 +/- 1.91   0.001% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  19.87 +/- 0.69   0.000% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  21.40 +/- 1.90   0.000% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  17.36 +/- 0.66   0.000% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  19.33 +/- 1.09   0.000% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  21.94 +/- 1.15   0.000% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 7.47, residual support = 241.5:
          HG    LEU   63 - HN    LEU   63   3.05 +/- 0.30  99.442% * 99.4979% (1.00   7.47 241.52) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   8.32 +/- 1.07   0.517% *  0.0467% (0.18   0.02   0.16) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  13.02 +/- 2.44   0.039% *  0.1938% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  19.05 +/- 1.40   0.002% *  0.2616% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.06 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.53, residual support = 241.5:
      O   HB3   LEU   63 - HN    LEU   63   3.40 +/- 0.10  97.008% * 99.7743% (0.97  10.0   7.53 241.52) =  99.999%  kept
          QG1   VAL   18 - HN    LEU   63   7.75 +/- 1.15   1.105% *  0.0544% (0.53   1.0   0.02   0.02) =   0.001%
          QG1   VAL   70 - HN    LEU   63   8.08 +/- 0.83   0.715% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    LEU   63   7.55 +/- 1.02   1.085% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   63  14.07 +/- 1.22   0.022% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  11.91 +/- 1.04   0.066% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.874, support = 6.88, residual support = 241.5:
          QD1   LEU   63 - HN    LEU   63   3.55 +/- 0.28  62.804% * 47.8069% (0.90   6.49 241.52) =  62.933%  kept
          QD2   LEU   63 - HN    LEU   63   3.94 +/- 0.45  34.187% * 51.7193% (0.84   7.54 241.52) =  37.061%  kept
          QD2   LEU  115 - HN    LEU   63   6.63 +/- 1.22   2.874% *  0.0930% (0.57   0.02   0.02) =   0.006%
          QD1   LEU   73 - HN    LEU   63  12.26 +/- 0.68   0.037% *  0.1473% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  12.91 +/- 1.06   0.033% *  0.0507% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  12.70 +/- 0.70   0.031% *  0.0457% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.50 +/- 1.14   0.023% *  0.0253% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  16.96 +/- 1.27   0.006% *  0.0864% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  17.56 +/- 1.94   0.005% *  0.0253% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.84, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.83 +/- 0.46  99.987% * 99.9341% (0.84  10.0   3.84  41.03) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  15.45 +/- 1.02   0.006% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.49 +/- 0.88   0.008% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.11 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   2.33 +/- 0.22  99.999% * 99.7231% (0.82  10.0   3.84  41.03) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.50 +/- 0.74   0.001% *  0.0973% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  24.64 +/- 1.91   0.000% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  24.80 +/- 1.62   0.000% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  25.20 +/- 0.96   0.000% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.37, support = 0.0198, residual support = 0.0198:
          QB    LYS+  66 - HN    ASP-  62   6.36 +/- 0.63  88.851% *  5.0993% (0.32   0.02   0.02) =  83.094%  kept
          HG    LEU  123 - HN    ASP-  62  11.91 +/- 1.15   2.651% * 12.8527% (0.82   0.02   0.02) =   6.250%  kept
          HG3   PRO   68 - HN    ASP-  62  12.40 +/- 1.31   2.434% *  8.7895% (0.56   0.02   0.02) =   3.924%  kept
          HG2   ARG+  54 - HN    ASP-  62  13.06 +/- 0.89   1.420% *  7.6923% (0.49   0.02   0.02) =   2.004%  kept
          HB3   PRO   52 - HN    ASP-  62  15.13 +/- 1.27   0.618% * 12.8527% (0.82   0.02   0.02) =   1.457%  kept
          HB3   ASP- 105 - HN    ASP-  62  14.32 +/- 1.21   0.782% *  7.1484% (0.45   0.02   0.02) =   1.026%  kept
          HG2   PRO   93 - HN    ASP-  62  12.70 +/- 0.88   1.618% *  2.3795% (0.15   0.02   0.02) =   0.706%  kept
          QB    LYS+ 106 - HN    ASP-  62  14.19 +/- 1.06   0.848% *  3.3879% (0.21   0.02   0.02) =   0.527%  kept
          HB    VAL   41 - HN    ASP-  62  16.87 +/- 0.67   0.295% *  7.6923% (0.49   0.02   0.02) =   0.416%
          HG12  ILE  103 - HN    ASP-  62  19.39 +/- 0.71   0.122% *  9.8662% (0.63   0.02   0.02) =   0.221%
          QB    LYS+  33 - HN    ASP-  62  18.55 +/- 0.48   0.170% *  5.5858% (0.35   0.02   0.02) =   0.174%
          HB    ILE  103 - HN    ASP-  62  20.81 +/- 0.75   0.078% *  8.2409% (0.52   0.02   0.02) =   0.117%
          QB    LYS+  81 - HN    ASP-  62  22.08 +/- 1.29   0.069% *  3.7777% (0.24   0.02   0.02) =   0.048%
          HB3   GLN   90 - HN    ASP-  62  22.98 +/- 0.82   0.044% *  4.6346% (0.29   0.02   0.02) =   0.037%
    Distance limit 4.25 A violated in 20 structures by 1.98 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 = 8.32:
          QB    ALA   61 - HN    ASP-  62   2.82 +/- 0.17  98.312% * 94.7960% (0.80   2.79   8.32) =  99.992%  kept
          QG    LYS+  66 - HN    ASP-  62   6.38 +/- 1.34   1.564% *  0.4468% (0.52   0.02   0.02) =   0.007%
          HB3   LEU   67 - HN    ASP-  62  10.33 +/- 0.69   0.045% *  0.5898% (0.69   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  12.00 +/- 2.23   0.027% *  0.7366% (0.86   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  11.97 +/- 1.32   0.026% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.03 +/- 1.16   0.007% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  13.91 +/- 1.06   0.008% *  0.3028% (0.35   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  15.18 +/- 1.22   0.005% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  21.04 +/- 1.63   0.001% *  0.7349% (0.86   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.33 +/- 0.67   0.003% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  20.48 +/- 1.68   0.001% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.09 +/- 1.28   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.868, support = 1.73, residual support = 4.06:
          QB    LYS+  66 - HN    LEU   63   4.70 +/- 0.51  56.189% * 48.7435% (0.95   1.59   6.20) =  57.280%  kept
          QB    LYS+  65 - HN    LEU   63   4.94 +/- 0.34  42.544% * 48.0034% (0.76   1.93   1.20) =  42.712%  kept
          HG    LEU  123 - HN    LEU   63  10.33 +/- 1.23   0.624% *  0.2439% (0.38   0.02   0.02) =   0.003%
          HG2   PRO   93 - HN    LEU   63  13.03 +/- 0.95   0.122% *  0.6441% (0.99   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LEU   63  12.78 +/- 0.79   0.145% *  0.4719% (0.73   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LEU   63  12.11 +/- 1.30   0.254% *  0.1447% (0.22   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  14.97 +/- 0.80   0.052% *  0.5204% (0.80   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   63  16.00 +/- 1.18   0.037% *  0.2439% (0.38   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   63  17.44 +/- 0.88   0.020% *  0.4204% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  18.66 +/- 1.19   0.013% *  0.5637% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 4.99, residual support = 41.9:
      O   HA    PHE   60 - HN    ALA   61   3.63 +/- 0.01  99.801% * 99.3945% (0.69  10.0   4.99  41.90) = 100.000%  kept
          QB    SER  117 - HN    ALA   61  13.72 +/- 0.54   0.035% *  0.1434% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA   61  13.15 +/- 0.52   0.046% *  0.0994% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  14.49 +/- 1.24   0.031% *  0.1209% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  14.45 +/- 1.87   0.043% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  14.07 +/- 0.98   0.032% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  16.49 +/- 1.09   0.012% *  0.1106% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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   2.81 +/- 0.03  98.582% * 99.8077% (0.95  10.0   2.76  17.99) =  99.999%  kept
          HD3   PRO   58 - HN    ALA   61   5.82 +/- 0.40   1.392% *  0.0683% (0.65   1.0   0.02   1.02) =   0.001%
          HD2   PRO   68 - HN    ALA   61  12.64 +/- 1.14   0.015% *  0.0845% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  13.16 +/- 0.94   0.011% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.91, residual support = 41.9:
          HB2   PHE   60 - HN    ALA   61   2.76 +/- 0.51  99.847% * 99.4686% (0.84   4.91  41.90) = 100.000%  kept
          HB    THR   46 - HN    ALA   61   9.38 +/- 0.94   0.152% *  0.0961% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  20.56 +/- 1.81   0.001% *  0.4354% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.99, residual support = 41.9:
          HB3   PHE   60 - HN    ALA   61   3.37 +/- 0.64  99.937% * 99.1905% (0.98   4.99  41.90) = 100.000%  kept
          HB2   PHE   97 - HN    ALA   61  14.30 +/- 1.10   0.032% *  0.1668% (0.41   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   61  15.90 +/- 0.99   0.014% *  0.3520% (0.87   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  16.38 +/- 1.40   0.016% *  0.1523% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  23.63 +/- 1.14   0.001% *  0.1384% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.02, residual support = 18.0:
      O   QB    ALA   61 - HN    ALA   61   2.06 +/- 0.08  99.936% * 99.0576% (0.73  10.0   4.02  17.99) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.44 +/- 1.22   0.028% *  0.1337% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   9.60 +/- 1.44   0.014% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  11.32 +/- 0.92   0.005% *  0.1183% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  11.31 +/- 2.35   0.006% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  11.08 +/- 1.13   0.005% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  12.68 +/- 1.16   0.002% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  13.03 +/- 1.14   0.002% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  14.53 +/- 0.84   0.001% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  18.91 +/- 1.54   0.000% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  24.05 +/- 1.26   0.000% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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   2.49 +/- 0.50  99.587% * 99.4992% (0.76   6.10  40.17) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   7.08 +/- 0.21   0.398% *  0.1136% (0.26   0.02   0.46) =   0.000%
          HA    VAL   75 - HN    PHE   59  15.68 +/- 0.97   0.004% *  0.3213% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  14.81 +/- 1.40   0.011% *  0.0659% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 58.5:
      O   HB2   PHE   59 - HN    PHE   59   2.52 +/- 0.37  99.537% * 99.5977% (0.76  10.0   4.37  58.51) = 100.000%  kept
          QB    PHE   55 - HN    PHE   59   6.87 +/- 0.55   0.377% *  0.0951% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    PHE   59  10.14 +/- 1.18   0.035% *  0.0690% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  11.12 +/- 0.54   0.020% *  0.0872% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  11.13 +/- 1.54   0.027% *  0.0609% (0.47   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  14.06 +/- 1.31   0.005% *  0.0901% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.98, residual support = 58.5:
      O   HB3   PHE   59 - HN    PHE   59   2.33 +/- 0.37  99.967% * 99.9594% (0.67  10.0   4.98  58.51) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   9.48 +/- 0.84   0.032% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  17.24 +/- 1.24   0.001% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.02 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   3.59 +/- 0.48  99.291% * 98.5251% (0.19  10.0   6.58  40.17) =  99.998%  kept
          HB2   GLN  116 - HN    PHE   59   9.41 +/- 1.01   0.657% *  0.3300% (0.64   1.0   0.02   0.65) =   0.002%
          HB3   PHE   97 - HN    PHE   59  14.74 +/- 1.28   0.041% *  0.2714% (0.53   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   59  18.73 +/- 1.39   0.008% *  0.3164% (0.62   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  24.89 +/- 1.36   0.001% *  0.3647% (0.71   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  24.73 +/- 0.79   0.001% *  0.1923% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.03 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   2.95 +/- 0.25  99.671% * 98.7279% (0.76   6.30  40.17) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   8.56 +/- 0.65   0.201% *  0.1315% (0.32   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59   9.89 +/- 1.28   0.097% *  0.0560% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  13.00 +/- 0.84   0.015% *  0.3135% (0.76   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  13.97 +/- 1.25   0.010% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  17.06 +/- 1.37   0.005% *  0.0889% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  23.06 +/- 1.73   0.001% *  0.3191% (0.77   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  31.59 +/- 1.93   0.000% *  0.3198% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 6.25, residual support = 40.0:
      O   HB3   PRO   58 - HN    PHE   59   4.07 +/- 0.32  68.130% * 97.6194% (0.69  10.0   6.30  40.17) =  99.036%  kept
          HB    ILE   56 - HN    PHE   59   5.01 +/- 1.24  31.787% *  2.0356% (0.19   1.0   1.50  20.23) =   0.964%  kept
          HB2   MET   92 - HN    PHE   59  14.14 +/- 0.75   0.044% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  14.65 +/- 0.78   0.031% *  0.0271% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  20.21 +/- 1.02   0.004% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  22.64 +/- 1.45   0.002% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  25.25 +/- 1.17   0.001% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  32.13 +/- 1.75   0.000% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.15 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.2:
          QG1   ILE   56 - HN    PHE   59   3.79 +/- 0.61  99.657% * 97.7319% (0.67   4.26  20.23) =  99.999%  kept
          QD    LYS+ 106 - HN    PHE   59  14.27 +/- 1.14   0.049% *  0.4232% (0.62   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    PHE   59  12.98 +/- 0.68   0.085% *  0.2369% (0.35   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  13.35 +/- 1.54   0.089% *  0.1803% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  15.63 +/- 1.07   0.032% *  0.3205% (0.47   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  14.15 +/- 1.29   0.061% *  0.0815% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  18.85 +/- 1.06   0.010% *  0.4414% (0.64   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  20.34 +/- 1.03   0.006% *  0.4039% (0.59   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  18.26 +/- 1.06   0.011% *  0.1803% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.05 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.354, support = 0.02, residual support = 1.87:
          HA    ALA   61 - HN    ALA   57   8.57 +/- 0.89  97.969% * 14.7090% (0.34   0.02   1.94) =  96.226%  kept
          HD2   PRO   68 - HN    ALA   57  17.73 +/- 1.52   1.349% * 22.6869% (0.53   0.02   0.02) =   2.044%  kept
          HA    VAL   24 - HN    ALA   57  20.97 +/- 1.35   0.562% * 41.6148% (0.97   0.02   0.02) =   1.562%  kept
          HA    LYS+  38 - HN    ALA   57  26.59 +/- 1.19   0.120% * 20.9893% (0.49   0.02   0.02) =   0.168%
    Distance limit 3.48 A violated in 20 structures by 5.06 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.359, support = 0.02, residual support = 0.02:
          HB3   CYS   53 - HN    ALA   57   7.28 +/- 0.89  45.934% * 30.3140% (0.34   0.02   0.02) =  45.498%  kept
          HD2   ARG+  54 - HN    ALA   57   7.87 +/- 1.79  37.897% * 36.5352% (0.41   0.02   0.02) =  45.241%  kept
          HD3   PRO   93 - HN    ALA   57   8.93 +/- 0.61  15.697% * 17.5871% (0.20   0.02   0.02) =   9.020%  kept
          HD3   PRO   68 - HN    ALA   57  17.06 +/- 1.51   0.472% * 15.5637% (0.18   0.02   0.02) =   0.240%
    Distance limit 4.44 A violated in 18 structures by 1.83 A, eliminated.
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.48, support = 4.94, residual support = 30.4:
          HB    ILE   56 - HN    ALA   57   3.91 +/- 0.92  83.598% * 25.6666% (0.25   5.34  33.75) =  64.410%  kept
          HB3   PRO   58 - HN    ALA   57   5.64 +/- 0.47  16.216% * 73.1109% (0.90   4.23  24.28) =  35.589%  kept
          HB2   MET   92 - HN    ALA   57  12.32 +/- 0.83   0.142% *  0.2801% (0.73   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    ALA   57  15.13 +/- 1.32   0.034% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  20.62 +/- 1.31   0.006% *  0.2184% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  23.84 +/- 1.62   0.003% *  0.2029% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  27.45 +/- 1.30   0.001% *  0.1448% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  33.60 +/- 1.98   0.000% *  0.2801% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.08 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   2.46 +/- 0.47  99.900% * 99.4737% (0.92  10.0   4.87  24.30) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  10.15 +/- 1.08   0.045% *  0.1068% (0.99   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  11.45 +/- 1.65   0.044% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  14.40 +/- 1.42   0.005% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  16.16 +/- 1.80   0.003% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  17.85 +/- 1.26   0.002% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  19.71 +/- 1.40   0.001% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  22.15 +/- 1.95   0.000% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  26.20 +/- 1.26   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.05 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 33.7:
          QG2   ILE   56 - HN    ALA   57   3.39 +/- 0.56  99.738% * 97.4851% (0.87   5.34  33.75) =  99.999%  kept
          QB    ALA   91 - HN    ALA   57  11.88 +/- 0.87   0.078% *  0.4064% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   57  10.75 +/- 1.32   0.159% *  0.1888% (0.45   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  18.20 +/- 0.84   0.005% *  0.4064% (0.97   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  17.79 +/- 1.31   0.006% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  18.67 +/- 1.05   0.004% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  18.77 +/- 1.15   0.005% *  0.1437% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  19.83 +/- 1.41   0.003% *  0.1731% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  23.55 +/- 1.70   0.001% *  0.2050% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  28.62 +/- 1.13   0.000% *  0.4128% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.07 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 59.6:
      O   HB2   ASN   69 - HD21  ASN   69   2.87 +/- 0.55  99.809% * 99.6854% (0.36  10.0   3.63  59.64) = 100.000%  kept
          QE    LYS+  66 - HD21  ASN   69  10.88 +/- 2.04   0.186% *  0.1287% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD21  ASN   69  15.67 +/- 1.48   0.005% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  24.59 +/- 1.27   0.000% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  28.77 +/- 1.09   0.000% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.318, support = 4.15, residual support = 26.3:
          QG1   VAL   70 - HD21  ASN   69   3.41 +/- 0.99  94.941% * 97.4967% (0.32   4.15  26.26) =  99.983%  kept
          QD1   LEU   71 - HD21  ASN   69   8.38 +/- 1.80   4.332% *  0.2831% (0.19   0.02   0.02) =   0.013%
          HB3   LEU   63 - HD21  ASN   69  10.73 +/- 1.58   0.191% *  0.8300% (0.56   0.02   0.02) =   0.002%
          QD1   LEU  123 - HD21  ASN   69  10.35 +/- 2.28   0.446% *  0.2831% (0.19   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD21  ASN   69  12.57 +/- 0.96   0.087% *  0.5701% (0.39   0.02   0.02) =   0.001%
          QG1   VAL  108 - HD21  ASN   69  20.05 +/- 1.56   0.004% *  0.5369% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 1 structures by 0.09 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.391, support = 0.0199, residual support = 0.0199:
          HA    LYS+  99 - HD21  ASN   69   9.76 +/- 1.72  17.891% * 19.7883% (0.53   0.02   0.02) =  38.868%  kept
          HA    LEU  123 - HD21  ASN   69  10.73 +/- 2.77  23.061% * 14.3693% (0.39   0.02   0.02) =  36.381%  kept
          HA    LEU   40 - HD21  ASN   69   8.08 +/- 1.48  54.397% *  2.8311% (0.08   0.02   0.02) =  16.908%  kept
          HA    ASN   35 - HD21  ASN   69  13.17 +/- 1.46   3.219% * 17.4728% (0.47   0.02   0.02) =   6.175%  kept
          HA    PHE   59 - HD21  ASN   69  16.16 +/- 1.41   1.125% *  8.6000% (0.23   0.02   0.02) =   1.062%  kept
          HA    ILE   56 - HD21  ASN   69  21.31 +/- 1.55   0.201% * 16.7505% (0.45   0.02   0.02) =   0.370%
          HA    ASP- 113 - HD21  ASN   69  22.88 +/- 1.92   0.107% * 20.1881% (0.54   0.02   0.02) =   0.237%
    Distance limit 4.77 A violated in 18 structures by 2.32 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.27, residual support = 18.6:
          QB    PHE   55 - HN    ILE   56   2.87 +/- 0.28  94.143% * 97.6857% (0.97   4.27  18.59) =  99.973%  kept
          HB3   CYS   53 - HN    ILE   56   5.51 +/- 0.43   2.405% *  0.4572% (0.97   0.02   0.02) =   0.012%
          HB2   PHE   59 - HN    ILE   56   6.24 +/- 0.97   1.646% *  0.3621% (0.76   0.02  20.23) =   0.006%
          HD2   ARG+  54 - HN    ILE   56   6.85 +/- 0.82   0.994% *  0.4374% (0.92   0.02   0.02) =   0.005%
          HD3   PRO   93 - HN    ILE   56   6.67 +/- 0.70   0.801% *  0.4727% (1.00   0.02   0.02) =   0.004%
          HD3   PRO   68 - HN    ILE   56  19.33 +/- 1.15   0.001% *  0.4696% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  15.78 +/- 1.66   0.004% *  0.0205% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  16.73 +/- 1.85   0.003% *  0.0198% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.29 +/- 1.89   0.001% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  19.84 +/- 2.97   0.001% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  23.03 +/- 2.27   0.001% *  0.0190% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  24.60 +/- 4.11   0.000% *  0.0204% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 6.02, residual support = 123.4:
      O   HB    ILE   56 - HN    ILE   56   3.00 +/- 0.62  94.648% * 99.2786% (0.87  10.0   6.02 123.40) =  99.999%  kept
          HG2   ARG+  54 - HN    ILE   56   5.88 +/- 0.59   4.306% *  0.0200% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ILE   56   8.07 +/- 0.93   0.424% *  0.0916% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ILE   56  10.28 +/- 1.07   0.090% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  13.75 +/- 0.90   0.014% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  11.70 +/- 4.28   0.226% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  15.82 +/- 1.21   0.010% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  17.99 +/- 1.70   0.007% *  0.0471% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  12.97 +/- 4.58   0.045% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  13.91 +/- 2.91   0.035% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  10.90 +/- 0.81   0.079% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  21.72 +/- 1.08   0.001% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  16.92 +/- 1.11   0.005% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  13.99 +/- 5.14   0.066% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  13.89 +/- 0.57   0.016% *  0.0017% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  23.30 +/- 1.01   0.001% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  28.97 +/- 1.03   0.000% *  0.1105% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  21.24 +/- 1.59   0.001% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.08 +/- 0.63   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  16.08 +/- 3.92   0.009% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  19.02 +/- 2.53   0.003% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  17.65 +/- 4.69   0.009% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  22.69 +/- 4.87   0.001% *  0.0048% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  24.19 +/- 1.99   0.001% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  21.08 +/- 2.22   0.003% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  35.81 +/- 1.91   0.000% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  25.81 +/- 4.22   0.000% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  34.24 +/- 5.84   0.000% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.19 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 123.4:
          QG1   ILE   56 - HN    ILE   56   3.75 +/- 0.79  96.036% * 98.0277% (0.87   5.17 123.40) =  99.997%  kept
          HB3   MET   92 - HN    ILE   56   9.12 +/- 0.85   0.926% *  0.1958% (0.45   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    ILE   56  11.80 +/- 1.77   0.259% *  0.1490% (0.34   0.02   2.19) =   0.000%
          QD    LYS+ 106 - HN    ILE   56  14.66 +/- 1.02   0.045% *  0.3498% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  12.58 +/- 4.77   0.741% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   8.29 +/- 1.14   1.534% *  0.0065% (0.01   0.02  19.79) =   0.000%
          HB    ILE   89 - HN    ILE   56  15.01 +/- 0.96   0.037% *  0.1490% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ILE   56  17.09 +/- 1.12   0.017% *  0.2649% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  12.33 +/- 3.61   0.270% *  0.0115% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  22.15 +/- 0.87   0.003% *  0.3648% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  23.60 +/- 0.87   0.002% *  0.3338% (0.76   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  18.89 +/- 1.29   0.009% *  0.0674% (0.15   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  14.63 +/- 2.50   0.055% *  0.0085% (0.02   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  16.19 +/- 2.11   0.027% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  18.87 +/- 5.09   0.018% *  0.0145% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  18.93 +/- 4.38   0.015% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  23.25 +/- 3.78   0.003% *  0.0065% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  26.82 +/- 3.85   0.001% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.19 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.262, support = 0.75, residual support = 3.73:
          QB    ALA  110 - HN    ILE   56   5.90 +/- 3.42  67.760% * 28.0906% (0.20   0.85   4.57) =  81.663%  kept
          HG    LEU  115 - HN    ILE   56   8.00 +/- 1.33  11.245% * 25.2022% (0.38   0.40   0.02) =  12.159%  kept
          HB3   LEU  115 - HN    ILE   56   7.85 +/- 0.99   5.582% * 24.8150% (0.92   0.16   0.02) =   5.943%  kept
          QB    ALA   61 - HN    ILE   56   8.31 +/- 0.72   3.372% *  1.2579% (0.38   0.02   0.02) =   0.182%
          HG    LEU   80 - HZ2   TRP   87   7.71 +/- 1.74  10.710% *  0.0324% (0.01   0.02   1.12) =   0.015%
          QG    LYS+  66 - HN    ILE   56  14.20 +/- 1.39   0.133% *  2.4337% (0.73   0.02   0.02) =   0.014%
          QB    ALA  120 - HN    ILE   56  14.44 +/- 1.24   0.148% *  1.2579% (0.38   0.02   0.02) =   0.008%
          HG    LEU   73 - HN    ILE   56  17.76 +/- 0.83   0.032% *  3.0058% (0.90   0.02   0.02) =   0.004%
          HG    LEU   67 - HN    ILE   56  18.11 +/- 1.72   0.028% *  2.7995% (0.84   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ILE   56  19.71 +/- 0.94   0.017% *  3.0939% (0.92   0.02   0.02) =   0.002%
          HG    LEU   73 - HZ2   TRP   87  12.79 +/- 3.69   0.388% *  0.1304% (0.04   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE   56  18.64 +/- 1.16   0.022% *  1.7633% (0.53   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ILE   56  19.27 +/- 1.40   0.018% *  0.7462% (0.22   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ILE   56  19.64 +/- 1.48   0.019% *  0.5171% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   56  26.98 +/- 1.46   0.003% *  3.2345% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HZ2   TRP   87  18.09 +/- 5.01   0.058% *  0.1404% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE   56  20.90 +/- 0.86   0.012% *  0.6633% (0.20   0.02   0.02) =   0.000%
          HG    LEU   40 - HZ2   TRP   87  17.16 +/- 4.88   0.059% *  0.1343% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  15.75 +/- 2.77   0.202% *  0.0288% (0.01   0.02   0.02) =   0.000%
          HB3   LEU  115 - HZ2   TRP   87  19.94 +/- 3.63   0.032% *  0.1343% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  18.01 +/- 1.94   0.029% *  0.0546% (0.02   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  21.13 +/- 3.44   0.023% *  0.0546% (0.02   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  22.29 +/- 4.43   0.010% *  0.1215% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  18.62 +/- 4.69   0.033% *  0.0288% (0.01   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  17.60 +/- 3.59   0.039% *  0.0224% (0.01   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  22.88 +/- 3.54   0.007% *  0.1056% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  22.23 +/- 4.51   0.009% *  0.0765% (0.02   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  21.74 +/- 3.52   0.012% *  0.0546% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 5 structures by 0.58 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 123.4:
          QG2   ILE   56 - HN    ILE   56   2.62 +/- 0.38  99.862% * 98.4512% (1.00   6.64 123.40) = 100.000%  kept
          QB    ALA   91 - HN    ILE   56  10.34 +/- 0.92   0.041% *  0.2154% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  11.67 +/- 1.10   0.020% *  0.0587% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  11.76 +/- 1.92   0.025% *  0.0083% (0.03   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  19.74 +/- 0.86   0.001% *  0.2806% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  19.09 +/- 1.22   0.001% *  0.1919% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  13.10 +/- 3.97   0.015% *  0.0122% (0.04   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  19.73 +/- 0.87   0.001% *  0.2154% (0.73   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  11.69 +/- 1.03   0.015% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  19.66 +/- 1.18   0.001% *  0.1113% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  14.94 +/- 2.56   0.005% *  0.0129% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  21.50 +/- 1.35   0.000% *  0.0520% (0.18   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  17.06 +/- 3.88   0.002% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  13.93 +/- 2.94   0.007% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  30.05 +/- 1.12   0.000% *  0.2806% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  24.76 +/- 1.35   0.000% *  0.0660% (0.22   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  18.39 +/- 3.54   0.001% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  22.63 +/- 4.83   0.000% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  17.31 +/- 4.09   0.002% *  0.0023% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  19.96 +/- 4.67   0.001% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.911, support = 5.5, residual support = 70.5:
          HB3   CYS   53 - HN    ARG+  54   3.87 +/- 0.24  43.481% * 35.6205% (0.94   5.36  31.60) =  52.279%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.55 +/- 0.67  20.613% * 45.4668% (0.95   6.78 168.93) =  31.634%  kept
          QB    PHE   55 - HN    ARG+  54   4.27 +/- 0.20  25.765% * 18.4783% (0.76   3.44   3.62) =  16.070%  kept
          HD3   PRO   93 - HN    ARG+  54   6.34 +/- 0.85   3.381% *  0.1202% (0.85   0.02   0.02) =   0.014%
          HB2   PHE   59 - HN    ASP-  62   5.42 +/- 0.23   6.229% *  0.0132% (0.09   0.02   6.53) =   0.003%
          HB2   PHE   59 - HN    ARG+  54  10.12 +/- 1.09   0.184% *  0.0705% (0.50   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62  10.41 +/- 1.12   0.145% *  0.0218% (0.15   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASP-  62  10.45 +/- 0.93   0.121% *  0.0201% (0.14   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  13.10 +/- 1.05   0.036% *  0.0249% (0.18   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  14.03 +/- 1.55   0.028% *  0.0251% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  14.51 +/- 0.61   0.017% *  0.0225% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  22.73 +/- 1.22   0.001% *  0.1163% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 6.5, residual support = 168.9:
      O   HB2   ARG+  54 - HN    ARG+  54   3.07 +/- 0.55  99.445% * 96.9633% (0.26  10.0   6.50 168.93) = 100.000%  kept
          HB    ILE  119 - HN    ASP-  62   9.25 +/- 0.93   0.230% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  13.71 +/- 1.74   0.026% *  0.2793% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  11.59 +/- 1.18   0.066% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  12.52 +/- 1.13   0.032% *  0.0647% (0.18   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  13.50 +/- 1.23   0.024% *  0.0776% (0.21   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  14.82 +/- 1.63   0.014% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  16.82 +/- 1.42   0.006% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  14.38 +/- 0.73   0.014% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  13.08 +/- 0.92   0.028% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  20.05 +/- 1.74   0.002% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.76 +/- 1.31   0.009% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.27 +/- 1.66   0.041% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.45 +/- 1.04   0.023% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  13.58 +/- 1.03   0.021% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  23.48 +/- 1.69   0.001% *  0.3025% (0.82   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  18.57 +/- 1.50   0.003% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  24.85 +/- 0.95   0.000% *  0.3457% (0.94   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  23.57 +/- 0.92   0.001% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  22.74 +/- 1.15   0.001% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.35 +/- 1.42   0.007% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  17.81 +/- 0.98   0.004% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  19.62 +/- 1.14   0.002% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  26.04 +/- 1.42   0.000% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  23.07 +/- 0.97   0.001% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  30.75 +/- 1.16   0.000% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  24.47 +/- 1.57   0.001% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  25.27 +/- 1.12   0.000% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.12 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.93, support = 6.42, residual support = 167.0:
          HG2   ARG+  54 - HN    ARG+  54   3.36 +/- 0.32  90.294% * 84.2610% (0.94   6.46 168.93) =  98.843%  kept
          HB3   PRO   52 - HN    ARG+  54   5.30 +/- 0.30   6.742% * 13.1594% (0.29   3.24   1.75) =   1.153%  kept
          HB    ILE   56 - HN    ARG+  54   6.68 +/- 1.04   2.241% *  0.1281% (0.46   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    ASP-  62   8.90 +/- 1.09   0.450% *  0.0240% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ARG+  54  13.60 +/- 1.53   0.033% *  0.2539% (0.91   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  15.97 +/- 2.02   0.017% *  0.2429% (0.87   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  12.40 +/- 1.31   0.050% *  0.0475% (0.17   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  15.86 +/- 0.92   0.009% *  0.2360% (0.85   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  13.06 +/- 0.89   0.032% *  0.0488% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  14.32 +/- 1.21   0.019% *  0.0491% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  11.91 +/- 1.15   0.059% *  0.0152% (0.05   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  14.19 +/- 1.06   0.019% *  0.0442% (0.16   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  20.20 +/- 1.20   0.002% *  0.2625% (0.94   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  15.13 +/- 1.27   0.013% *  0.0152% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.36 +/- 0.68   0.001% *  0.2579% (0.93   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  18.55 +/- 0.48   0.004% *  0.0488% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  24.65 +/- 1.57   0.001% *  0.2539% (0.91   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  24.67 +/- 1.04   0.001% *  0.2608% (0.94   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  21.76 +/- 1.51   0.002% *  0.0812% (0.29   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.81 +/- 0.75   0.002% *  0.0483% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  22.08 +/- 1.29   0.001% *  0.0454% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  22.72 +/- 1.11   0.001% *  0.0521% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  22.98 +/- 0.82   0.001% *  0.0475% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  18.30 +/- 0.95   0.004% *  0.0097% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  22.59 +/- 0.78   0.001% *  0.0168% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  31.67 +/- 1.02   0.000% *  0.0898% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.167, support = 2.77, residual support = 8.28:
          QB    ALA   61 - HN    ASP-  62   2.82 +/- 0.17  96.860% * 58.9878% (0.16   2.79   8.32) =  99.478%  kept
          QB    ALA  110 - HN    ARG+  54   7.38 +/- 3.44   1.422% * 20.6560% (0.95   0.17   0.02) =   0.511%  kept
          QG    LYS+  66 - HN    ASP-  62   6.38 +/- 1.34   1.538% *  0.2780% (0.11   0.02   0.02) =   0.007%
          QB    ALA   61 - HN    ARG+  54  10.34 +/- 0.80   0.043% *  2.2612% (0.87   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ASP-  62  10.33 +/- 0.69   0.044% *  0.3670% (0.14   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  12.00 +/- 2.23   0.026% *  0.4583% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  14.19 +/- 1.09   0.007% *  1.1923% (0.46   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  11.97 +/- 1.32   0.025% *  0.2231% (0.09   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  18.33 +/- 1.45   0.001% *  2.4441% (0.94   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  17.11 +/- 1.26   0.002% *  1.6826% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.03 +/- 1.16   0.007% *  0.4543% (0.18   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  17.46 +/- 1.42   0.002% *  1.4857% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  13.91 +/- 1.06   0.008% *  0.1884% (0.07   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  21.08 +/- 1.44   0.001% *  2.4279% (0.94   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  15.18 +/- 1.22   0.005% *  0.2411% (0.09   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  19.22 +/- 0.85   0.001% *  1.0070% (0.39   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  21.73 +/- 1.19   0.000% *  1.9614% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  21.50 +/- 2.10   0.001% *  1.2888% (0.50   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  21.13 +/- 0.75   0.001% *  0.6108% (0.24   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  21.04 +/- 1.63   0.001% *  0.4573% (0.18   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.33 +/- 0.67   0.003% *  0.1143% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  20.48 +/- 1.68   0.001% *  0.3148% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  29.44 +/- 1.52   0.000% *  0.7560% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.09 +/- 1.28   0.000% *  0.1415% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.43, support = 3.37, residual support = 11.9:
      O   HA2   GLY   51 - HN    GLY   51   2.80 +/- 0.10  22.414% * 83.6610% (0.49  10.0   2.21   9.91) =  61.363%  kept
          HD2   PRO   52 - HN    GLY   51   2.23 +/- 0.22  77.478% * 15.2391% (0.34   1.0   5.20  15.12) =  38.637%  kept
          QB    SER   48 - HN    GLY   51   7.62 +/- 1.17   0.104% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLY   51  13.13 +/- 1.29   0.002% *  0.1112% (0.65   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  16.30 +/- 1.68   0.001% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  15.87 +/- 1.96   0.001% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  22.97 +/- 1.56   0.000% *  0.1587% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  18.89 +/- 1.49   0.000% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  25.02 +/- 1.47   0.000% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  27.03 +/- 1.67   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  26.48 +/- 1.80   0.000% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  30.75 +/- 1.71   0.000% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.43, residual support = 6.99:
      O   QB    CYS   50 - HN    CYS   50   2.85 +/- 0.38  99.627% * 99.5887% (0.69  10.0   1.43   6.99) =  99.999%  kept
          HB3   ASP-  78 - HN    CYS   50   9.29 +/- 2.47   0.312% *  0.1697% (0.84   1.0   0.02   0.02) =   0.001%
          QE    LYS+  74 - HN    CYS   50  10.52 +/- 1.20   0.060% *  0.1475% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  24.13 +/- 1.36   0.000% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  29.86 +/- 1.04   0.000% *  0.0627% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 1.86, residual support = 6.82:
          QB    ALA   47 - HN    CYS   50   3.17 +/- 1.01  99.929% * 97.5064% (0.57   1.86   6.82) =  99.999%  kept
          QB    ALA   64 - HN    CYS   50  15.54 +/- 0.87   0.019% *  1.3417% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  15.41 +/- 0.97   0.019% *  0.8284% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    CYS   50  16.16 +/- 1.98   0.032% *  0.3236% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.08 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.317, support = 3.55, residual support = 14.9:
      O   HA    SER   48 - HN    TRP   49   3.52 +/- 0.05  34.970% * 70.2462% (0.22  10.0   3.28  14.92) =  58.348%  kept
          QB    SER   48 - HN    TRP   49   3.17 +/- 0.38  62.896% * 27.8744% (0.45   1.0   3.94  14.92) =  41.643%  kept
          HD2   PRO   52 - HN    TRP   49   6.48 +/- 0.95   1.449% *  0.2041% (0.65   1.0   0.02   1.33) =   0.007%
          HA2   GLY   51 - HN    TRP   49   7.11 +/- 0.78   0.644% *  0.0702% (0.22   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    TRP   49  13.48 +/- 1.30   0.013% *  0.3045% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    TRP   49  12.76 +/- 0.65   0.016% *  0.1076% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  13.92 +/- 1.56   0.011% *  0.1297% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  23.12 +/- 0.80   0.000% *  0.3127% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  26.15 +/- 0.90   0.000% *  0.3045% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  27.12 +/- 1.36   0.000% *  0.2167% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  28.21 +/- 0.87   0.000% *  0.1415% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  28.23 +/- 1.72   0.000% *  0.0877% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 86.7:
      O   HB3   TRP   49 - HN    TRP   49   3.55 +/- 0.26  99.988% * 99.8958% (0.80  10.0   4.00  86.70) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.49 +/- 1.26   0.012% *  0.1042% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.418, support = 2.54, residual support = 9.44:
      O   QB    SER   48 - HN    SER   48   2.26 +/- 0.13  75.889% * 66.2308% (0.45  10.0   2.52   9.44) =  86.429%  kept
      O   HA    SER   48 - HN    SER   48   2.74 +/- 0.04  23.995% * 32.8893% (0.22  10.0   2.61   9.44) =  13.571%  kept
          HD2   PRO   52 - HN    SER   48   8.14 +/- 1.22   0.065% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   9.05 +/- 1.17   0.040% *  0.0329% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  12.69 +/- 1.07   0.003% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  13.47 +/- 1.84   0.004% *  0.0607% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  11.95 +/- 0.74   0.004% *  0.0504% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  22.06 +/- 1.38   0.000% *  0.1464% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  24.65 +/- 1.30   0.000% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  26.75 +/- 1.63   0.000% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  26.09 +/- 0.86   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  27.68 +/- 1.85   0.000% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.15:
          QB    ALA   47 - HN    SER   48   2.94 +/- 0.24  99.983% * 99.1202% (0.90   4.08   6.15) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.66 +/- 0.77   0.008% *  0.4337% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  15.20 +/- 0.84   0.007% *  0.2033% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  19.14 +/- 2.04   0.002% *  0.2428% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.826, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47   9.89 +/- 0.75  86.441% * 52.2208% (0.84   0.02   0.02) =  87.450%  kept
          HB2   TRP   87 - HN    ALA   47  14.12 +/- 1.38  13.559% * 47.7792% (0.76   0.02   0.02) =  12.550%  kept
    Distance limit 4.13 A violated in 20 structures by 5.48 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.42, residual support = 6.74:
          QB    CYS   50 - HN    ALA   47   3.31 +/- 0.58  96.494% * 64.3949% (0.97   1.43   6.82) =  98.810%  kept
          QE    LYS+  74 - HN    ALA   47   7.23 +/- 1.09   2.162% * 34.3381% (0.98   0.75   0.02) =   1.180%  kept
          HB3   ASP-  78 - HN    ALA   47   8.35 +/- 1.55   1.325% *  0.4547% (0.49   0.02   0.75) =   0.010%
          HB2   PHE   72 - HN    ALA   47  15.43 +/- 1.23   0.019% *  0.2080% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  26.14 +/- 0.72   0.001% *  0.6043% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.03 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   3.69 +/- 0.32  99.693% * 97.5708% (0.97   3.21  12.67) =  99.998%  kept
          QG2   VAL   18 - HN    ALA   47  11.29 +/- 1.01   0.142% *  0.5656% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    ALA   47  11.75 +/- 1.07   0.132% *  0.4332% (0.69   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ALA   47  15.56 +/- 0.84   0.019% *  0.5966% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  17.71 +/- 0.27   0.009% *  0.3070% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  20.38 +/- 0.76   0.004% *  0.5268% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.02 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   2.48 +/- 0.13  99.984% * 99.7622% (0.57  10.0   2.36  11.04) = 100.000%  kept
          QB    ALA   64 - HN    ALA   47  12.83 +/- 0.69   0.006% *  0.1280% (0.73   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    ALA   47  12.05 +/- 0.65   0.008% *  0.0790% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  15.44 +/- 1.78   0.002% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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   3.54 +/- 0.33  99.697% * 99.3656% (0.25  10.0   3.25  34.51) = 100.000%  kept
          HB2   HIS   22 - HN    THR   46  10.87 +/- 1.90   0.283% *  0.1359% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HN    THR   46  15.96 +/- 1.01   0.015% *  0.3045% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  19.47 +/- 1.56   0.005% *  0.1940% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.6, residual support = 12.0:
          QG2   THR   77 - HN    THR   46   2.79 +/- 0.30  98.197% * 95.6480% (0.61   3.60  12.02) =  99.996%  kept
          HB3   ASP-  44 - HN    THR   46   5.81 +/- 0.58   1.599% *  0.1952% (0.22   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    THR   46   9.20 +/- 1.52   0.158% *  0.3605% (0.41   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    THR   46  11.79 +/- 1.17   0.029% *  0.8295% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   46  13.30 +/- 1.05   0.011% *  0.2706% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  16.40 +/- 1.07   0.003% *  0.4964% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  17.38 +/- 1.43   0.002% *  0.5672% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  22.35 +/- 0.74   0.000% *  0.7864% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  25.57 +/- 0.42   0.000% *  0.8462% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.945, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.46 +/- 1.56  71.753% * 32.0586% (0.99   0.02   0.02) =  77.374%  kept
          QD1   ILE  119 - HN    THR   46  13.00 +/- 1.00  21.431% * 25.8997% (0.80   0.02   0.02) =  18.670%  kept
          HB2   LEU  104 - HN    THR   46  18.85 +/- 0.71   2.245% * 32.0586% (0.99   0.02   0.02) =   2.421%  kept
          HG3   LYS+ 112 - HN    THR   46  17.12 +/- 1.76   4.571% *  9.9831% (0.31   0.02   0.02) =   1.535%  kept
    Distance limit 4.56 A violated in 20 structures by 5.25 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   2.58 +/- 0.33  99.595% * 97.4004% (0.97   3.39  34.51) =  99.998%  kept
          QG1   VAL   43 - HN    THR   46   8.33 +/- 1.14   0.240% *  0.5639% (0.95   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    THR   46   9.55 +/- 1.02   0.059% *  0.5948% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46   9.64 +/- 1.38   0.085% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  12.65 +/- 0.68   0.011% *  0.4095% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  14.37 +/- 0.31   0.004% *  0.4773% (0.80   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  14.31 +/- 1.23   0.005% *  0.1486% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  17.82 +/- 0.80   0.001% *  0.3136% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.66, residual support = 1.97:
          QG1   VAL   75 - HN    THR   46   3.56 +/- 0.79  99.708% * 99.0129% (0.92   1.66   1.97) =  99.997%  kept
          QD1   LEU  115 - HN    THR   46  11.89 +/- 1.88   0.292% *  0.9871% (0.76   0.02   0.02) =   0.003%
    Distance limit 4.41 A violated in 0 structures by 0.09 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.2:
          HB    THR   94 - HN    PHE   45   3.81 +/- 0.26  99.415% * 94.1909% (0.65   3.30  27.21) =  99.997%  kept
          QB    SER   48 - HN    PHE   45  11.48 +/- 0.53   0.156% *  0.6747% (0.76   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    PHE   45  11.41 +/- 1.17   0.164% *  0.3012% (0.34   0.02   0.02) =   0.001%
          QB    SER   85 - HN    PHE   45  13.82 +/- 1.33   0.048% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   45  13.78 +/- 1.21   0.059% *  0.4297% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    PHE   45  16.29 +/- 0.91   0.018% *  0.8150% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  14.00 +/- 0.83   0.044% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    PHE   45  13.57 +/- 1.50   0.061% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    PHE   45  18.04 +/- 1.11   0.010% *  0.8352% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  19.05 +/- 0.80   0.007% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  17.97 +/- 1.31   0.011% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  18.67 +/- 0.99   0.008% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 80.8:
      O   HB2   PHE   45 - HN    PHE   45   2.49 +/- 0.37  99.963% * 99.8561% (0.99  10.0   3.68  80.77) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45  10.32 +/- 1.04   0.033% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  14.34 +/- 0.75   0.005% *  0.0988% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.0, residual support = 80.8:
      O   HB3   PHE   45 - HN    PHE   45   3.44 +/- 0.37  99.231% * 99.6079% (0.87  10.0   4.00  80.77) = 100.000%  kept
          HB    VAL  107 - HN    PHE   45   8.43 +/- 0.87   0.627% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    PHE   45  13.12 +/- 2.13   0.058% *  0.0996% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  13.40 +/- 2.02   0.040% *  0.0919% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  13.20 +/- 1.00   0.039% *  0.0431% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  18.89 +/- 0.56   0.004% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.475, support = 4.0, residual support = 18.7:
          HB3   ASP-  44 - HN    PHE   45   3.56 +/- 0.32  81.799% * 64.5592% (0.49   4.10  19.37) =  93.988%  kept
          QG2   THR   77 - HN    PHE   45   5.19 +/- 0.53  11.975% * 25.7980% (0.31   2.58   9.36) =   5.498%  kept
          HB3   PRO   93 - HN    PHE   45   5.81 +/- 0.55   5.279% *  5.4143% (0.15   1.09   0.02) =   0.509%  kept
          HB3   LEU   80 - HN    PHE   45  11.24 +/- 2.07   0.159% *  0.4696% (0.73   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    PHE   45  10.47 +/- 1.09   0.180% *  0.3922% (0.61   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    PHE   45   9.02 +/- 1.08   0.404% *  0.1133% (0.18   0.02   1.03) =   0.001%
          QB    ALA   88 - HN    PHE   45  11.94 +/- 1.51   0.068% *  0.4442% (0.69   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    PHE   45  11.71 +/- 1.69   0.087% *  0.1613% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   45  14.73 +/- 1.39   0.021% *  0.5970% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   45  14.81 +/- 0.95   0.018% *  0.5610% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   45  18.66 +/- 0.76   0.004% *  0.6453% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  22.78 +/- 0.35   0.001% *  0.6241% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  19.61 +/- 1.41   0.003% *  0.2206% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.881, support = 0.02, residual support = 4.63:
          QD1   ILE   89 - HN    PHE   45   7.50 +/- 1.76  50.897% * 30.6068% (0.80   0.02   5.27) =  46.695%  kept
          QG2   VAL   83 - HN    PHE   45   8.42 +/- 2.23  38.015% * 37.4664% (0.98   0.02   5.08) =  42.693%  kept
          QD2   LEU   31 - HN    PHE   45   9.88 +/- 0.72  11.088% * 31.9268% (0.84   0.02   0.02) =  10.612%  kept
    Distance limit 4.27 A violated in 17 structures by 2.13 A, eliminated.
    Peak unassigned.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 12.5:
          HB3   PHE   45 - HN    THR   46   3.33 +/- 0.35  99.877% * 98.4423% (1.00   4.10  12.48) = 100.000%  kept
          HB    VAL  107 - HN    THR   46  12.50 +/- 0.98   0.049% *  0.3852% (0.80   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  14.78 +/- 2.03   0.020% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  13.26 +/- 1.16   0.033% *  0.2157% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  18.96 +/- 0.67   0.004% *  0.2918% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  15.25 +/- 1.12   0.015% *  0.0651% (0.14   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  19.40 +/- 1.02   0.003% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 8.2:
          HN    CYS   50 - HN    CYS   53   4.99 +/- 0.16  99.944% * 77.1198% (0.87  1.00   0.75   8.20) =  99.983%  kept
        T HN    VAL   83 - HN    CYS   53  17.74 +/- 1.38   0.056% * 22.8802% (0.97 10.00   0.02   0.02) =   0.017%
    Distance limit 4.68 A violated in 0 structures by 0.32 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  99.813% * 99.8358% (0.61  10.0   7.18  54.15) = 100.000%  kept
          HA    LYS+ 111 - HN    CYS   53  10.93 +/- 1.82   0.187% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.50 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  99.995% * 99.7036% (0.90  10.0   4.78  44.11) = 100.000%  kept
          HA    GLU- 114 - HN    CYS   53  15.89 +/- 1.58   0.004% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  19.82 +/- 1.14   0.001% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  24.49 +/- 1.12   0.000% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  24.85 +/- 1.38   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  27.95 +/- 2.54   0.000% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.84 +/- 1.00   0.000% *  0.0172% (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 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.342, support = 8.15, residual support = 53.6:
          HD2   PRO   52 - HN    CYS   53   2.27 +/- 0.02  98.409% * 60.8416% (0.34   8.20  54.15) =  99.071%  kept
          HA2   GLY   51 - HN    CYS   53   4.56 +/- 0.20   1.542% * 36.3739% (0.49   3.43   0.02) =   0.928%  kept
          QB    SER   48 - HN    CYS   53   8.91 +/- 0.84   0.033% *  0.3326% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53  10.57 +/- 1.31   0.012% *  0.2815% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  16.53 +/- 1.21   0.001% *  0.4200% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  15.78 +/- 1.42   0.001% *  0.1085% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  20.17 +/- 0.96   0.000% *  0.4017% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  15.80 +/- 1.40   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  21.42 +/- 1.47   0.000% *  0.4116% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  22.86 +/- 1.83   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  24.51 +/- 1.03   0.000% *  0.4200% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  28.49 +/- 1.33   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 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   2.69 +/- 0.28  85.322% * 84.8454% (0.98  10.0   4.92  44.11) =  97.074%  kept
          HD3   PRO   52 - HN    CYS   53   3.67 +/- 0.02  14.599% * 14.9480% (0.57   1.0   6.10  54.15) =   2.926%  kept
          HD2   PRO   58 - HN    CYS   53   9.23 +/- 1.22   0.078% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    CYS   53  18.40 +/- 1.38   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  24.93 +/- 1.10   0.000% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.64 +/- 1.22   0.000% *  0.0455% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 43.8:
      O   HB3   CYS   53 - HN    CYS   53   2.45 +/- 0.40  88.228% * 94.5165% (0.97  10.0   5.78  44.11) =  99.420%  kept
          HD3   PRO   93 - HN    CYS   53   4.44 +/- 1.60   9.440% *  5.1266% (1.00   1.0   1.05   0.02) =   0.577%  kept
          QB    PHE   55 - HN    CYS   53   4.95 +/- 0.33   2.047% *  0.0945% (0.97   1.0   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    CYS   53   6.88 +/- 0.75   0.261% *  0.0904% (0.92   1.0   0.02  31.60) =   0.000%
          HB2   PHE   59 - HN    CYS   53  10.65 +/- 1.20   0.024% *  0.0748% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  23.28 +/- 1.14   0.000% *  0.0971% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 8.2:
          QB    CYS   50 - HN    CYS   53   3.10 +/- 1.05  99.418% * 98.0457% (0.69   2.96   8.20) =  99.996%  kept
          QE    LYS+  74 - HN    CYS   53  10.17 +/- 1.04   0.392% *  0.7010% (0.73   0.02   0.02) =   0.003%
          HB3   ASP-  78 - HN    CYS   53  12.96 +/- 2.18   0.185% *  0.8064% (0.84   0.02   0.02) =   0.002%
          HB3   HIS  122 - HN    CYS   53  20.73 +/- 1.40   0.004% *  0.1490% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  27.74 +/- 0.83   0.001% *  0.2980% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.04 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   3.42 +/- 0.68  96.328% * 94.9827% (0.25   7.21  54.15) =  99.969%  kept
          HG2   MET   92 - HN    CYS   53   7.11 +/- 1.38   3.302% *  0.8079% (0.76   0.02   0.02) =   0.029%
          QG    GLU- 114 - HN    CYS   53  12.06 +/- 1.86   0.092% *  0.7261% (0.69   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    CYS   53  12.33 +/- 0.91   0.096% *  0.2636% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   53  11.53 +/- 1.23   0.143% *  0.1431% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    CYS   53  15.51 +/- 1.50   0.025% *  0.6412% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  17.34 +/- 0.98   0.010% *  0.1851% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  23.34 +/- 1.51   0.002% *  0.3606% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  24.72 +/- 1.83   0.001% *  0.2354% (0.22   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  32.66 +/- 0.97   0.000% *  0.8079% (0.76   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  33.37 +/- 2.21   0.000% *  0.8465% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 0.972, support = 7.17, residual support = 53.9:
          HG3   PRO   52 - HN    CYS   53   3.57 +/- 0.55  79.118% * 90.6413% (0.98   7.21  54.15) =  98.956%  kept
          HB2   ARG+  54 - HN    CYS   53   5.53 +/- 0.59   8.875% *  8.3829% (0.18   3.73  31.60) =   1.027%  kept
          HB2   PRO   93 - HN    CYS   53   5.85 +/- 1.93  11.830% *  0.1055% (0.41   0.02   0.02) =   0.017%
          HG2   PRO   58 - HN    CYS   53  11.15 +/- 1.20   0.129% *  0.2515% (0.98   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   53  13.26 +/- 2.45   0.047% *  0.0347% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  28.50 +/- 2.07   0.000% *  0.2561% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  26.07 +/- 0.94   0.001% *  0.0714% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  37.50 +/- 2.41   0.000% *  0.2566% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.653, support = 7.36, residual support = 53.6:
      O   HB3   PRO   52 - HN    CYS   53   3.60 +/- 0.45  88.216% * 77.7535% (0.65  10.0   7.44  54.15) =  97.664%  kept
          HG2   ARG+  54 - HN    CYS   53   5.60 +/- 0.44   7.652% * 21.4256% (0.90   1.0   3.98  31.60) =   2.334%  kept
          HB    ILE   56 - HN    CYS   53   6.94 +/- 1.55   3.904% *  0.0238% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    CYS   53  11.73 +/- 1.34   0.147% *  0.0826% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  14.94 +/- 1.57   0.038% *  0.0729% (0.61   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  14.76 +/- 1.59   0.028% *  0.0680% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  19.54 +/- 1.45   0.005% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  23.17 +/- 1.14   0.002% *  0.1110% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  22.18 +/- 1.51   0.002% *  0.0778% (0.65   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  21.98 +/- 1.05   0.002% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  24.47 +/- 1.04   0.001% *  0.0919% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  25.18 +/- 1.55   0.001% *  0.1137% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  21.98 +/- 1.19   0.002% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 5.85, residual support = 45.5:
        T HN    GLN   32 - HN    LEU   31   2.66 +/- 0.11  97.241% * 99.2679% (0.78 10.00   5.85  45.51) =  99.999%  kept
          HN    ALA   34 - HN    LEU   31   4.88 +/- 0.20   2.720% *  0.0183% (0.14  1.00   0.02   4.50) =   0.001%
          HN    THR   94 - HN    PHE   55  10.14 +/- 0.83   0.036% *  0.0145% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  18.31 +/- 3.16   0.001% *  0.1186% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  16.81 +/- 0.86   0.002% *  0.0296% (0.23  1.00   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  27.65 +/- 1.30   0.000% *  0.4843% (0.38 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  20.13 +/- 1.59   0.001% *  0.0578% (0.45  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  26.99 +/- 1.27   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 = 6.92, residual support = 48.7:
        T HN    GLN   30 - HN    LEU   31   2.50 +/- 0.09  96.642% * 81.8893% (0.53 10.00   6.95  49.08) =  99.266%  kept
          HN    GLU-  29 - HN    LEU   31   4.38 +/- 0.16   3.353% * 17.4431% (0.91  1.00   2.46   0.02) =   0.734%  kept
          HN    ASP-  86 - HN    LEU   31  17.34 +/- 3.56   0.001% *  0.0936% (0.60  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  15.13 +/- 0.73   0.002% *  0.0402% (0.26  1.00   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  25.30 +/- 1.29   0.000% *  0.3995% (0.26 10.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  17.75 +/- 1.64   0.001% *  0.0196% (0.13  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  21.02 +/- 1.38   0.000% *  0.0456% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  26.72 +/- 1.22   0.000% *  0.0692% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 3.19, residual support = 20.2:
      O   HA    PHE   55 - HN    PHE   55   2.83 +/- 0.06  94.658% * 99.0930% (0.48  10.0   3.19  20.22) =  99.998%  kept
          HA    TRP   27 - HN    LEU   31   4.69 +/- 0.28   4.840% *  0.0276% (0.13   1.0   0.02  12.73) =   0.001%
          HA    ALA  110 - HN    PHE   55   8.52 +/- 3.64   0.464% *  0.1465% (0.71   1.0   0.02   0.20) =   0.001%
          HA    ALA   91 - HN    PHE   55  11.99 +/- 1.33   0.021% *  0.0672% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  14.72 +/- 1.86   0.007% *  0.1308% (0.64   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  13.95 +/- 0.97   0.007% *  0.0925% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  21.37 +/- 2.00   0.001% *  0.0991% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.17 +/- 0.55   0.001% *  0.0701% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  23.73 +/- 1.86   0.000% *  0.1110% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  21.29 +/- 1.66   0.001% *  0.0509% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.08 +/- 1.24   0.000% *  0.0364% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  26.14 +/- 2.12   0.000% *  0.0751% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 2.91, residual support = 20.2:
      O   QB    PHE   55 - HN    PHE   55   2.05 +/- 0.16  99.201% * 99.1124% (0.79  10.0   2.91  20.22) =  99.999%  kept
          HD2   ARG+  54 - HN    PHE   55   5.35 +/- 0.46   0.364% *  0.0867% (0.69   1.0   0.02   3.62) =   0.000%
          HB3   CYS   53 - HN    PHE   55   5.48 +/- 0.20   0.295% *  0.0923% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   55   6.81 +/- 1.04   0.113% *  0.0998% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   8.55 +/- 0.90   0.026% *  0.0835% (0.66   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  18.83 +/- 1.00   0.000% *  0.0757% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  21.59 +/- 1.51   0.000% *  0.1000% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  20.97 +/- 1.26   0.000% *  0.0633% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  21.87 +/- 1.63   0.000% *  0.0699% (0.56   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  22.22 +/- 0.89   0.000% *  0.0756% (0.60   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.13 +/- 1.27   0.000% *  0.0751% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  27.15 +/- 2.15   0.000% *  0.0657% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 0.347, support = 3.52, residual support = 9.25:
      O   HA    ARG+  54 - HN    PHE   55   3.54 +/- 0.03  36.683% * 70.5000% (0.25  10.0   3.35   3.62) =  60.455%  kept
          HA    ASN   28 - HN    LEU   31   3.24 +/- 0.16  61.752% * 27.3908% (0.50   1.0   3.79  17.86) =  39.540%  kept
          HA    THR   26 - HN    LEU   31   6.49 +/- 0.21   0.984% *  0.1119% (0.39   1.0   0.02   0.02) =   0.003%
          HA    ALA   34 - HN    LEU   31   7.42 +/- 0.24   0.438% *  0.1670% (0.58   1.0   0.02   4.50) =   0.002%
          HA1   GLY  101 - HN    LEU   31  11.81 +/- 3.19   0.086% *  0.1726% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    PHE   55  11.57 +/- 1.33   0.046% *  0.1981% (0.69   1.0   0.02   5.02) =   0.000%
          HA    GLU- 114 - HN    PHE   55  14.57 +/- 1.27   0.009% *  0.2161% (0.75   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  21.87 +/- 1.51   0.001% *  0.1501% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  24.96 +/- 1.13   0.000% *  0.1908% (0.66   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  25.34 +/- 1.10   0.000% *  0.1637% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  27.13 +/- 1.22   0.000% *  0.2204% (0.77   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  26.06 +/- 1.31   0.000% *  0.1478% (0.51   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  28.61 +/- 2.18   0.000% *  0.2279% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  23.93 +/- 1.46   0.000% *  0.0534% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  25.19 +/- 2.43   0.000% *  0.0385% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  25.67 +/- 1.35   0.000% *  0.0509% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 7.03, residual support = 230.3:
      O   HA    LEU   31 - HN    LEU   31   2.80 +/- 0.03 100.000% * 99.9512% (0.60  10.0   7.03 230.32) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  24.94 +/- 1.32   0.000% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.471, support = 5.55, residual support = 39.0:
          HB2   GLN   30 - HN    LEU   31   3.36 +/- 0.21  53.401% * 34.0128% (0.48   6.08  49.08) =  68.372%  kept
          HB2   ARG+  54 - HN    PHE   55   3.52 +/- 0.16  40.336% * 14.6711% (0.39   3.27   3.62) =  22.276%  kept
          HG3   GLN   30 - HN    LEU   31   5.01 +/- 0.19   5.044% * 49.2400% (0.60   7.11  49.08) =   9.350%  kept
          HB2   PRO   93 - HN    PHE   55   6.95 +/- 1.16   1.003% *  0.0411% (0.18   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    PHE   55  11.92 +/- 1.92   0.045% *  0.1045% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   31   9.56 +/- 0.49   0.106% *  0.0431% (0.19   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  13.13 +/- 1.23   0.017% *  0.1212% (0.52   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  14.86 +/- 1.41   0.009% *  0.1477% (0.64   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  14.32 +/- 1.66   0.011% *  0.1045% (0.45   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  13.44 +/- 1.05   0.015% *  0.0680% (0.29   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  15.89 +/- 0.78   0.005% *  0.0680% (0.29   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  19.31 +/- 1.09   0.002% *  0.1212% (0.52   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  20.16 +/- 2.00   0.001% *  0.0898% (0.39   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  19.78 +/- 1.42   0.001% *  0.0791% (0.34   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  24.21 +/- 1.95   0.000% *  0.1829% (0.79   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  23.35 +/- 1.44   0.001% *  0.1477% (0.64   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  23.83 +/- 1.06   0.000% *  0.1601% (0.69   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  23.03 +/- 1.63   0.001% *  0.1119% (0.48   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  23.41 +/- 1.31   0.000% *  0.0898% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  19.81 +/- 0.99   0.001% *  0.0311% (0.13   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  26.28 +/- 1.92   0.000% *  0.0680% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  27.07 +/- 1.39   0.000% *  0.0791% (0.34   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  30.33 +/- 1.29   0.000% *  0.1601% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.48 +/- 1.51   0.000% *  0.0569% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 7.03, residual support = 230.3:
      O   HB2   LEU   31 - HN    LEU   31   2.49 +/- 0.13  99.555% * 98.5368% (0.78  10.0   7.03 230.32) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   6.74 +/- 0.79   0.354% *  0.0418% (0.33   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31  10.35 +/- 1.44   0.032% *  0.1023% (0.81   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  13.49 +/- 3.23   0.008% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  11.73 +/- 1.31   0.013% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  13.78 +/- 1.14   0.004% *  0.1177% (0.93   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  12.49 +/- 1.71   0.008% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  15.09 +/- 1.97   0.003% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.85 +/- 0.58   0.006% *  0.0443% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.57 +/- 0.87   0.004% *  0.0570% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  14.09 +/- 0.84   0.003% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  14.15 +/- 1.27   0.004% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  17.42 +/- 1.06   0.001% *  0.1169% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  21.51 +/- 2.38   0.000% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  19.88 +/- 0.94   0.000% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  16.90 +/- 1.25   0.001% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  19.68 +/- 1.28   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  21.69 +/- 1.09   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  21.91 +/- 1.51   0.000% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  19.04 +/- 0.75   0.001% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  27.15 +/- 1.72   0.000% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  25.93 +/- 1.30   0.000% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.40 +/- 0.96   0.000% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  32.43 +/- 1.01   0.000% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 7.03, residual support = 230.3:
      O   HB3   LEU   31 - HN    LEU   31   3.53 +/- 0.02  97.837% * 99.4260% (0.83  10.0   7.03 230.32) =  99.999%  kept
          QG1   VAL   24 - HN    LEU   31   8.27 +/- 0.90   0.802% *  0.0247% (0.21   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    PHE   55   9.61 +/- 1.76   0.835% *  0.0167% (0.14   1.0   0.02   2.18) =   0.000%
          QB    ALA   20 - HN    LEU   31  10.99 +/- 0.41   0.111% *  0.0994% (0.83   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    PHE   55   9.48 +/- 1.21   0.332% *  0.0167% (0.14   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    PHE   55  13.10 +/- 1.43   0.049% *  0.0499% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  15.66 +/- 1.45   0.016% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.06 +/- 0.80   0.008% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  21.62 +/- 1.88   0.002% *  0.1023% (0.86   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  22.36 +/- 1.38   0.002% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  21.38 +/- 1.95   0.003% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  19.88 +/- 1.83   0.004% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  25.51 +/- 1.38   0.001% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  27.82 +/- 2.46   0.000% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.634, support = 7.15, residual support = 217.6:
          HG    LEU   31 - HN    LEU   31   3.04 +/- 0.67  80.733% * 62.5664% (0.64   7.42 230.32) =  94.111%  kept
          QD1   ILE   56 - HN    PHE   55   5.03 +/- 0.68  11.123% * 19.1810% (0.45   3.23  18.59) =   3.975%  kept
          QD2   LEU   73 - HN    LEU   31   5.69 +/- 0.85   5.862% * 17.5125% (0.78   1.71   3.33) =   1.913%  kept
          QG1   VAL   41 - HN    LEU   31   6.15 +/- 0.65   2.270% *  0.0430% (0.16   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    LEU   31  18.36 +/- 1.31   0.003% *  0.2432% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    PHE   55  16.40 +/- 1.20   0.005% *  0.1000% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  21.60 +/- 1.27   0.001% *  0.1686% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  21.11 +/- 1.89   0.001% *  0.0822% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  23.70 +/- 1.37   0.001% *  0.0822% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  20.41 +/- 0.83   0.001% *  0.0210% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.14 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.79, residual support = 230.3:
          QD2   LEU   31 - HN    LEU   31   2.13 +/- 0.36  99.826% * 97.7141% (0.18   6.79 230.32) =  99.997%  kept
          QG2   VAL   43 - HN    LEU   31   7.20 +/- 1.23   0.172% *  1.4420% (0.92   0.02   0.02) =   0.003%
          QG2   VAL   43 - HN    PHE   55  14.31 +/- 1.17   0.002% *  0.7034% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  18.98 +/- 1.12   0.000% *  0.1405% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 994 (0.60, 7.85, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.602, support = 2.11, residual support = 3.33:
          QD1   LEU   73 - HN    LEU   31   3.91 +/- 0.65  96.034% * 91.2419% (0.60   2.11   3.33) =  99.960%  kept
          QD2   LEU   80 - HN    LEU   31   9.51 +/- 2.86   1.205% *  1.2887% (0.90   0.02   0.02) =   0.018%
          QD2   LEU  115 - HN    PHE   55   9.07 +/- 1.21   1.418% *  0.6162% (0.43   0.02   5.02) =   0.010%
          QG1   VAL   83 - HN    LEU   31  10.59 +/- 3.63   0.850% *  0.8639% (0.60   0.02   0.02) =   0.008%
          QD1   LEU  104 - HN    LEU   31  13.48 +/- 0.85   0.093% *  1.3236% (0.92   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    PHE   55  11.17 +/- 0.57   0.265% *  0.4214% (0.29   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LEU   31  14.25 +/- 1.15   0.056% *  0.8639% (0.60   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    PHE   55  16.71 +/- 1.25   0.026% *  0.6287% (0.44   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   31  18.99 +/- 2.37   0.012% *  1.2632% (0.88   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    PHE   55  17.32 +/- 0.90   0.019% *  0.4214% (0.29   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  17.70 +/- 1.44   0.016% *  0.4214% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  20.61 +/- 0.93   0.006% *  0.6457% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.671, support = 7.58, residual support = 48.8:
          HB3   GLN   30 - HN    LEU   31   3.01 +/- 0.30  93.177% * 87.2924% (0.68   7.62  49.08) =  99.131%  kept
          HB    ILE   56 - HN    PHE   55   5.18 +/- 0.96   6.571% * 10.8481% (0.17   3.75  18.59) =   0.869%  kept
          HB3   PRO   58 - HN    PHE   55   9.58 +/- 1.11   0.115% *  0.1509% (0.44   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    PHE   55  10.46 +/- 1.20   0.080% *  0.1336% (0.39   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.55 +/- 0.38   0.014% *  0.1661% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  11.76 +/- 0.88   0.029% *  0.0487% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  15.77 +/- 1.42   0.006% *  0.1185% (0.35   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  23.34 +/- 4.25   0.002% *  0.1787% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  21.62 +/- 1.49   0.001% *  0.2738% (0.81   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  24.23 +/- 1.22   0.000% *  0.3094% (0.91   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.01 +/- 0.89   0.004% *  0.0238% (0.07   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  22.33 +/- 1.47   0.001% *  0.1185% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  23.42 +/- 1.33   0.000% *  0.1118% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  27.75 +/- 2.12   0.000% *  0.0578% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  31.22 +/- 1.15   0.000% *  0.0810% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  37.51 +/- 2.09   0.000% *  0.0872% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.542, support = 5.82, residual support = 41.7:
          HG2   GLN   30 - HN    LEU   31   4.97 +/- 0.22  50.581% * 75.6219% (0.49   7.14  49.08) =  76.317%  kept
          HB3   ASN   28 - HN    LEU   31   4.99 +/- 0.21  49.369% * 24.0436% (0.71   1.56  17.86) =  23.683%  kept
          QE    LYS+ 121 - HN    LEU   31  19.89 +/- 1.95   0.016% *  0.0545% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    PHE   55  18.41 +/- 1.94   0.027% *  0.0266% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  23.91 +/- 1.45   0.004% *  0.1034% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  27.04 +/- 1.09   0.002% *  0.1501% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.15 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.42, residual support = 49.1:
      O   HA    GLN   30 - HN    LEU   31   3.59 +/- 0.03  85.102% * 98.9089% (0.64  10.0   6.42  49.08) =  99.995%  kept
          HB2   CYS   53 - HN    PHE   55   5.04 +/- 0.15  11.272% *  0.0195% (0.13   1.0   0.02   0.02) =   0.003%
          HD3   PRO   52 - HN    PHE   55   6.30 +/- 0.27   3.005% *  0.0537% (0.35   1.0   0.02   0.22) =   0.002%
          HB    THR   39 - HN    LEU   31   9.35 +/- 0.89   0.318% *  0.1046% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   31   9.84 +/- 0.43   0.206% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  16.07 +/- 4.14   0.021% *  0.1411% (0.91   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  17.33 +/- 2.18   0.010% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  14.95 +/- 1.44   0.019% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  14.35 +/- 1.77   0.036% *  0.0156% (0.10   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  20.04 +/- 2.37   0.004% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  23.20 +/- 1.64   0.001% *  0.0689% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  20.78 +/- 1.19   0.002% *  0.0321% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  22.24 +/- 1.18   0.002% *  0.0400% (0.26   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  26.52 +/- 1.57   0.001% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.06 +/- 1.44   0.001% *  0.0510% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  25.90 +/- 1.46   0.001% *  0.0483% (0.31   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  27.48 +/- 1.98   0.000% *  0.0537% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  29.45 +/- 1.30   0.000% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 6.49, residual support = 168.9:
      O   HA    ARG+  54 - HN    ARG+  54   2.74 +/- 0.03  99.906% * 99.0002% (0.61  10.0   6.49 168.93) = 100.000%  kept
          HA    LEU  115 - HN    ARG+  54  13.27 +/- 1.37   0.011% *  0.1527% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASP-  62  10.38 +/- 1.15   0.043% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  11.23 +/- 0.79   0.024% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  16.44 +/- 1.32   0.003% *  0.0990% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  16.15 +/- 1.86   0.004% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.67 +/- 0.84   0.005% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  24.12 +/- 0.99   0.000% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.67 +/- 1.14   0.002% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  19.32 +/- 0.46   0.001% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  27.15 +/- 1.02   0.000% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  21.49 +/- 0.78   0.000% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  28.84 +/- 2.22   0.000% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  24.91 +/- 1.06   0.000% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  27.45 +/- 1.33   0.000% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  23.04 +/- 1.99   0.000% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  22.19 +/- 1.01   0.000% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  22.61 +/- 1.09   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.0, residual support = 86.7:
      O   HB2   TRP   49 - HN    TRP   49   3.08 +/- 0.35  99.951% * 99.6106% (0.98  10.0   4.00  86.70) = 100.000%  kept
          HA    ALA   84 - HN    TRP   49  11.83 +/- 1.25   0.038% *  0.1007% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    TRP   49  15.68 +/- 2.37   0.010% *  0.0911% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  22.84 +/- 1.42   0.001% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  23.77 +/- 1.84   0.001% *  0.1014% (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 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.55, residual support = 14.7:
          QB    ALA   47 - HE1   TRP   49   3.38 +/- 0.87  99.976% * 98.5650% (1.00   2.55  14.71) = 100.000%  kept
          QG1   VAL   42 - HE1   TRP   49  16.90 +/- 1.32   0.010% *  0.7486% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HE1   TRP   49  20.03 +/- 2.36   0.008% *  0.5328% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  18.13 +/- 1.25   0.007% *  0.1535% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.75, residual support = 14.7:
          QB    ALA   47 - HN    TRP   49   2.60 +/- 0.23  99.995% * 99.0209% (1.00   3.75  14.71) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.84 +/- 0.68   0.002% *  0.5108% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  18.36 +/- 1.95   0.001% *  0.3636% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  16.22 +/- 0.46   0.002% *  0.1047% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.813, support = 0.0524, residual support = 0.0199:
          HB2   CYS   53 - HN    ALA   47   3.89 +/- 0.86  95.695% * 11.2045% (0.90   0.02   0.02) =  82.995%  kept
          HD3   PRO   52 - HN    ALA   47   7.65 +/- 0.95   3.922% * 55.0565% (0.41   0.21   0.02) =  16.716%  kept
          HD2   PRO   58 - HN    ALA   47  11.19 +/- 1.33   0.307% * 10.0040% (0.80   0.02   0.02) =   0.237%
          HA    VAL   83 - HN    ALA   47  14.56 +/- 0.58   0.065% *  9.0721% (0.73   0.02   0.02) =   0.046%
          HA    GLN   30 - HN    ALA   47  20.79 +/- 0.89   0.009% *  6.0812% (0.49   0.02   0.02) =   0.004%
          HA    GLU- 100 - HN    ALA   47  26.19 +/- 0.73   0.002% *  8.5818% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 1 structures by 0.15 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 = 3.13, residual support = 38.0:
      O   HB2   ASP-  44 - HN    ASP-  44   2.57 +/- 0.16  99.670% * 99.4473% (0.87  10.0   3.13  37.97) = 100.000%  kept
          HB3   PHE   72 - HN    ASP-  44   6.89 +/- 0.52   0.306% *  0.0876% (0.76   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  44  13.64 +/- 1.39   0.006% *  0.1085% (0.95   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  12.63 +/- 1.15   0.008% *  0.0391% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  44  14.66 +/- 1.27   0.004% *  0.0788% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  16.14 +/- 1.56   0.002% *  0.0958% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  14.22 +/- 0.52   0.004% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  24.17 +/- 2.40   0.000% *  0.1028% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  19.15 +/- 0.93   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.72, residual support = 7.3:
          HB2   LEU   73 - HN    ASP-  44   5.16 +/- 0.88  91.304% * 95.6376% (0.87   2.72   7.31) =  99.953%  kept
          QG1   ILE   56 - HN    ASP-  44   9.52 +/- 1.05   3.639% *  0.4921% (0.61   0.02   0.02) =   0.021%
          QD    LYS+ 106 - HN    ASP-  44  11.23 +/- 1.27   1.498% *  0.7953% (0.98   0.02   0.02) =   0.014%
          HB3   MET   92 - HN    ASP-  44  12.51 +/- 0.43   0.656% *  0.5892% (0.73   0.02   0.02) =   0.004%
          HG3   PRO   93 - HN    ASP-  44  11.77 +/- 0.69   0.945% *  0.2504% (0.31   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    ASP-  44  14.83 +/- 0.65   0.229% *  0.8042% (0.99   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    ASP-  44  12.06 +/- 1.57   1.205% *  0.1252% (0.15   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HN    ASP-  44  14.86 +/- 0.90   0.264% *  0.3949% (0.49   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ASP-  44  19.28 +/- 1.20   0.050% *  0.4921% (0.61   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ASP-  44  16.24 +/- 0.94   0.150% *  0.1421% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  18.90 +/- 1.82   0.060% *  0.2768% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 8 structures by 0.84 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.562, support = 1.25, residual support = 6.11:
          HB2   LYS+  74 - HN    ASP-  44   6.00 +/- 0.52  57.269% * 62.3242% (0.65   1.22   6.12) =  77.134%  kept
          HD3   LYS+  74 - HN    ASP-  44   6.57 +/- 0.70  34.886% * 30.0271% (0.28   1.37   6.12) =  22.638%  kept
          QG2   THR   26 - HN    ASP-  44   8.94 +/- 0.54   6.006% *  1.4141% (0.90   0.02   0.02) =   0.184%
          HG2   LYS+  65 - HN    ASP-  44  13.43 +/- 1.17   0.597% *  1.4916% (0.95   0.02   0.02) =   0.019%
          QD    LYS+  66 - HN    ASP-  44  14.84 +/- 0.78   0.279% *  1.4141% (0.90   0.02   0.02) =   0.009%
          HD2   LYS+ 121 - HN    ASP-  44  16.08 +/- 1.60   0.214% *  1.5456% (0.98   0.02   0.02) =   0.007%
          HG    LEU  104 - HN    ASP-  44  14.47 +/- 0.94   0.346% *  0.6483% (0.41   0.02   0.02) =   0.005%
          HB3   LYS+ 121 - HN    ASP-  44  15.37 +/- 1.24   0.251% *  0.6483% (0.41   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HN    ASP-  44  16.71 +/- 1.78   0.153% *  0.4867% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.60 A violated in 9 structures by 0.94 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.71, residual support = 38.0:
      O   HB3   ASP-  44 - HN    ASP-  44   3.42 +/- 0.34  98.580% * 99.1884% (0.99  10.0   3.71  37.97) =  99.999%  kept
          HB2   LEU   63 - HN    ASP-  44   9.47 +/- 1.07   0.360% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  44   9.68 +/- 1.63   0.304% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ASP-  44   9.52 +/- 0.76   0.309% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ASP-  44  10.84 +/- 1.14   0.126% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ASP-  44  11.31 +/- 2.29   0.125% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  11.45 +/- 1.01   0.086% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  11.99 +/- 0.86   0.071% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.41 +/- 1.63   0.005% *  0.0992% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.90 +/- 0.70   0.012% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  17.95 +/- 1.45   0.006% *  0.0647% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  19.13 +/- 0.43   0.004% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  18.40 +/- 1.55   0.005% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.64 +/- 1.09   0.006% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.17, residual support = 15.5:
          QG1   VAL   43 - HN    ASP-  44   3.87 +/- 0.64  84.711% * 97.7618% (0.90   4.17  15.48) =  99.911%  kept
          QG2   THR   46 - HN    ASP-  44   5.92 +/- 0.57   9.015% *  0.5179% (0.99   0.02   0.02) =   0.056%
          QG2   VAL   18 - HN    ASP-  44   7.08 +/- 1.07   4.016% *  0.5213% (1.00   0.02   0.02) =   0.025%
          QD1   ILE   19 - HN    ASP-  44   8.99 +/- 0.55   0.724% *  0.3993% (0.76   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    ASP-  44   9.12 +/- 0.31   0.670% *  0.3794% (0.73   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    ASP-  44   9.31 +/- 1.09   0.790% *  0.1034% (0.20   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ASP-  44  13.07 +/- 0.85   0.074% *  0.3169% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.71, residual support = 15.5:
          QG2   VAL   43 - HN    ASP-  44   3.02 +/- 0.39  98.139% * 99.0024% (0.65   3.71  15.48) =  99.990%  kept
          QD2   LEU   31 - HN    ASP-  44   6.84 +/- 0.86   1.286% *  0.6310% (0.76   0.02   0.02) =   0.008%
          QG2   VAL   83 - HN    ASP-  44   8.84 +/- 2.50   0.337% *  0.2549% (0.31   0.02   0.02) =   0.001%
          QD1   ILE   89 - HN    ASP-  44   9.92 +/- 1.93   0.238% *  0.1117% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.06 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 +/- 0.11  95.697% * 36.5033% (0.53   0.02   0.02) =  96.835%  kept
          HA    THR   23 - HN    VAL   43  14.87 +/- 1.39   3.238% * 21.4145% (0.31   0.02   0.02) =   1.922%  kept
          HA    ASP-  78 - HN    VAL   43  17.52 +/- 0.55   1.066% * 42.0822% (0.61   0.02   0.02) =   1.243%  kept
    Distance limit 4.49 A violated in 20 structures by 3.70 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   4.65 +/- 0.25 100.000% *100.0000% (0.53   1.50  16.40) = 100.000%  kept
    Distance limit 4.49 A violated in 0 structures by 0.20 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   3.15 +/- 0.71  99.227% * 97.4132% (0.97   2.96  16.40) =  99.997%  kept
          HB    VAL   70 - HN    VAL   43   9.32 +/- 0.49   0.367% *  0.6123% (0.90   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    VAL   43   9.72 +/- 0.89   0.320% *  0.1898% (0.28   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    VAL   43  14.05 +/- 0.78   0.029% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  14.10 +/- 0.97   0.029% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  14.41 +/- 0.55   0.021% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  16.90 +/- 0.93   0.008% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.24, residual support = 60.6:
      O   HB    VAL   43 - HN    VAL   43   2.68 +/- 0.19  99.951% * 99.7821% (0.87  10.0   4.24  60.56) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.37 +/- 0.54   0.036% *  0.0879% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  17.24 +/- 1.32   0.002% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  13.78 +/- 2.04   0.008% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  15.22 +/- 0.78   0.003% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.822, support = 5.3, residual support = 37.7:
          HB    VAL   42 - HN    VAL   43   4.47 +/- 0.11  51.039% * 70.4044% (0.84   5.63  40.12) =  92.555%  kept
          HB3   LEU   73 - HN    VAL   43   6.47 +/- 1.25  10.029% * 15.7117% (0.90   1.17   7.90) =   4.059%  kept
          HG    LEU   98 - HN    VAL   43   5.84 +/- 1.59  20.608% *  3.5252% (0.49   0.48   0.02) =   1.871%  kept
          HB3   ASP-  44 - HN    VAL   43   6.33 +/- 0.40   6.961% *  8.3093% (0.25   2.22  15.48) =   1.490%  kept
          QB    LEU   98 - HN    VAL   43   6.27 +/- 0.75   8.692% *  0.0525% (0.18   0.02   0.02) =   0.012%
          HG3   LYS+ 106 - HN    VAL   43   8.65 +/- 0.87   1.213% *  0.2990% (1.00   0.02   0.02) =   0.009%
          HB2   LEU   63 - HN    VAL   43   9.18 +/- 1.11   0.906% *  0.0525% (0.18   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    VAL   43  11.12 +/- 0.55   0.226% *  0.1938% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  13.77 +/- 1.03   0.067% *  0.2766% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   43  12.97 +/- 1.37   0.099% *  0.1817% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    VAL   43  13.21 +/- 0.54   0.078% *  0.2290% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  15.24 +/- 1.13   0.036% *  0.2503% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  18.45 +/- 1.78   0.012% *  0.2892% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  16.23 +/- 1.62   0.026% *  0.1125% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  20.62 +/- 2.05   0.007% *  0.1125% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (0.75, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 5.22, residual support = 60.6:
          QG1   VAL   43 - HN    VAL   43   2.87 +/- 0.56  97.857% * 98.2030% (0.90   5.22  60.56) =  99.994%  kept
          QG1   VAL   41 - HN    VAL   43   6.51 +/- 0.30   1.102% *  0.3046% (0.73   0.02   1.95) =   0.003%
          QG2   VAL   18 - HN    VAL   43   8.97 +/- 1.08   0.230% *  0.4186% (1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   43   9.08 +/- 0.74   0.166% *  0.4158% (0.99   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    VAL   43   9.58 +/- 0.82   0.187% *  0.2544% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.04 +/- 0.70   0.095% *  0.3206% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   8.33 +/- 0.91   0.364% *  0.0830% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.717, support = 2.22, residual support = 2.06:
          QG2   VAL   41 - HN    VAL   43   4.85 +/- 0.61  36.723% * 89.9223% (0.73   2.29   1.95) =  96.886%  kept
          QD1   LEU   73 - HN    VAL   43   5.76 +/- 0.51  10.768% *  7.0342% (0.45   0.29   7.90) =   2.222%  kept
          QD2   LEU   98 - HN    VAL   43   4.94 +/- 1.45  40.232% *  0.5698% (0.53   0.02   0.02) =   0.673%  kept
          QD1   LEU   63 - HN    VAL   43   6.62 +/- 1.32   7.956% *  0.4855% (0.45   0.02   0.02) =   0.113%
          QD2   LEU   63 - HN    VAL   43   7.73 +/- 1.47   3.110% *  1.0616% (0.98   0.02   0.02) =   0.097%
          QD1   LEU   80 - HN    VAL   43  12.01 +/- 2.35   0.243% *  0.5698% (0.53   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    VAL   43  10.74 +/- 2.33   0.563% *  0.1897% (0.18   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    VAL   43  10.83 +/- 2.17   0.405% *  0.1671% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.26 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.15, residual support = 40.1:
          QG1   VAL   42 - HN    VAL   43   2.91 +/- 0.27  99.790% * 99.2483% (0.97   5.15  40.12) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   8.51 +/- 0.89   0.194% *  0.0790% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  13.05 +/- 0.21   0.014% *  0.3984% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  17.90 +/- 2.36   0.003% *  0.2743% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.768, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   6.28 +/- 0.73  85.912% * 27.6841% (0.73   0.02   0.02) =  82.240%  kept
          QG2   VAL   83 - HN    VAL   43  10.37 +/- 2.80   8.121% * 38.1246% (1.00   0.02   0.02) =  10.705%  kept
          QD1   ILE   89 - HN    VAL   43  10.80 +/- 2.02   5.967% * 34.1913% (0.90   0.02   0.02) =   7.054%  kept
    Distance limit 3.98 A violated in 20 structures by 2.12 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.742, support = 5.06, residual support = 18.3:
          HB    VAL   41 - HN    VAL   42   4.01 +/- 0.28  25.431% * 85.6801% (0.97   5.68  23.94) =  70.017%  kept
          HB2   LEU   71 - HN    VAL   42   3.25 +/- 0.68  74.107% * 12.5898% (0.22   3.62   5.27) =  29.980%  kept
          HG12  ILE  103 - HN    VAL   42   9.35 +/- 0.58   0.182% *  0.3125% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    VAL   42  11.58 +/- 0.51   0.046% *  0.2610% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   42  11.47 +/- 1.03   0.053% *  0.1066% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    VAL   42  10.83 +/- 0.80   0.077% *  0.0482% (0.15   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  11.62 +/- 0.39   0.044% *  0.0618% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  12.95 +/- 1.50   0.026% *  0.0696% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  13.15 +/- 0.44   0.022% *  0.0779% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  16.93 +/- 2.49   0.005% *  0.2803% (0.90   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  16.87 +/- 0.58   0.005% *  0.1769% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  20.92 +/- 1.29   0.001% *  0.2803% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  21.00 +/- 1.53   0.001% *  0.0547% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 5.77, residual support = 88.3:
      O   HB    VAL   42 - HN    VAL   42   2.47 +/- 0.12  96.982% * 99.1706% (0.98  10.0   5.77  88.32) =  99.998%  kept
          HB3   LEU   73 - HN    VAL   42   5.81 +/- 0.94   1.052% *  0.0957% (0.95   1.0   0.02   1.54) =   0.001%
          QB    LEU   98 - HN    VAL   42   5.63 +/- 0.58   0.977% *  0.0573% (0.57   1.0   0.02   0.55) =   0.001%
          HG    LEU   98 - HN    VAL   42   6.33 +/- 1.30   0.910% *  0.0137% (0.14   1.0   0.02   0.55) =   0.000%
          HG3   LYS+  33 - HN    VAL   42   9.45 +/- 0.72   0.034% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.56 +/- 0.81   0.010% *  0.0773% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  10.70 +/- 0.44   0.016% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  13.48 +/- 1.15   0.004% *  0.0934% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  14.74 +/- 0.81   0.002% *  0.0992% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  17.59 +/- 2.06   0.002% *  0.0845% (0.84   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  14.73 +/- 1.66   0.003% *  0.0281% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  14.87 +/- 0.65   0.002% *  0.0225% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  15.36 +/- 2.47   0.002% *  0.0177% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  15.48 +/- 1.38   0.002% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  21.57 +/- 1.98   0.000% *  0.0878% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.927, residual support = 1.25:
          QD1   LEU   40 - HN    VAL   42   4.17 +/- 0.73  97.030% * 97.2450% (0.98   0.93   1.25) =  99.947%  kept
          QD2   LEU   67 - HN    VAL   42   8.95 +/- 1.16   2.855% *  1.7134% (0.80   0.02   0.02) =   0.052%
          QG1   VAL  108 - HN    VAL   42  13.97 +/- 0.78   0.115% *  1.0416% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 1 structures by 0.16 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.824, support = 4.77, residual support = 33.2:
          QG1   VAL   43 - HN    VAL   42   4.28 +/- 0.89  52.755% * 49.9483% (0.90   4.37  40.12) =  57.197%  kept
          QG1   VAL   41 - HN    VAL   42   4.34 +/- 0.16  40.108% * 49.1439% (0.73   5.30  23.94) =  42.784%  kept
          QD1   ILE   19 - HN    VAL   42   7.62 +/- 0.83   1.827% *  0.1950% (0.76   0.02   0.02) =   0.008%
          QG2   VAL   18 - HN    VAL   42   8.55 +/- 0.85   0.865% *  0.2546% (1.00   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    VAL   42   6.91 +/- 0.92   3.727% *  0.0505% (0.20   0.02   0.02) =   0.004%
          QD2   LEU  104 - HN    VAL   42   9.45 +/- 0.98   0.566% *  0.1548% (0.61   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    VAL   42  11.20 +/- 0.55   0.151% *  0.2529% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.723, support = 5.98, residual support = 23.9:
          QG2   VAL   41 - HN    VAL   42   2.97 +/- 0.39  81.091% * 96.4033% (0.73   6.00  23.94) =  99.618%  kept
          QD1   LEU   73 - HN    VAL   42   4.27 +/- 0.44  12.045% *  2.3530% (0.45   0.24   1.54) =   0.361%
          QD2   LEU   98 - HN    VAL   42   5.22 +/- 1.02   6.055% *  0.2328% (0.53   0.02   0.55) =   0.018%
          QD2   LEU   63 - HN    VAL   42   8.18 +/- 1.51   0.308% *  0.4338% (0.98   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    VAL   42   7.94 +/- 1.24   0.419% *  0.1984% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   42  13.12 +/- 2.41   0.020% *  0.2328% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  12.95 +/- 2.30   0.031% *  0.0775% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  11.82 +/- 2.25   0.031% *  0.0683% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.42, residual support = 88.3:
          QG1   VAL   42 - HN    VAL   42   3.53 +/- 0.18  99.984% * 99.2559% (0.87   5.42  88.32) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.80 +/- 0.26   0.013% *  0.3227% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  20.96 +/- 2.64   0.003% *  0.4214% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 5.27, residual support = 86.9:
          QG2   VAL   42 - HN    VAL   42   3.27 +/- 0.28  77.234% * 94.1323% (0.61   5.34  88.32) =  98.307%  kept
          QG2   VAL   70 - HN    VAL   42   4.08 +/- 0.19  22.309% *  5.6070% (0.14   1.43   1.32) =   1.691%  kept
          QG2   VAL   75 - HN    VAL   42   7.85 +/- 0.50   0.457% *  0.2607% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.60 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 = 4.52, residual support = 74.7:
      O   HB    VAL   41 - HN    VAL   41   2.90 +/- 0.39  93.900% * 99.3523% (0.90  10.0   4.52  74.66) =  99.995%  kept
          HB2   LEU   71 - HN    VAL   41   5.25 +/- 0.90   5.310% *  0.0672% (0.61   1.0   0.02   4.34) =   0.004%
          HG12  ILE  103 - HN    VAL   41   7.47 +/- 0.58   0.399% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   41   8.09 +/- 1.17   0.351% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    VAL   41  12.64 +/- 0.61   0.017% *  0.1098% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  16.75 +/- 2.56   0.012% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  15.30 +/- 0.53   0.005% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  19.46 +/- 0.66   0.001% *  0.1048% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  16.37 +/- 1.00   0.004% *  0.0171% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.76 +/- 1.37   0.000% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.175, support = 3.78, residual support = 19.7:
          HG    LEU   40 - HN    VAL   41   3.23 +/- 0.81  98.113% * 80.6292% (0.18   3.78  19.67) =  99.961%  kept
          HG    LEU   73 - HN    VAL   41   8.40 +/- 1.18   0.993% *  1.4765% (0.61   0.02   0.02) =   0.019%
          HB3   LEU   67 - HN    VAL   41  10.74 +/- 2.07   0.348% *  2.3028% (0.95   0.02   0.02) =   0.010%
          HG2   LYS+ 102 - HN    VAL   41   9.70 +/- 0.96   0.315% *  1.1849% (0.49   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    VAL   41  11.85 +/- 1.34   0.087% *  2.1832% (0.90   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    VAL   41  14.67 +/- 0.80   0.031% *  2.4290% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   41  14.36 +/- 0.92   0.025% *  1.9493% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   41  13.53 +/- 1.86   0.035% *  0.8304% (0.34   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   41  18.33 +/- 3.19   0.009% *  2.3493% (0.97   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  17.72 +/- 0.77   0.008% *  2.3028% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  15.08 +/- 0.43   0.021% *  0.7514% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  18.75 +/- 2.58   0.007% *  1.1849% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  17.35 +/- 1.95   0.009% *  0.4263% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.872, support = 1.47, residual support = 9.03:
          QB    ALA   34 - HN    VAL   41   4.02 +/- 0.35  87.420% * 73.8393% (0.90   1.47   9.41) =  95.934%  kept
          QG2   THR   39 - HN    VAL   41   5.84 +/- 0.44  11.830% * 23.0880% (0.28   1.48   0.02) =   4.059%  kept
          HG3   LYS+  38 - HN    VAL   41   9.45 +/- 0.94   0.662% *  0.5891% (0.53   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    VAL   41  15.50 +/- 1.27   0.031% *  0.8131% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    VAL   41  17.11 +/- 0.80   0.017% *  1.1098% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    VAL   41  15.52 +/- 0.58   0.029% *  0.2493% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  18.78 +/- 1.30   0.010% *  0.3113% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 4.49, residual support = 19.7:
          QD2   LEU   40 - HN    VAL   41   2.79 +/- 0.52  98.095% * 97.7405% (0.92   4.49  19.67) =  99.993%  kept
          QD2   LEU   71 - HN    VAL   41   7.03 +/- 0.87   0.876% *  0.3051% (0.65   0.02   4.34) =   0.003%
          QD1   LEU   67 - HN    VAL   41   8.87 +/- 1.84   0.343% *  0.4462% (0.95   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    VAL   41   7.96 +/- 0.36   0.283% *  0.4675% (0.99   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    VAL   41   7.88 +/- 0.81   0.368% *  0.2482% (0.53   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    VAL   41  12.86 +/- 1.80   0.021% *  0.1609% (0.34   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  13.73 +/- 0.63   0.011% *  0.1609% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    VAL   41  16.16 +/- 0.58   0.004% *  0.4706% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.51, residual support = 74.7:
          QG1   VAL   41 - HN    VAL   41   2.03 +/- 0.29  99.024% * 98.1955% (1.00   4.51  74.66) =  99.998%  kept
          QG1   VAL   43 - HN    VAL   41   6.50 +/- 1.12   0.207% *  0.4122% (0.95   0.02   1.95) =   0.001%
          QD2   LEU  104 - HN    VAL   41   6.44 +/- 1.08   0.657% *  0.0862% (0.20   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    VAL   41   8.12 +/- 1.22   0.045% *  0.2643% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    VAL   41   7.60 +/- 0.40   0.052% *  0.1954% (0.45   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  11.82 +/- 0.73   0.005% *  0.3330% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41  10.33 +/- 0.96   0.008% *  0.1345% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  14.51 +/- 0.67   0.001% *  0.2819% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  15.30 +/- 0.84   0.001% *  0.0970% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.711, support = 4.15, residual support = 71.2:
          QG2   VAL   41 - HN    VAL   41   3.57 +/- 0.37  73.246% * 79.0169% (0.73   4.38  74.66) =  92.228%  kept
          QD2   LEU   98 - HN    VAL   41   4.44 +/- 0.49  24.828% * 19.6242% (0.53   1.50  29.79) =   7.764%  kept
          QD1   LEU   73 - HN    VAL   41   7.16 +/- 0.58   1.241% *  0.2230% (0.45   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    VAL   41   9.30 +/- 1.47   0.383% *  0.4875% (0.98   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    VAL   41   9.59 +/- 1.09   0.239% *  0.2230% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   41  16.00 +/- 2.57   0.013% *  0.2617% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  14.25 +/- 2.24   0.027% *  0.0871% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  14.55 +/- 2.43   0.023% *  0.0767% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (0.21, 9.02, 128.16 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 2.71, residual support = 2.71:
          QG2   VAL   70 - HN    VAL   41   4.64 +/- 0.25  98.633% * 98.4433% (0.18   2.71   2.71) =  99.978%  kept
          QG2   THR  118 - HN    VAL   41   9.77 +/- 1.20   1.367% *  1.5567% (0.38   0.02   0.02) =   0.022%
    Distance limit 4.79 A violated in 0 structures by 0.04 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.299, support = 1.6, residual support = 34.7:
          HA    VAL   70 - HN    LEU   40   3.15 +/- 0.67  97.543% * 38.6588% (0.28   1.63  35.85) =  96.732%  kept
          HB2   SER   37 - HN    LEU   40   6.52 +/- 0.23   2.144% * 59.1898% (0.92   0.75   0.02) =   3.255%  kept
          HA1   GLY   16 - HN    LEU   40  11.14 +/- 1.95   0.309% *  1.6760% (0.98   0.02   0.02) =   0.013%
          HA    GLN  116 - HN    LEU   40  18.23 +/- 2.00   0.005% *  0.4754% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.92, residual support = 23.6:
          HB    THR   39 - HN    LEU   40   3.66 +/- 0.21  97.801% * 94.9732% (0.41   3.92  23.59) =  99.991%  kept
          HB3   SER   37 - HN    LEU   40   7.03 +/- 0.26   2.058% *  0.3280% (0.28   0.02   0.02) =   0.007%
          HA    GLN   30 - HN    LEU   40  11.72 +/- 0.72   0.101% *  1.1160% (0.95   0.02   0.02) =   0.001%
          QB    SER   13 - HN    LEU   40  15.55 +/- 2.30   0.037% *  0.5289% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  25.56 +/- 3.28   0.001% *  0.9016% (0.76   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  24.11 +/- 1.20   0.001% *  0.6679% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  28.54 +/- 1.02   0.000% *  1.1564% (0.98   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  24.88 +/- 2.07   0.001% *  0.3280% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.554, support = 0.73, residual support = 11.9:
          QE    LYS+  99 - HN    LEU   40   4.33 +/- 0.62  93.201% * 52.3608% (0.57   0.72  12.50) =  95.482%  kept
          QE    LYS+  38 - HN    LEU   40   8.61 +/- 1.29   5.751% * 39.7997% (0.31   1.00   0.02) =   4.478%  kept
          HB2   PHE   97 - HN    LEU   40  10.13 +/- 0.97   0.658% *  2.4879% (0.97   0.02   1.59) =   0.032%
          HB3   TRP   27 - HN    LEU   40  15.52 +/- 1.27   0.058% *  2.5269% (0.98   0.02   0.02) =   0.003%
          QE    LYS+ 106 - HN    LEU   40  15.00 +/- 1.20   0.064% *  1.4595% (0.57   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HN    LEU   40  12.75 +/- 1.03   0.217% *  0.3978% (0.15   0.02   0.02) =   0.002%
          HB3   PHE   60 - HN    LEU   40  15.73 +/- 0.98   0.052% *  0.9675% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.71, residual support = 102.7:
      O   HB2   LEU   40 - HN    LEU   40   2.43 +/- 0.26  99.988% * 99.7221% (0.97  10.0   4.71 102.67) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  13.02 +/- 0.74   0.006% *  0.0954% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  15.38 +/- 1.44   0.002% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  14.01 +/- 1.62   0.004% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  22.42 +/- 3.29   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  26.78 +/- 1.71   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.612, support = 4.9, residual support = 102.7:
      O   HB3   LEU   40 - HN    LEU   40   2.49 +/- 0.26  95.711% * 68.9677% (0.61  10.0   4.89 102.67) =  98.167%  kept
          HG    LEU   40 - HN    LEU   40   4.36 +/- 0.15   4.045% * 30.4614% (0.92   1.0   5.80 102.67) =   1.832%  kept
          HG    LEU   67 - HN    LEU   40   9.39 +/- 1.27   0.049% *  0.1115% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   40   8.45 +/- 1.83   0.142% *  0.0175% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40  10.00 +/- 1.16   0.031% *  0.0510% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  12.48 +/- 1.36   0.010% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  14.55 +/- 1.58   0.004% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  12.89 +/- 0.97   0.007% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  19.03 +/- 2.01   0.001% *  0.1050% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  19.53 +/- 2.10   0.001% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.319, support = 3.54, residual support = 22.0:
          QG2   THR   39 - HN    LEU   40   2.68 +/- 0.40  95.302% * 39.2173% (0.28   3.67  23.59) =  93.410%  kept
          QB    ALA   34 - HN    LEU   40   4.78 +/- 0.37   4.492% * 58.6751% (0.90   1.70   0.12) =   6.588%  kept
          HG3   LYS+  38 - HN    LEU   40   7.93 +/- 0.86   0.200% *  0.4041% (0.53   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    LEU   40  17.09 +/- 1.22   0.002% *  0.5577% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LEU   40  18.77 +/- 0.62   0.001% *  0.7612% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  18.17 +/- 0.46   0.001% *  0.1710% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  21.64 +/- 1.09   0.001% *  0.2135% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.864, support = 1.34, residual support = 29.2:
          QG1   VAL   70 - HN    LEU   40   4.09 +/- 1.00  67.961% * 63.6444% (0.84   1.50  35.85) =  80.419%  kept
          QD1   LEU   71 - HN    LEU   40   5.27 +/- 1.33  31.491% * 33.4309% (0.98   0.67   1.78) =  19.573%  kept
          HB3   LEU  104 - HN    LEU   40  10.19 +/- 0.83   0.207% *  0.9378% (0.92   0.02   0.02) =   0.004%
          QD1   LEU  123 - HN    LEU   40  12.41 +/- 2.10   0.123% *  0.9958% (0.98   0.02   0.02) =   0.002%
          QG1   VAL   18 - HN    LEU   40  11.71 +/- 1.12   0.091% *  0.7377% (0.73   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    LEU   40  11.30 +/- 1.25   0.127% *  0.2533% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.562, support = 4.63, residual support = 94.5:
          QD2   LEU   40 - HN    LEU   40   4.16 +/- 0.18  79.613% * 66.8176% (0.53   4.93 102.67) =  91.952%  kept
          QD2   LEU   71 - HN    LEU   40   5.65 +/- 0.65  14.843% * 31.2529% (0.98   1.24   1.78) =   8.019%  kept
          QD1   LEU   67 - HN    LEU   40   7.63 +/- 1.63   4.893% *  0.2920% (0.57   0.02   0.02) =   0.025%
          QD1   ILE  103 - HN    LEU   40  11.53 +/- 0.89   0.214% *  0.4761% (0.92   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    LEU   40  11.16 +/- 0.53   0.236% *  0.3543% (0.69   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    LEU   40  12.70 +/- 1.91   0.184% *  0.3941% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  17.46 +/- 0.87   0.016% *  0.4130% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.1, residual support = 35.9:
          QG2   VAL   70 - HN    LEU   40   3.99 +/- 0.53 100.000% *100.0000% (0.57   6.10  35.85) = 100.000%  kept
    Distance limit 4.36 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.234, support = 1.89, residual support = 8.77:
          HA    ALA   34 - HN    THR   39   2.62 +/- 0.38  99.394% * 22.1637% (0.22   1.89   8.94) =  98.038%  kept
          HA    GLU-  36 - HN    THR   39   6.49 +/- 0.09   0.594% * 74.1744% (0.80   1.76   0.02) =   1.962%  kept
          HA    ASN   28 - HN    THR   39  12.79 +/- 0.42   0.010% *  0.3955% (0.38   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    THR   39  18.55 +/- 2.86   0.002% *  1.0169% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  21.99 +/- 1.73   0.000% *  0.3594% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  26.65 +/- 1.73   0.000% *  0.9450% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  27.65 +/- 1.33   0.000% *  0.9450% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 0.858, support = 2.93, residual support = 6.16:
          HA    SER   37 - HN    THR   39   4.32 +/- 0.08  81.195% * 53.9521% (0.90   2.87   2.97) =  84.521%  kept
          HA    LEU   40 - HN    THR   39   5.54 +/- 0.07  18.190% * 44.0948% (0.65   3.25  23.59) =  15.476%  kept
          HA    GLU-  15 - HN    THR   39  12.17 +/- 1.35   0.206% *  0.3504% (0.84   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    THR   39  10.94 +/- 0.21   0.308% *  0.1431% (0.34   0.02   0.02) =   0.001%
          HA    SER   13 - HN    THR   39  15.85 +/- 2.32   0.051% *  0.3504% (0.84   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   39  15.45 +/- 1.08   0.043% *  0.3763% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.41 +/- 0.38   0.003% *  0.3969% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  22.90 +/- 0.82   0.004% *  0.3359% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.405, support = 3.75, residual support = 36.7:
      O   HB    THR   39 - HN    THR   39   2.79 +/- 0.24  61.407% * 92.1605% (0.41  10.0   3.83  38.28) =  95.482%  kept
          HB3   SER   37 - HN    THR   39   3.08 +/- 0.28  38.548% *  6.9466% (0.28   1.0   2.23   2.97) =   4.518%  kept
          HA    GLN   30 - HN    THR   39   9.63 +/- 0.62   0.038% *  0.2121% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  14.78 +/- 2.69   0.006% *  0.1005% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  25.40 +/- 3.67   0.000% *  0.1713% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  26.89 +/- 1.15   0.000% *  0.1269% (0.57   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  31.41 +/- 1.03   0.000% *  0.2197% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  26.71 +/- 2.25   0.000% *  0.0623% (0.28   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 = 0.722, support = 3.45, residual support = 25.7:
          QG2   THR   39 - HN    THR   39   3.41 +/- 0.40  53.956% * 21.0292% (0.49   3.76  38.28) =  47.402%  kept
          QB    ALA   34 - HN    THR   39   3.62 +/- 0.19  39.771% * 22.9594% (1.00   2.00   8.94) =  38.147%  kept
          HG3   LYS+  38 - HN    THR   39   5.24 +/- 0.53   6.239% * 55.4418% (0.76   6.31  28.45) =  14.451%  kept
          HG13  ILE   19 - HN    THR   39  12.35 +/- 0.95   0.028% *  0.0455% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  18.09 +/- 0.60   0.003% *  0.1996% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  19.96 +/- 1.36   0.002% *  0.2124% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  23.40 +/- 1.13   0.001% *  0.1120% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.62, residual support = 219.5:
      O   HA    LYS+  38 - HN    LYS+  38   2.21 +/- 0.00  99.558% * 99.7734% (0.80  10.0   6.62 219.50) = 100.000%  kept
          HA    GLU- 100 - HN    LYS+  38   5.88 +/- 0.92   0.442% *  0.0705% (0.57   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  18.04 +/- 0.57   0.000% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  24.24 +/- 3.99   0.000% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  27.81 +/- 0.97   0.000% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 219.5:
      O   HB2   LYS+  38 - HN    LYS+  38   3.25 +/- 0.14  99.901% * 99.7624% (1.00  10.0   5.63 219.50) = 100.000%  kept
          HB3   GLU-  29 - HN    LYS+  38  12.72 +/- 0.58   0.030% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    LYS+  38  12.11 +/- 0.93   0.049% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  38  14.93 +/- 0.53   0.011% *  0.0724% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  16.49 +/- 1.17   0.007% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  19.03 +/- 0.61   0.003% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  31.89 +/- 1.47   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.2, residual support = 219.5:
      O   HB3   LYS+  38 - HN    LYS+  38   4.06 +/- 0.08  92.883% * 99.4497% (0.90  10.0   5.20 219.50) =  99.998%  kept
          QB    LYS+  33 - HN    LYS+  38   6.36 +/- 0.42   6.882% *  0.0219% (0.20   1.0   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    LYS+  38  11.53 +/- 0.76   0.203% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  17.33 +/- 0.76   0.016% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  20.93 +/- 3.99   0.012% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  27.10 +/- 1.14   0.001% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  26.78 +/- 1.36   0.001% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  28.26 +/- 0.94   0.001% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  26.16 +/- 1.64   0.001% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  31.67 +/- 1.37   0.000% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (1.31, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.86, residual support = 219.5:
          HG2   LYS+  38 - HN    LYS+  38   3.31 +/- 0.21  99.430% * 98.4040% (0.65   5.86 219.50) =  99.999%  kept
          HG2   LYS+  99 - HN    LYS+  38   8.48 +/- 0.74   0.422% *  0.2733% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    LYS+  38   9.94 +/- 0.39   0.142% *  0.1156% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  20.74 +/- 0.55   0.002% *  0.4913% (0.95   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  25.22 +/- 2.40   0.001% *  0.4913% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  18.62 +/- 0.63   0.003% *  0.0801% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  30.48 +/- 1.87   0.000% *  0.1444% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1050 (2.18, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.38, residual support = 28.5:
          HB2   LYS+  38 - HN    THR   39   4.20 +/- 0.15  98.810% * 99.1229% (1.00   5.38  28.45) =  99.999%  kept
          HB    VAL   70 - HN    THR   39   9.59 +/- 0.90   0.942% *  0.0729% (0.20   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    THR   39  12.96 +/- 0.64   0.124% *  0.1256% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    THR   39  15.23 +/- 0.59   0.046% *  0.2674% (0.73   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    THR   39  14.61 +/- 1.14   0.066% *  0.0918% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    THR   39  18.95 +/- 0.54   0.012% *  0.1256% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    THR   39  30.63 +/- 1.39   0.001% *  0.1937% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.42, residual support = 26.5:
      O   HB3   SER   37 - HN    SER   37   2.51 +/- 0.29  98.300% * 99.5080% (0.99  10.0   3.42  26.47) =  99.998%  kept
          HB    THR   39 - HN    SER   37   5.23 +/- 0.27   1.607% *  0.0995% (0.99   1.0   0.02   2.97) =   0.002%
          HA    GLN   30 - HN    SER   37   8.77 +/- 0.49   0.084% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  14.79 +/- 2.89   0.009% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  25.27 +/- 3.96   0.000% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  22.88 +/- 1.32   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  27.91 +/- 2.39   0.000% *  0.0995% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  33.22 +/- 1.15   0.000% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 18.8:
          QB    GLU-  36 - HN    SER   37   3.49 +/- 0.23  98.123% * 98.3054% (1.00   3.72  18.77) =  99.998%  kept
          HG3   GLU- 100 - HN    SER   37   7.49 +/- 1.25   1.747% *  0.0925% (0.18   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    SER   37  11.27 +/- 0.71   0.098% *  0.4583% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.59 +/- 0.67   0.030% *  0.2572% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  23.64 +/- 1.58   0.001% *  0.5237% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  31.73 +/- 1.62   0.000% *  0.3629% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.13, residual support = 13.5:
          HG2   LYS+  38 - HN    SER   37   4.87 +/- 0.10  98.520% * 97.0759% (0.38   4.13  13.53) =  99.994%  kept
          HG2   LYS+  99 - HN    SER   37  10.09 +/- 0.75   1.410% *  0.3480% (0.28   0.02   0.02) =   0.005%
          QG2   THR   77 - HN    SER   37  20.48 +/- 0.65   0.019% *  1.2404% (0.99   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    SER   37  17.62 +/- 0.74   0.046% *  0.4269% (0.34   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  25.27 +/- 2.42   0.006% *  0.9088% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.38 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   3.53 +/- 0.18  91.320% * 97.9497% (0.65   6.05  51.91) =  99.958%  kept
          QE    LYS+  33 - HN    GLU-  36   5.72 +/- 0.89   8.599% *  0.4340% (0.87   0.02   0.02) =   0.042%
          HB2   ASN   28 - HN    GLU-  36  11.68 +/- 0.71   0.077% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  21.78 +/- 1.01   0.002% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  22.87 +/- 4.19   0.002% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  27.25 +/- 1.16   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.85, residual support = 86.8:
          HG2   GLU-  36 - HN    GLU-  36   3.33 +/- 0.49  99.989% * 99.4345% (0.97   4.85  86.76) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  16.51 +/- 1.33   0.010% *  0.3404% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  24.55 +/- 0.77   0.001% *  0.1595% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  29.74 +/- 2.22   0.000% *  0.0656% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.8:
      O   QB    GLU-  36 - HN    GLU-  36   2.13 +/- 0.08  99.938% * 99.6951% (0.90  10.0   7.31  86.76) = 100.000%  kept
          HG3   GLU- 100 - HN    GLU-  36   8.40 +/- 1.42   0.045% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  36   9.58 +/- 0.59   0.013% *  0.0674% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  11.73 +/- 0.61   0.004% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  22.66 +/- 1.65   0.000% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.78 +/- 0.48   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  30.94 +/- 1.74   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.85, residual support = 86.8:
          HG3   GLU-  36 - HN    GLU-  36   3.93 +/- 0.39  99.681% * 97.3204% (0.65   4.85  86.76) =  99.999%  kept
          QG    GLU-  15 - HN    GLU-  36  11.91 +/- 1.20   0.188% *  0.2783% (0.45   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLU-  36  18.00 +/- 3.53   0.028% *  0.5567% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  15.08 +/- 1.66   0.051% *  0.1916% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  15.44 +/- 0.70   0.032% *  0.1548% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  18.24 +/- 0.93   0.012% *  0.2117% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  22.91 +/- 1.27   0.003% *  0.3021% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  24.59 +/- 1.68   0.002% *  0.3514% (0.57   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  29.94 +/- 1.08   0.001% *  0.4015% (0.65   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  26.95 +/- 1.96   0.001% *  0.1228% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  31.85 +/- 1.32   0.000% *  0.1087% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.223, support = 0.0199, residual support = 0.0199:
          HA2   GLY  101 - HD22  ASN   35   6.92 +/- 2.59  97.367% * 14.8773% (0.20   0.02   0.02) =  92.820%  kept
          HB2   TRP   27 - HD22  ASN   35  15.12 +/- 1.34   2.533% * 42.5614% (0.57   0.02   0.02) =   6.907%  kept
          HD2   PRO   93 - HD22  ASN   35  27.46 +/- 2.15   0.100% * 42.5614% (0.57   0.02   0.02) =   0.273%
    Distance limit 4.77 A violated in 13 structures by 2.41 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   3.66 +/- 0.22  99.642% * 99.5004% (0.76  10.0   3.60  55.47) = 100.000%  kept
          QE    LYS+  33 - HD22  ASN   35  10.56 +/- 0.95   0.240% *  0.0995% (0.76   1.0   0.02   1.16) =   0.000%
          HB2   ASN   28 - HD22  ASN   35  12.15 +/- 1.14   0.107% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD22  ASN   35  20.90 +/- 4.66   0.009% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  24.74 +/- 1.64   0.001% *  0.1256% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  28.10 +/- 1.84   0.001% *  0.0325% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 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   3.99 +/- 0.53  95.856% * 54.9488% (0.76   1.61   6.45) =  97.585%  kept
          HA    LYS+  33 - HD21  ASN   35   7.17 +/- 0.45   3.248% * 39.9468% (0.69   1.30   1.16) =   2.403%  kept
          HA    GLU-  29 - HD21  ASN   35   9.00 +/- 0.61   0.784% *  0.7469% (0.83   0.02   0.02) =   0.011%
          HA    VAL   70 - HD21  ASN   35  13.55 +/- 1.40   0.092% *  0.3356% (0.38   0.02   0.02) =   0.001%
          HA    VAL   18 - HD21  ASN   35  18.30 +/- 1.41   0.013% *  0.7757% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  23.05 +/- 4.01   0.004% *  0.8254% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  25.92 +/- 3.10   0.002% *  0.7160% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  29.27 +/- 1.64   0.001% *  0.8630% (0.96   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  26.76 +/- 2.52   0.001% *  0.3356% (0.38   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  31.09 +/- 2.17   0.001% *  0.5063% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.54 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   2.57 +/- 0.44  99.835% * 99.3188% (0.61  10.0   3.60  55.47) = 100.000%  kept
          QE    LYS+  33 - HD21  ASN   35   9.32 +/- 1.03   0.121% *  0.1469% (0.90   1.0   0.02   1.16) =   0.000%
          HB2   ASN   28 - HD21  ASN   35  10.80 +/- 0.92   0.042% *  0.1580% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  20.33 +/- 4.40   0.002% *  0.1512% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  23.99 +/- 1.70   0.000% *  0.1637% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  27.01 +/- 1.56   0.000% *  0.0615% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.646, support = 4.14, residual support = 44.1:
      O   HA    GLN   32 - HN    GLN   32   2.73 +/- 0.03  78.812% * 77.4593% (0.65  10.0   4.15  44.40) =  99.132%  kept
          HA    LYS+  33 - HN    GLN   32   5.26 +/- 0.08   1.573% * 20.9014% (0.80   1.0   4.36  11.45) =   0.534%  kept
          HA    GLU-  29 - HN    GLN   32   3.46 +/- 0.16  19.604% *  1.0488% (0.92   1.0   0.19   0.02) =   0.334%
          HA    VAL   18 - HN    GLN   32  14.52 +/- 0.83   0.004% *  0.1133% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   32  13.22 +/- 0.85   0.007% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  18.61 +/- 4.03   0.001% *  0.1174% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  23.05 +/- 2.91   0.000% *  0.0822% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  24.58 +/- 0.94   0.000% *  0.1074% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  26.06 +/- 1.74   0.000% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.60 +/- 1.52   0.000% *  0.0537% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 5.61, residual support = 149.9:
      O   HA    LYS+  33 - HN    LYS+  33   2.83 +/- 0.04  95.279% * 99.4322% (0.87  10.0   5.61 149.95) =  99.996%  kept
          HA    GLU-  29 - HN    LYS+  33   4.92 +/- 0.60   4.466% *  0.0832% (0.73   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    LYS+  33   8.03 +/- 0.62   0.216% *  0.0558% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  33  11.66 +/- 0.94   0.023% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  13.38 +/- 0.84   0.009% *  0.0787% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  15.53 +/- 1.37   0.004% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  20.64 +/- 3.77   0.001% *  0.0695% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  25.72 +/- 1.75   0.000% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  25.25 +/- 0.83   0.000% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.386, support = 3.83, residual support = 24.5:
      O   HA    ASN   28 - HN    GLU-  29   3.65 +/- 0.01  31.456% * 72.6232% (0.18  10.0   5.11  35.16) =  68.448%  kept
          HA    THR   26 - HN    GLU-  29   3.43 +/- 0.16  46.638% * 19.3550% (0.95   1.0   0.99   1.43) =  27.047%  kept
          HA    GLU-  25 - HN    GLU-  29   3.94 +/- 0.30  21.834% *  6.8863% (0.22   1.0   1.49   0.02) =   4.505%  kept
          HA    ALA   34 - HN    GLU-  29  11.23 +/- 0.34   0.037% *  0.1280% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  29  12.42 +/- 0.65   0.021% *  0.1705% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  15.38 +/- 3.23   0.012% *  0.2018% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  23.95 +/- 1.26   0.000% *  0.2848% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  28.58 +/- 1.04   0.000% *  0.2683% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  24.99 +/- 1.38   0.000% *  0.0821% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 4.36, residual support = 105.8:
      O   HB2   ASN   28 - HD22  ASN   28   3.67 +/- 0.26  99.384% * 99.6000% (0.95  10.0   4.36 105.79) =  99.999%  kept
          HB2   ASP-  86 - HD22  ASN   28  10.94 +/- 4.00   0.381% *  0.0996% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   28  11.69 +/- 1.51   0.132% *  0.0913% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD22  ASN   28  12.17 +/- 0.87   0.083% *  0.0681% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  16.12 +/- 1.20   0.017% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  21.73 +/- 1.34   0.003% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.06, residual support = 154.1:
      O   HG2   GLN   30 - HE21  GLN   30   3.80 +/- 0.20  99.711% * 99.8337% (0.61  10.0   4.06 154.11) = 100.000%  kept
          HB3   ASN   28 - HE21  GLN   30  10.39 +/- 0.80   0.282% *  0.1375% (0.84   1.0   0.02   8.21) =   0.000%
          QE    LYS+ 121 - HE21  GLN   30  19.46 +/- 1.87   0.007% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.03, residual support = 154.1:
      O   HG2   GLN   30 - HE22  GLN   30   3.16 +/- 0.52  99.764% * 99.8337% (0.61  10.0   4.03 154.11) = 100.000%  kept
          HB3   ASN   28 - HE22  GLN   30   9.30 +/- 0.58   0.230% *  0.1375% (0.84   1.0   0.02   8.21) =   0.000%
          QE    LYS+ 121 - HE22  GLN   30  19.32 +/- 1.88   0.006% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.18, residual support = 105.8:
      O   HB3   ASN   28 - HD22  ASN   28   3.55 +/- 0.50  99.191% * 99.7665% (0.90  10.0   4.18 105.79) =  99.999%  kept
          HG2   GLN   30 - HD22  ASN   28   7.98 +/- 0.97   0.802% *  0.1110% (1.00   1.0   0.02   8.21) =   0.001%
          QE    LYS+ 121 - HD22  ASN   28  21.38 +/- 1.77   0.004% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  21.98 +/- 2.31   0.003% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 1.62, residual support = 13.0:
          QG2   VAL   24 - HD22  ASN   28   2.83 +/- 0.83  99.993% * 97.8802% (0.97   1.62  13.04) = 100.000%  kept
          QG1   VAL  107 - HD22  ASN   28  16.97 +/- 1.03   0.005% *  0.4705% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HD22  ASN   28  20.32 +/- 1.48   0.002% *  1.0874% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  27.62 +/- 2.32   0.000% *  0.5620% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.94, residual support = 93.6:
      O   HA    GLU-  29 - HN    GLU-  29   2.72 +/- 0.02  99.664% * 99.3483% (0.84  10.0   5.94  93.61) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.10 +/- 0.68   0.079% *  0.1125% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.46 +/- 0.25   0.239% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  14.75 +/- 3.71   0.007% *  0.0864% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  14.82 +/- 0.60   0.004% *  0.0952% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  16.41 +/- 0.77   0.002% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  14.50 +/- 0.69   0.005% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  21.94 +/- 0.88   0.000% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  20.85 +/- 2.39   0.001% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  27.56 +/- 1.70   0.000% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.93, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.83, residual support = 35.2:
          HB2   ASN   28 - HN    GLU-  29   2.28 +/- 0.09  99.902% * 98.6656% (0.97   5.83  35.16) = 100.000%  kept
          QE    LYS+  33 - HN    GLU-  29   8.44 +/- 1.66   0.085% *  0.3148% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  29  10.63 +/- 0.61   0.011% *  0.2129% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  15.51 +/- 3.47   0.002% *  0.3240% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  21.67 +/- 1.53   0.000% *  0.3510% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  18.59 +/- 1.07   0.000% *  0.1317% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.667, support = 5.65, residual support = 33.8:
          HB3   ASN   28 - HN    GLU-  29   3.49 +/- 0.30  91.533% * 48.2090% (0.65   5.76  35.16) =  91.029%  kept
          HG2   GLN   30 - HN    GLU-  29   5.40 +/- 0.37   8.465% * 51.3786% (0.87   4.58  19.48) =   8.971%  kept
          QE    LYS+ 121 - HN    GLU-  29  23.34 +/- 1.83   0.001% *  0.2449% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  23.22 +/- 2.11   0.001% *  0.1675% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 5.44, residual support = 93.6:
          HG2   GLU-  29 - HN    GLU-  29   2.87 +/- 0.37  98.411% * 97.7742% (0.57   5.44  93.61) =  99.997%  kept
          QG    GLN   32 - HN    GLU-  29   6.59 +/- 0.99   1.574% *  0.1765% (0.28   0.02   0.02) =   0.003%
          HB3   PHE   45 - HN    GLU-  29  16.16 +/- 0.57   0.004% *  0.6291% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    GLU-  29  15.35 +/- 3.45   0.010% *  0.2609% (0.41   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  21.75 +/- 0.75   0.001% *  0.5302% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  26.55 +/- 2.66   0.000% *  0.6291% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.628, support = 3.46, residual support = 7.1:
          HA    ASN   28 - HN    GLN   30   3.81 +/- 0.14  50.846% * 56.6976% (0.45   4.50   8.21) =  65.259%  kept
          HA    THR   26 - HN    GLN   30   4.04 +/- 0.25  37.231% * 41.2072% (0.97   1.52   5.01) =  34.730%  kept
          HA1   GLY  101 - HN    LYS+  99   5.12 +/- 0.64  11.198% *  0.0308% (0.05   0.02   1.41) =   0.008%
          HA    ALA   34 - HN    GLN   30   8.98 +/- 0.42   0.312% *  0.3636% (0.65   0.02   0.40) =   0.003%
          HA1   GLY  101 - HN    GLN   30  14.20 +/- 3.17   0.047% *  0.4695% (0.84   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    GLN   30  10.30 +/- 0.59   0.137% *  0.0867% (0.15   0.02  14.95) =   0.000%
          HA    ALA   34 - HN    LYS+  99   9.82 +/- 0.40   0.178% *  0.0239% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  13.66 +/- 1.23   0.028% *  0.0166% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  23.11 +/- 1.39   0.001% *  0.2736% (0.49   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  22.62 +/- 1.18   0.001% *  0.1917% (0.34   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  26.81 +/- 1.05   0.000% *  0.5317% (0.95   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  18.31 +/- 1.46   0.005% *  0.0349% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.61 +/- 1.90   0.009% *  0.0180% (0.03   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  18.77 +/- 0.83   0.004% *  0.0356% (0.06   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  18.60 +/- 0.61   0.004% *  0.0057% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.71 +/- 1.43   0.001% *  0.0126% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 5.42, residual support = 19.5:
      O   HA    GLU-  29 - HN    GLN   30   3.50 +/- 0.01  96.407% * 99.3278% (1.00  10.0   5.42  19.48) =  99.998%  kept
          HA    LYS+  33 - HN    GLN   30   7.54 +/- 0.48   1.058% *  0.0976% (0.98   1.0   0.02   0.16) =   0.001%
          HA    GLN   32 - HN    GLN   30   6.70 +/- 0.14   1.988% *  0.0374% (0.38   1.0   0.02   1.58) =   0.001%
          HA    VAL   18 - HN    GLN   30  12.39 +/- 0.65   0.052% *  0.0987% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  13.79 +/- 0.78   0.028% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  16.07 +/- 3.62   0.017% *  0.0961% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99   9.76 +/- 0.53   0.220% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  12.30 +/- 0.70   0.055% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  13.79 +/- 0.55   0.027% *  0.0064% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  12.09 +/- 0.92   0.066% *  0.0025% (0.02   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  21.27 +/- 0.82   0.002% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  21.32 +/- 2.44   0.002% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  15.98 +/- 0.89   0.011% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  16.65 +/- 0.67   0.009% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  25.41 +/- 1.70   0.001% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.48 +/- 0.41   0.048% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  18.25 +/- 1.79   0.006% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.03 +/- 1.30   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  24.73 +/- 3.44   0.001% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  23.83 +/- 2.73   0.001% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  26.95 +/- 0.89   0.000% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  26.41 +/- 1.29   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 154.1:
      O   HA    GLN   30 - HN    GLN   30   2.83 +/- 0.02  99.839% * 99.5516% (0.92  10.0   6.22 154.11) = 100.000%  kept
          HB    THR   39 - HN    GLN   30  10.75 +/- 0.85   0.037% *  0.0483% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   30  10.90 +/- 0.54   0.032% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  15.43 +/- 3.90   0.007% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  16.76 +/- 2.10   0.004% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99   9.83 +/- 0.39   0.058% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.60 +/- 0.74   0.006% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  12.44 +/- 0.58   0.014% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  20.42 +/- 2.18   0.001% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  22.20 +/- 1.13   0.000% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  26.54 +/- 1.43   0.000% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  23.58 +/- 3.78   0.000% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.96 +/- 2.17   0.001% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  21.75 +/- 2.08   0.001% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  24.07 +/- 1.12   0.000% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  27.66 +/- 1.25   0.000% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.995, support = 6.89, residual support = 149.6:
          HG2   GLN   30 - HN    GLN   30   3.27 +/- 0.32  92.153% * 71.6572% (1.00   7.01 154.11) =  96.929%  kept
          HB3   ASN   28 - HN    GLN   30   5.08 +/- 0.12   7.450% * 28.0769% (0.90   3.06   8.21) =   3.070%  kept
          QE    LYS+ 121 - HN    LYS+  99  11.18 +/- 2.33   0.286% *  0.0098% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  12.12 +/- 2.30   0.087% *  0.0050% (0.02   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  21.57 +/- 1.81   0.002% *  0.1487% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  20.81 +/- 2.08   0.002% *  0.0769% (0.38   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  15.23 +/- 1.19   0.012% *  0.0121% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  16.05 +/- 0.91   0.008% *  0.0134% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.54, residual support = 154.1:
      O   HB3   GLN   30 - HN    GLN   30   2.47 +/- 0.51  96.706% * 98.7410% (0.69  10.0   6.54 154.11) =  99.998%  kept
          QB    LYS+  33 - HN    GLN   30   5.56 +/- 0.80   2.142% *  0.1044% (0.73   1.0   0.02   0.16) =   0.002%
          HB    ILE  103 - HN    LYS+  99   6.12 +/- 0.31   0.866% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.76 +/- 0.69   0.123% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.17 +/- 0.54   0.069% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.46 +/- 0.52   0.054% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  15.39 +/- 0.38   0.003% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  16.36 +/- 0.91   0.002% *  0.1289% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  16.65 +/- 1.85   0.002% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  17.21 +/- 0.96   0.002% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.49 +/- 0.47   0.011% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.89 +/- 1.15   0.011% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.66 +/- 0.94   0.001% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  20.46 +/- 1.15   0.001% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  22.88 +/- 1.47   0.000% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  23.29 +/- 1.59   0.000% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  15.64 +/- 1.92   0.006% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  22.18 +/- 1.33   0.000% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  24.89 +/- 1.95   0.000% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  24.50 +/- 1.48   0.000% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  20.90 +/- 1.05   0.001% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.35 +/- 0.55   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  23.74 +/- 1.79   0.000% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  23.41 +/- 1.09   0.000% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  25.99 +/- 1.15   0.000% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  27.12 +/- 1.18   0.000% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.812, support = 5.39, residual support = 44.9:
          HG    LEU   31 - HN    GLN   30   5.05 +/- 0.90  24.131% * 86.5273% (0.80   5.88  49.08) =  90.439%  kept
          QD2   LEU   73 - HN    GLN   30   5.79 +/- 1.00  17.313% * 12.7210% (0.92   0.75   5.33) =   9.540%  kept
          QG1   VAL   41 - HN    LYS+  99   4.16 +/- 0.81  56.490% *  0.0060% (0.02   0.02   0.02) =   0.015%
          QG1   VAL   41 - HN    GLN   30   8.09 +/- 0.67   1.456% *  0.0916% (0.25   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    LYS+  99  10.62 +/- 1.53   0.275% *  0.0193% (0.05   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LYS+  99  11.05 +/- 0.63   0.145% *  0.0223% (0.06   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  18.91 +/- 1.45   0.009% *  0.3667% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  11.57 +/- 1.63   0.164% *  0.0137% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  23.54 +/- 1.14   0.002% *  0.2081% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  16.69 +/- 0.73   0.014% *  0.0241% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 5.01:
          QG2   THR   26 - HN    GLN   30   4.31 +/- 0.33  90.155% * 94.2903% (0.73   2.00   5.01) =  99.989%  kept
          HB3   LEU   40 - HN    LYS+  99   6.97 +/- 1.01   9.073% *  0.0619% (0.05   0.02  12.50) =   0.007%
          HB2   LYS+  74 - HN    GLN   30  12.17 +/- 0.57   0.209% *  1.2283% (0.95   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    GLN   30  13.96 +/- 0.62   0.090% *  0.9429% (0.73   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+  99  12.77 +/- 2.15   0.244% *  0.0483% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLN   30  19.75 +/- 1.41   0.012% *  0.8400% (0.65   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  14.34 +/- 1.26   0.085% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  22.67 +/- 1.22   0.005% *  0.6320% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  23.75 +/- 1.77   0.004% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  15.62 +/- 0.82   0.043% *  0.0619% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  24.40 +/- 2.12   0.004% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  21.06 +/- 0.96   0.008% *  0.2891% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  18.45 +/- 0.63   0.016% *  0.0807% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  19.18 +/- 2.20   0.015% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  17.11 +/- 1.18   0.028% *  0.0190% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  20.32 +/- 1.16   0.010% *  0.0552% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.396, support = 6.29, residual support = 154.1:
      O   HB2   GLN   30 - HN    GLN   30   3.11 +/- 0.60  63.446% * 87.8384% (0.41  10.0   6.32 154.11) =  93.544%  kept
          HG3   GLN   30 - HN    GLN   30   3.61 +/- 0.43  34.975% * 10.9968% (0.18   1.0   5.88 154.11) =   6.456%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.15 +/- 0.60   1.535% *  0.0048% (0.02   1.0   0.02  38.17) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  15.31 +/- 1.37   0.006% *  0.1124% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  15.37 +/- 1.17   0.005% *  0.0729% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  22.21 +/- 4.25   0.002% *  0.1210% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  20.33 +/- 0.89   0.001% *  0.2062% (0.97   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  21.12 +/- 1.41   0.001% *  0.1382% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  13.56 +/- 0.76   0.012% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.40 +/- 0.55   0.005% *  0.0091% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  26.18 +/- 1.93   0.000% *  0.1551% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  24.33 +/- 1.68   0.000% *  0.0878% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  25.06 +/- 1.00   0.000% *  0.0958% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  25.62 +/- 2.15   0.000% *  0.0958% (0.45   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  16.78 +/- 1.85   0.003% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.44 +/- 0.70   0.001% *  0.0135% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  15.76 +/- 0.92   0.005% *  0.0025% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  22.66 +/- 1.60   0.001% *  0.0074% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  23.02 +/- 1.08   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.56 +/- 1.09   0.000% *  0.0102% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.92 +/- 3.62   0.000% *  0.0079% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  25.89 +/- 2.23   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.919, support = 4.79, residual support = 19.5:
          HB3   GLU-  29 - HN    GLN   30   3.91 +/- 0.15  78.226% * 42.8678% (0.90   4.55  19.48) =  73.952%  kept
          HG3   GLU-  29 - HN    GLN   30   4.96 +/- 0.49  20.906% * 56.4944% (0.98   5.48  19.48) =  26.046%  kept
          QB    GLU-  36 - HN    GLN   30   8.97 +/- 0.43   0.548% *  0.1275% (0.61   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    GLN   30  13.64 +/- 1.60   0.052% *  0.1106% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   30  15.02 +/- 0.37   0.024% *  0.1275% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99  10.88 +/- 0.49   0.170% *  0.0084% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.09 +/- 0.51   0.056% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  23.43 +/- 1.74   0.002% *  0.2084% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  17.73 +/- 0.77   0.009% *  0.0124% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.04 +/- 0.98   0.006% *  0.0135% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  23.48 +/- 1.43   0.002% *  0.0073% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  26.29 +/- 1.30   0.001% *  0.0137% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.35 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.25, residual support = 93.6:
      O   HB2   GLU-  29 - HN    GLU-  29   2.30 +/- 0.11  99.995% * 99.4303% (0.76  10.0   5.25  93.61) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  14.95 +/- 0.99   0.001% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  16.47 +/- 1.51   0.001% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  13.98 +/- 0.85   0.002% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  22.45 +/- 0.82   0.000% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  24.66 +/- 1.20   0.000% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  20.15 +/- 1.78   0.000% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  24.34 +/- 1.53   0.000% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.823, support = 5.92, residual support = 93.6:
          HG3   GLU-  29 - HN    GLU-  29   2.97 +/- 0.16  71.130% * 31.8984% (0.97   1.0   6.30  93.61) =  55.399%  kept
      O   HB3   GLU-  29 - HN    GLU-  29   3.51 +/- 0.05  26.924% * 67.8439% (0.65  10.0   5.46  93.61) =  44.600%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.60 +/- 0.46   1.880% *  0.0142% (0.14   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  29  10.04 +/- 0.62   0.053% *  0.0358% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  13.42 +/- 1.44   0.010% *  0.0292% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.88 +/- 0.30   0.002% *  0.0910% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  23.38 +/- 1.72   0.000% *  0.0876% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.942, support = 3.04, residual support = 154.1:
      O   HG3   GLN   30 - HE21  GLN   30   3.86 +/- 0.47  31.311% * 85.7676% (0.99  10.0   2.72 154.11) =  74.134%  kept
          HB2   GLN   30 - HE21  GLN   30   3.35 +/- 0.57  68.180% * 13.7426% (0.80   1.0   3.97 154.11) =  25.866%  kept
          QB    GLU-  15 - HE21  GLN   30   9.38 +/- 1.67   0.307% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HE21  GLN   30  10.29 +/- 1.03   0.122% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  15.43 +/- 2.34   0.018% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  11.84 +/- 0.85   0.042% *  0.0267% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  15.56 +/- 1.49   0.011% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  20.66 +/- 2.04   0.003% *  0.0693% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  20.13 +/- 1.46   0.002% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  18.08 +/- 1.60   0.004% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  23.16 +/- 2.28   0.001% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  25.91 +/- 1.51   0.000% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.321, support = 2.1, residual support = 14.9:
          QD1   ILE   19 - HE21  GLN   30   3.12 +/- 0.79  39.747% * 69.2621% (0.41   2.13  14.95) =  61.872%  kept
          QG2   ILE   19 - HE21  GLN   30   2.79 +/- 0.78  60.189% * 28.1852% (0.18   2.04  14.95) =  38.127%  kept
          QD1   LEU   98 - HE21  GLN   30  11.12 +/- 1.29   0.041% *  1.4155% (0.90   0.02   0.02) =   0.001%
          QD2   LEU  104 - HE21  GLN   30  14.89 +/- 1.57   0.007% *  0.8936% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HE21  GLN   30  11.62 +/- 1.36   0.015% *  0.2435% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.293, support = 2.18, residual support = 14.9:
          QG2   ILE   19 - HE22  GLN   30   3.18 +/- 0.58  71.075% * 28.2587% (0.18   2.13  14.95) =  50.192%  kept
          QD1   ILE   19 - HE22  GLN   30   3.83 +/- 0.42  28.759% * 69.2964% (0.41   2.23  14.95) =  49.803%  kept
          QD1   LEU   98 - HE22  GLN   30  10.54 +/- 1.47   0.111% *  1.3557% (0.90   0.02   0.02) =   0.004%
          QD2   LEU  104 - HE22  GLN   30  14.63 +/- 1.32   0.016% *  0.8559% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HE22  GLN   30  11.33 +/- 1.25   0.039% *  0.2332% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.93, residual support = 45.5:
      O   HA    LEU   31 - HN    GLN   32   3.59 +/- 0.03  99.994% * 99.9819% (0.97  10.0   5.93  45.51) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  18.21 +/- 1.02   0.006% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 4.21, residual support = 44.4:
          QG    GLN   32 - HN    GLN   32   3.50 +/- 0.63  99.906% * 98.8523% (0.99   4.21  44.40) = 100.000%  kept
          QG    GLU-  79 - HN    GLN   32  15.57 +/- 1.39   0.022% *  0.3796% (0.80   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN   32  12.97 +/- 1.04   0.057% *  0.1056% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  17.62 +/- 0.97   0.009% *  0.1318% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  20.61 +/- 0.79   0.003% *  0.3257% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  26.23 +/- 2.74   0.001% *  0.1318% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  28.46 +/- 1.60   0.001% *  0.0732% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.21, residual support = 44.4:
      O   QB    GLN   32 - HN    GLN   32   2.16 +/- 0.12  99.990% * 99.6924% (0.90  10.0   4.21  44.40) = 100.000%  kept
          HB    VAL   24 - HN    GLN   32  11.79 +/- 0.46   0.005% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   32  12.03 +/- 1.19   0.004% *  0.1090% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  19.74 +/- 1.14   0.000% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  17.19 +/- 1.71   0.000% *  0.0172% (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 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.712, support = 3.0, residual support = 5.06:
          HB3   GLN   30 - HN    GLN   32   5.20 +/- 0.22  37.032% * 73.5597% (0.99   2.47   1.58) =  64.774%  kept
          QB    LYS+  33 - HN    GLN   32   4.74 +/- 0.38  62.690% * 23.6294% (0.20   3.97  11.45) =  35.224%  kept
          HB3   LYS+  38 - HN    GLN   32  12.57 +/- 0.17   0.180% *  0.5397% (0.90   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    GLN   32  16.26 +/- 1.03   0.040% *  0.2053% (0.34   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  22.97 +/- 4.63   0.029% *  0.1340% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  19.26 +/- 2.16   0.016% *  0.1857% (0.31   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  23.97 +/- 1.55   0.004% *  0.5965% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  24.75 +/- 1.44   0.003% *  0.4599% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  26.50 +/- 1.13   0.002% *  0.5397% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  25.54 +/- 1.85   0.003% *  0.1501% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 45.5:
          HB2   LEU   31 - HN    GLN   32   2.78 +/- 0.19  99.928% * 97.3730% (0.98   5.93  45.51) = 100.000%  kept
          HG    LEU   98 - HN    GLN   32  11.41 +/- 1.26   0.028% *  0.2168% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLN   32  11.48 +/- 0.63   0.024% *  0.2032% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  13.98 +/- 0.81   0.007% *  0.2433% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  15.62 +/- 3.25   0.005% *  0.3343% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  16.27 +/- 1.16   0.003% *  0.3005% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  16.95 +/- 2.05   0.002% *  0.1763% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  19.41 +/- 0.99   0.001% *  0.3234% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  22.18 +/- 2.40   0.001% *  0.2561% (0.76   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  20.18 +/- 2.50   0.001% *  0.0932% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  22.33 +/- 1.03   0.000% *  0.1631% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  29.23 +/- 1.81   0.000% *  0.3170% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 45.5:
          HB3   LEU   31 - HN    GLN   32   3.83 +/- 0.18  99.404% * 98.9137% (0.98   5.93  45.51) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32   9.58 +/- 0.74   0.505% *  0.1927% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  12.76 +/- 0.43   0.078% *  0.1791% (0.53   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  18.27 +/- 0.70   0.009% *  0.0849% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  23.53 +/- 1.90   0.002% *  0.3285% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  23.47 +/- 1.59   0.002% *  0.0674% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  30.03 +/- 2.48   0.000% *  0.2338% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.33, residual support = 11.5:
          QG    GLN   32 - HN    LYS+  33   4.26 +/- 0.18  99.942% * 98.6361% (0.84   4.33  11.45) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  16.52 +/- 1.36   0.034% *  0.2869% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  18.76 +/- 0.88   0.015% *  0.2869% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  20.93 +/- 0.70   0.007% *  0.5033% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  26.21 +/- 2.91   0.002% *  0.2869% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 11.5:
          QB    GLN   32 - HN    LYS+  33   2.90 +/- 0.06  99.944% * 98.5155% (1.00   4.33  11.45) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  11.25 +/- 1.14   0.036% *  0.3641% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  13.73 +/- 0.40   0.009% *  0.4506% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  17.79 +/- 1.31   0.002% *  0.4197% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  14.53 +/- 1.58   0.008% *  0.0702% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  26.55 +/- 0.77   0.000% *  0.0900% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  28.77 +/- 2.13   0.000% *  0.0900% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 149.9:
      O   QB    LYS+  33 - HN    LYS+  33   2.36 +/- 0.33  99.141% * 99.1015% (0.97  10.0   5.76 149.95) = 100.000%  kept
          HB3   GLN   30 - HN    LYS+  33   5.43 +/- 0.27   0.843% *  0.0385% (0.38   1.0   0.02   0.16) =   0.000%
          HB3   LYS+  38 - HN    LYS+  33  11.05 +/- 0.25   0.013% *  0.0581% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.00 +/- 0.96   0.001% *  0.1025% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  16.67 +/- 0.74   0.001% *  0.0858% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  18.56 +/- 1.11   0.001% *  0.0822% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.15 +/- 0.88   0.000% *  0.0921% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  20.83 +/- 1.94   0.000% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  24.93 +/- 1.41   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  27.19 +/- 1.77   0.000% *  0.1018% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  27.97 +/- 1.90   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  25.17 +/- 1.43   0.000% *  0.0256% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  25.13 +/- 2.76   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  25.90 +/- 1.11   0.000% *  0.0139% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  28.69 +/- 1.50   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 4.33, residual support = 149.9:
          HG2   LYS+  33 - HN    LYS+  33   3.39 +/- 0.51  99.993% * 98.5812% (0.61   4.33 149.95) = 100.000%  kept
          HG2   LYS+ 106 - HN    LYS+  33  19.09 +/- 1.16   0.004% *  0.7252% (0.97   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LYS+  33  20.47 +/- 1.49   0.003% *  0.6936% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.371, support = 5.33, residual support = 144.5:
          HG3   LYS+  33 - HN    LYS+  33   2.96 +/- 1.15  86.022% * 75.5534% (0.38   5.46 149.95) =  96.376%  kept
          HB2   LEU   31 - HN    LYS+  33   4.94 +/- 0.13  13.495% * 18.0967% (0.25   1.97   0.56) =   3.621%  kept
          HB3   LEU   73 - HN    LYS+  33   9.98 +/- 0.74   0.239% *  0.3881% (0.53   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LYS+  33  12.06 +/- 1.17   0.075% *  0.6398% (0.87   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  33  11.35 +/- 0.78   0.111% *  0.3307% (0.45   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LYS+  33  16.51 +/- 1.13   0.012% *  0.4474% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  15.94 +/- 2.00   0.013% *  0.4176% (0.57   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  18.40 +/- 1.94   0.006% *  0.6977% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  17.36 +/- 3.16   0.011% *  0.2768% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  19.06 +/- 1.10   0.004% *  0.5637% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  21.06 +/- 2.51   0.004% *  0.5637% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  18.72 +/- 1.00   0.005% *  0.3590% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  22.92 +/- 0.97   0.001% *  0.7118% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  21.20 +/- 1.06   0.002% *  0.3307% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  30.61 +/- 2.08   0.000% *  0.4771% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  29.84 +/- 1.73   0.000% *  0.1460% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.562, residual support = 0.562:
          QD2   LEU   31 - HN    LYS+  33   4.86 +/- 0.09  99.732% * 90.3720% (0.65   0.56   0.56) =  99.985%  kept
          QG2   VAL   83 - HN    LYS+  33  14.40 +/- 3.03   0.221% *  4.9263% (0.99   0.02   0.02) =   0.012%
          QD1   ILE   89 - HN    LYS+  33  18.36 +/- 2.47   0.047% *  4.7017% (0.95   0.02   0.02) =   0.002%
    Distance limit 4.54 A violated in 0 structures by 0.31 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 = 0.695, support = 2.0, residual support = 3.65:
          HA    LYS+  33 - HN    ASN   35   3.85 +/- 0.11  33.743% * 65.2007% (0.98   1.82   1.16) =  52.905%  kept
          HA    GLN   32 - HN    ASN   35   3.45 +/- 0.12  64.271% * 30.4633% (0.38   2.22   6.45) =  47.082%  kept
          HA    GLU-  29 - HN    ASN   35   7.98 +/- 0.27   0.419% *  0.7311% (1.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HN    ASN   35   6.59 +/- 0.40   1.471% *  0.1131% (0.15   0.02   0.02) =   0.004%
          HA    VAL   70 - HN    ASN   35  10.63 +/- 0.85   0.085% *  0.5600% (0.76   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ASN   35  15.07 +/- 0.80   0.010% *  0.7263% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  23.01 +/- 3.76   0.001% *  0.7072% (0.97   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  25.12 +/- 1.91   0.000% *  0.5600% (0.76   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  27.55 +/- 0.64   0.000% *  0.4740% (0.65   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  26.28 +/- 2.80   0.000% *  0.3012% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  29.79 +/- 1.30   0.000% *  0.1631% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.80 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  97.347% * 98.5307% (0.97   3.97  51.91) =  99.997%  kept
          HA    ASN   28 - HN    ASN   35   8.99 +/- 0.31   2.620% *  0.1017% (0.20   0.02   0.02) =   0.003%
          HA    ALA  124 - HN    ASN   35  22.76 +/- 2.74   0.015% *  0.4116% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASN   35  24.20 +/- 2.08   0.008% *  0.5129% (1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   35  28.20 +/- 1.48   0.003% *  0.3531% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   35  23.58 +/- 1.80   0.008% *  0.0900% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 3 structures by 0.88 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 5.87, residual support = 55.5:
      O   HB2   ASN   35 - HN    ASN   35   2.53 +/- 0.51  99.114% * 98.5351% (0.31  10.0   5.87  55.47) =  99.997%  kept
          QE    LYS+  33 - HN    ASN   35   6.37 +/- 0.69   0.832% *  0.3185% (1.00   1.0   0.02   1.16) =   0.003%
          HB2   ASN   28 - HN    ASN   35  10.52 +/- 0.49   0.040% *  0.3081% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  12.73 +/- 1.47   0.013% *  0.0559% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  20.85 +/- 4.20   0.001% *  0.2065% (0.65   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  21.09 +/- 1.02   0.001% *  0.2769% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  21.12 +/- 1.20   0.001% *  0.0796% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  25.68 +/- 1.02   0.000% *  0.2193% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 18.7:
          QB    ALA   34 - HN    ASN   35   2.91 +/- 0.07  98.529% * 97.9934% (0.92   3.31  18.74) =  99.996%  kept
          QG2   THR   39 - HN    ASN   35   6.82 +/- 0.81   1.037% *  0.1981% (0.31   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ASN   35   7.29 +/- 0.48   0.427% *  0.3634% (0.57   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ASN   35  15.78 +/- 0.55   0.004% *  0.6292% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  20.66 +/- 1.65   0.001% *  0.4906% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  18.37 +/- 0.64   0.002% *  0.1270% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  22.35 +/- 1.31   0.001% *  0.1981% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 3.77, residual support = 105.8:
      O   HB2   ASN   28 - HD21  ASN   28   3.59 +/- 0.54  99.235% * 99.6076% (0.97  10.0   3.77 105.79) =  99.999%  kept
          HB2   ASP-  86 - HD21  ASN   28  11.19 +/- 3.63   0.538% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD21  ASN   28  11.67 +/- 1.53   0.131% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  12.39 +/- 1.25   0.071% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  15.94 +/- 1.20   0.022% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  21.74 +/- 1.42   0.003% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.59, residual support = 105.8:
      O   HB3   ASN   28 - HD21  ASN   28   3.62 +/- 0.31  98.980% * 99.7665% (0.90  10.0   3.59 105.79) =  99.999%  kept
          HG2   GLN   30 - HD21  ASN   28   7.82 +/- 0.58   1.015% *  0.1110% (1.00   1.0   0.02   8.21) =   0.001%
          QE    LYS+ 121 - HD21  ASN   28  21.71 +/- 1.88   0.003% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  22.25 +/- 2.59   0.002% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.81, residual support = 13.0:
          QG2   VAL   24 - HD21  ASN   28   2.55 +/- 0.58  99.990% * 96.8366% (0.76   1.81  13.04) = 100.000%  kept
          QG2   VAL  108 - HD21  ASN   28  15.17 +/- 1.68   0.007% *  0.3482% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - HD21  ASN   28  20.49 +/- 1.68   0.001% *  1.2522% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  18.27 +/- 1.76   0.002% *  0.2154% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  27.84 +/- 2.32   0.000% *  1.3475% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1121 (4.49, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 52.4:
      O   HA    TRP   27 - HN    ASN   28   3.63 +/- 0.01  99.991% * 99.7755% (1.00  10.0   5.68  52.40) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  19.14 +/- 1.62   0.005% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  21.24 +/- 0.91   0.003% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  25.39 +/- 1.18   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.63, residual support = 13.0:
          HA    VAL   24 - HN    ASN   28   3.63 +/- 0.34  99.974% * 99.4534% (0.92   5.63  13.04) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.70 +/- 0.34   0.017% *  0.1573% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  19.10 +/- 1.18   0.006% *  0.1573% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  21.33 +/- 1.41   0.003% *  0.2320% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.59, residual support = 52.4:
          HB2   TRP   27 - HN    ASN   28   2.70 +/- 0.15  99.990% * 99.2749% (0.80   5.59  52.40) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  12.76 +/- 0.65   0.010% *  0.3702% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  21.12 +/- 0.65   0.000% *  0.3549% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 6.91, residual support = 105.8:
      O   HB2   ASN   28 - HN    ASN   28   2.65 +/- 0.22  99.907% * 99.6076% (0.97  10.0   6.91 105.79) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28  10.11 +/- 1.45   0.059% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  13.00 +/- 3.48   0.016% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  11.87 +/- 0.75   0.015% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  16.31 +/- 1.06   0.002% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  20.97 +/- 1.40   0.000% *  0.1032% (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 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 6.61, residual support = 105.8:
      O   HB3   ASN   28 - HN    ASN   28   3.52 +/- 0.01  95.511% * 99.7665% (0.90  10.0   6.61 105.79) =  99.995%  kept
          HG2   GLN   30 - HN    ASN   28   5.91 +/- 0.31   4.485% *  0.1110% (1.00   1.0   0.02   8.21) =   0.005%
          QE    LYS+ 121 - HN    ASN   28  22.23 +/- 1.74   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  22.27 +/- 2.21   0.002% *  0.0418% (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 = 0.417, support = 2.92, residual support = 25.0:
          HG3   GLU-  29 - HN    ASN   28   5.33 +/- 0.15  58.470% * 58.2412% (0.20   3.99  35.16) =  68.588%  kept
          HB2   GLU-  25 - HN    ASN   28   5.66 +/- 0.12  40.865% * 38.1534% (0.90   0.58   2.71) =  31.404%  kept
          HB2   MET   96 - HN    ASN   28  12.15 +/- 1.17   0.503% *  0.4557% (0.31   0.02   0.02) =   0.005%
          QG    GLN   17 - HN    ASN   28  16.62 +/- 1.36   0.074% *  1.1822% (0.80   0.02   0.02) =   0.002%
          HB    VAL   70 - HN    ASN   28  17.44 +/- 0.87   0.050% *  1.0721% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ASN   28  18.03 +/- 0.24   0.039% *  0.8955% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.56 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.488, support = 3.21, residual support = 13.0:
          QG2   VAL   24 - HN    ASN   28   3.64 +/- 0.37  74.794% * 50.0116% (0.45   3.45  13.04) =  75.231%  kept
          QG1   VAL   24 - HN    ASN   28   4.54 +/- 0.63  25.197% * 48.8756% (0.61   2.49  13.04) =  24.769%  kept
          QG1   VAL  107 - HN    ASN   28  17.85 +/- 0.94   0.005% *  0.5977% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  20.38 +/- 1.44   0.003% *  0.1998% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  28.49 +/- 2.34   0.000% *  0.3152% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 0.392, support = 3.02, residual support = 1.43:
          QD2   LEU   80 - HN    ASN   28   6.25 +/- 2.71  36.738% * 56.0607% (0.45   3.02   1.79) =  59.595%  kept
          QD1   LEU   73 - HN    ASN   28   5.37 +/- 0.72  49.829% * 22.8603% (0.15   3.58   1.12) =  32.961%  kept
          QG1   VAL   83 - HN    ASN   28   7.61 +/- 3.30  13.135% * 19.5741% (1.00   0.47   0.02) =   7.440%  kept
          QG2   ILE   89 - HN    ASN   28  13.56 +/- 1.26   0.163% *  0.4685% (0.57   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ASN   28  16.50 +/- 1.12   0.050% *  0.5685% (0.69   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ASN   28  15.84 +/- 1.07   0.065% *  0.1277% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  20.07 +/- 2.47   0.020% *  0.3402% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 3.08, residual support = 22.7:
          HA    VAL   24 - HN    TRP   27   3.15 +/- 0.12  99.983% * 99.0392% (0.99   3.08  22.72) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  17.14 +/- 0.41   0.004% *  0.4708% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  16.37 +/- 0.96   0.006% *  0.0794% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  17.78 +/- 1.28   0.004% *  0.1136% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  21.11 +/- 1.42   0.001% *  0.2001% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  19.73 +/- 0.89   0.002% *  0.0140% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  29.15 +/- 1.54   0.000% *  0.0582% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  27.26 +/- 1.76   0.000% *  0.0247% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.32, residual support = 106.6:
      O   HB2   TRP   27 - HN    TRP   27   2.19 +/- 0.11  99.839% * 99.8160% (0.99  10.0   5.32 106.57) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   7.38 +/- 0.45   0.079% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   7.76 +/- 0.94   0.076% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  11.68 +/- 0.59   0.005% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  20.54 +/- 0.79   0.000% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  16.97 +/- 1.10   0.001% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.64, residual support = 106.6:
      O   HB3   TRP   27 - HN    TRP   27   2.80 +/- 0.17  99.974% * 99.6559% (0.99  10.0   5.64 106.57) = 100.000%  kept
          HB2   PHE   97 - HN    TRP   27  18.12 +/- 1.11   0.002% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  16.67 +/- 1.26   0.003% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  18.54 +/- 1.86   0.002% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  18.10 +/- 0.89   0.002% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  14.80 +/- 1.83   0.007% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  16.58 +/- 1.24   0.003% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  19.07 +/- 0.40   0.001% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  18.25 +/- 1.80   0.002% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  15.26 +/- 0.92   0.004% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  19.31 +/- 1.22   0.001% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  24.07 +/- 1.16   0.000% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  22.19 +/- 2.29   0.001% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  29.72 +/- 1.49   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.39 +/- 0.70  99.924% * 96.3511% (0.53   0.75   1.50) =  99.999%  kept
          HG2   MET   96 - HN    TRP   27  14.57 +/- 1.58   0.034% *  2.9648% (0.61   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ALA   91  15.33 +/- 1.42   0.032% *  0.3663% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ALA   91  17.49 +/- 0.98   0.010% *  0.3178% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 22.2:
          QG2   THR   26 - HN    TRP   27   2.65 +/- 0.35  99.932% * 97.5840% (0.98   4.44  22.20) = 100.000%  kept
          HB2   LYS+  74 - HN    TRP   27  10.52 +/- 0.71   0.036% *  0.3591% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    TRP   27  13.08 +/- 0.61   0.009% *  0.0785% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  20.17 +/- 1.42   0.001% *  0.4474% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  16.83 +/- 0.85   0.002% *  0.0887% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  15.65 +/- 0.99   0.004% *  0.0444% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  22.08 +/- 1.11   0.000% *  0.3427% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  16.75 +/- 0.93   0.002% *  0.0543% (0.12   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  25.01 +/- 1.77   0.000% *  0.4474% (1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  20.10 +/- 1.63   0.001% *  0.1247% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  14.03 +/- 1.32   0.007% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  15.85 +/- 1.41   0.003% *  0.0110% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  24.01 +/- 1.23   0.000% *  0.1247% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  22.95 +/- 2.40   0.000% *  0.0553% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  23.89 +/- 1.39   0.000% *  0.0553% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  26.47 +/- 2.19   0.000% *  0.0887% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  23.74 +/- 1.25   0.000% *  0.0423% (0.09   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  24.01 +/- 1.40   0.000% *  0.0154% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  23.31 +/- 1.90   0.000% *  0.0154% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  24.51 +/- 1.25   0.000% *  0.0110% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.882, support = 3.19, residual support = 14.8:
          QD1   LEU   73 - HN    TRP   27   5.18 +/- 0.94  40.552% * 56.5918% (1.00   3.23  18.63) =  50.636%  kept
          QD2   LEU   80 - HN    TRP   27   5.32 +/- 2.59  53.181% * 42.0623% (0.76   3.14  10.87) =  49.357%  kept
          QG1   VAL   83 - HN    TRP   27   7.75 +/- 2.90   4.283% *  0.0541% (0.15   0.02   0.81) =   0.005%
          QG2   VAL   41 - HN    TRP   27   8.86 +/- 0.92   1.123% *  0.0475% (0.14   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    TRP   27  15.52 +/- 1.10   0.033% *  0.3500% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  11.25 +/- 0.95   0.266% *  0.0331% (0.09   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  16.55 +/- 1.26   0.024% *  0.2128% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  19.72 +/- 2.35   0.011% *  0.2809% (0.80   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.49 +/- 1.10   0.016% *  0.1846% (0.53   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91  10.67 +/- 0.99   0.358% *  0.0067% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  15.19 +/- 1.72   0.049% *  0.0347% (0.10   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  15.30 +/- 1.45   0.035% *  0.0432% (0.12   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  15.54 +/- 0.89   0.030% *  0.0432% (0.12   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  17.52 +/- 1.29   0.015% *  0.0263% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  16.84 +/- 1.41   0.020% *  0.0059% (0.02   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  21.02 +/- 1.21   0.005% *  0.0228% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 0.927, residual support = 4.02:
          QG2   VAL   75 - HN    TRP   27   5.73 +/- 0.90  91.780% * 97.2553% (0.95   0.93   4.02) =  99.949%  kept
          QG2   VAL   42 - HN    TRP   27  12.06 +/- 1.01   1.259% *  2.2122% (1.00   0.02   0.02) =   0.031%
          QG2   VAL   75 - HN    ALA   91  10.62 +/- 1.25   6.693% *  0.2591% (0.12   0.02   0.02) =   0.019%
          QG2   VAL   42 - HN    ALA   91  16.03 +/- 1.38   0.268% *  0.2733% (0.12   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 11 structures by 1.32 A, kept.
 
    Peak 1138 (4.49, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.7, residual support = 106.6:
          HA    TRP   27 - HE1   TRP   27   5.77 +/- 0.42  99.384% * 98.3467% (1.00   2.70 106.57) =  99.996%  kept
          HA    ALA   91 - HE1   TRP   27  16.07 +/- 1.97   0.388% *  0.6896% (0.95   0.02   0.02) =   0.003%
          HA    VAL  107 - HE1   TRP   27  16.45 +/- 1.12   0.192% *  0.6089% (0.84   0.02   0.02) =   0.001%
          HA    PRO   52 - HE1   TRP   27  22.16 +/- 1.31   0.036% *  0.3548% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 10 structures by 1.00 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.854, support = 1.93, residual support = 16.9:
          QD1   LEU   73 - HE1   TRP   27   4.84 +/- 1.49  59.414% * 47.1525% (0.87   2.04  18.63) =  85.362%  kept
          QD2   LEU   80 - HE1   TRP   27   6.88 +/- 2.69   6.573% * 45.9480% (0.99   1.74  10.87) =   9.203%  kept
          QG1   VAL   83 - HE1   TRP   27   6.77 +/- 3.93  33.663% *  5.2940% (0.41   0.48   0.81) =   5.430%  kept
          QD1   LEU  104 - HE1   TRP   27  13.35 +/- 2.19   0.122% *  0.4626% (0.87   0.02   0.02) =   0.002%
          QD1   LEU   63 - HE1   TRP   27  12.81 +/- 1.35   0.099% *  0.4626% (0.87   0.02   0.02) =   0.001%
          QD2   LEU  115 - HE1   TRP   27  16.69 +/- 2.52   0.060% *  0.5321% (1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HE1   TRP   27  13.91 +/- 1.73   0.068% *  0.1483% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 2 structures by 0.18 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.649, support = 1.43, residual support = 10.5:
          QD2   LEU   31 - HE1   TRP   27   3.41 +/- 1.38  59.009% * 41.1159% (0.31   1.98  12.73) =  50.129%  kept
          QG2   VAL   43 - HE1   TRP   27   4.10 +/- 1.07  40.991% * 58.8841% (0.99   0.88   8.31) =  49.871%  kept
    Distance limit 3.82 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.35, residual support = 27.7:
          HB2   GLU-  25 - HN    THR   26   2.64 +/- 0.14  97.864% * 98.9109% (0.90   5.35  27.67) =  99.998%  kept
          HG3   GLU-  29 - HN    THR   26   5.07 +/- 0.35   2.130% *  0.0816% (0.20   0.02   1.43) =   0.002%
          QG    GLN   17 - HN    THR   26  16.11 +/- 1.39   0.002% *  0.3303% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  15.41 +/- 1.33   0.003% *  0.1273% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  19.50 +/- 0.84   0.001% *  0.2996% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  20.77 +/- 0.34   0.000% *  0.2502% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1142 (2.02, 8.12, 116.43 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.27, residual support = 27.7:
          HB3   GLU-  25 - HN    THR   26   3.14 +/- 0.17  98.367% * 95.5084% (0.57   5.27  27.67) =  99.992%  kept
          HG3   GLN   30 - HN    THR   26   7.02 +/- 0.73   0.969% *  0.5348% (0.84   0.02   5.01) =   0.006%
          HB2   GLN   30 - HN    THR   26   7.74 +/- 0.81   0.562% *  0.3369% (0.53   0.02   5.01) =   0.002%
          HB    ILE   19 - HN    THR   26  10.31 +/- 0.67   0.088% *  0.1267% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  16.44 +/- 0.70   0.005% *  0.4893% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  16.78 +/- 0.48   0.005% *  0.4893% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  20.98 +/- 1.19   0.001% *  0.3883% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  24.22 +/- 1.56   0.001% *  0.6389% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  22.71 +/- 2.22   0.001% *  0.1976% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  27.27 +/- 1.77   0.000% *  0.3369% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  29.77 +/- 1.74   0.000% *  0.5348% (0.84   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  25.30 +/- 1.88   0.000% *  0.1597% (0.25   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  25.15 +/- 1.00   0.000% *  0.1597% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  24.43 +/- 1.03   0.000% *  0.0988% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 34.7:
          QG2   THR   26 - HN    THR   26   3.18 +/- 0.20  99.955% * 97.9515% (0.95   4.16  34.67) = 100.000%  kept
          HB2   LYS+  74 - HN    THR   26  12.05 +/- 0.87   0.040% *  0.4930% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   26  18.99 +/- 0.72   0.002% *  0.2230% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   26  21.78 +/- 1.49   0.001% *  0.4461% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  23.83 +/- 1.11   0.001% *  0.2230% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  27.46 +/- 1.80   0.000% *  0.4154% (0.84   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  25.63 +/- 1.23   0.000% *  0.1240% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  26.21 +/- 2.15   0.000% *  0.1240% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.6, support = 0.0199, residual support = 0.0199:
          HB2   LEU   31 - HN    THR   26   9.68 +/- 0.20  37.770% * 11.0578% (0.69   0.02   0.02) =  44.535%  kept
          HB3   LEU   80 - HN    THR   26   9.79 +/- 2.51  47.811% *  8.4695% (0.53   0.02   0.02) =  43.180%  kept
          QG2   THR   77 - HN    THR   26  12.28 +/- 0.66   9.125% *  7.8357% (0.49   0.02   0.02) =   7.624%  kept
          HB3   ASP-  44 - HN    THR   26  15.20 +/- 1.39   3.030% *  4.9686% (0.31   0.02   0.02) =   1.605%  kept
          QB    ALA   88 - HN    THR   26  17.89 +/- 1.55   0.947% * 13.9639% (0.87   0.02   0.02) =   1.410%  kept
          HG2   LYS+  38 - HN    THR   26  20.36 +/- 0.30   0.437% * 16.0623% (1.00   0.02   0.02) =   0.749%  kept
          HG2   LYS+  99 - HN    THR   26  21.74 +/- 0.88   0.303% * 15.5357% (0.97   0.02   0.02) =   0.502%  kept
          HB2   LEU   63 - HN    THR   26  20.88 +/- 1.37   0.416% *  6.6181% (0.41   0.02   0.02) =   0.293%
          HG2   LYS+ 111 - HN    THR   26  29.74 +/- 2.05   0.047% * 12.3026% (0.76   0.02   0.02) =   0.062%
          QB    ALA  124 - HN    THR   26  26.56 +/- 2.30   0.114% *  3.1858% (0.20   0.02   0.02) =   0.039%
    Distance limit 4.48 A violated in 20 structures by 3.67 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.65, residual support = 33.9:
      O   HA    VAL   24 - HN    GLU-  25   3.59 +/- 0.03  99.993% * 99.8455% (0.92  10.0   5.65  33.88) = 100.000%  kept
          HA    LYS+  38 - HN    GLU-  25  20.18 +/- 0.27   0.003% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    GLU-  25  21.21 +/- 1.36   0.003% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  24.98 +/- 1.45   0.001% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 5.99, residual support = 125.3:
      O   HB2   GLU-  25 - HN    GLU-  25   2.63 +/- 0.48  99.047% * 99.5608% (0.61  10.0   5.99 125.28) =  99.999%  kept
          HG3   GLU-  29 - HN    GLU-  25   6.38 +/- 0.46   0.799% *  0.0736% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  25   8.37 +/- 0.38   0.151% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  18.34 +/- 1.36   0.001% *  0.0799% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.40 +/- 0.21   0.000% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  19.84 +/- 1.81   0.001% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  21.26 +/- 1.02   0.001% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.85, residual support = 125.3:
      O   HB3   GLU-  25 - HN    GLU-  25   2.90 +/- 0.71  99.653% * 98.7761% (0.57  10.0   5.85 125.28) = 100.000%  kept
          HG3   GLN   30 - HN    GLU-  25   9.51 +/- 0.68   0.159% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLU-  25   9.74 +/- 0.83   0.150% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  12.61 +/- 0.74   0.030% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  18.82 +/- 0.68   0.003% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  19.23 +/- 0.51   0.002% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  21.94 +/- 1.37   0.001% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  26.35 +/- 1.46   0.000% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  22.27 +/- 2.64   0.001% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  29.71 +/- 2.13   0.000% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  28.21 +/- 2.06   0.000% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  25.17 +/- 1.29   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  25.61 +/- 1.83   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  26.43 +/- 1.11   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 3.24, residual support = 6.23:
          QG2   THR   23 - HN    GLU-  25   4.33 +/- 0.16  99.478% * 98.6053% (0.73   3.24   6.23) =  99.997%  kept
          QG2   THR   77 - HN    GLU-  25  11.68 +/- 0.89   0.295% *  0.6082% (0.73   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    GLU-  25  12.61 +/- 0.42   0.167% *  0.3143% (0.38   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    GLU-  25  16.33 +/- 1.62   0.042% *  0.2857% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  19.00 +/- 1.87   0.017% *  0.1865% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.52, residual support = 33.9:
          QG2   VAL   24 - HN    GLU-  25   3.18 +/- 0.59  99.995% * 99.2308% (0.97   4.52  33.88) = 100.000%  kept
          QG1   VAL  107 - HN    GLU-  25  20.27 +/- 1.38   0.003% *  0.1707% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    GLU-  25  23.36 +/- 1.51   0.001% *  0.3945% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  30.30 +/- 2.54   0.000% *  0.2039% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 125.3:
          HG2   GLU-  25 - HN    GLU-  25   3.57 +/- 0.55  99.976% * 99.4307% (0.97   5.27 125.28) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  16.28 +/- 1.78   0.017% *  0.1207% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  19.61 +/- 1.40   0.006% *  0.1903% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  30.10 +/- 2.15   0.000% *  0.1607% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  31.37 +/- 2.27   0.000% *  0.0975% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (3.76, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 65.2:
      O   HA    VAL   24 - HN    VAL   24   2.78 +/- 0.04  99.998% * 99.8455% (0.92  10.0   4.34  65.16) = 100.000%  kept
          HA    ALA   61 - HN    VAL   24  19.99 +/- 1.43   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  21.17 +/- 0.55   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  24.71 +/- 1.59   0.000% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 65.2:
      O   HB    VAL   24 - HN    VAL   24   2.35 +/- 0.36  99.642% * 99.7135% (0.95  10.0   4.68  65.16) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   6.87 +/- 1.37   0.350% *  0.0163% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  11.90 +/- 0.42   0.008% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  22.59 +/- 1.26   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  26.16 +/- 1.49   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.43, residual support = 25.2:
          QG2   THR   23 - HN    VAL   24   3.80 +/- 0.21  99.300% * 99.1623% (0.73   5.43  25.22) =  99.998%  kept
          QG2   THR   77 - HN    VAL   24   9.62 +/- 1.04   0.580% *  0.3653% (0.73   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    VAL   24  13.23 +/- 0.58   0.063% *  0.1888% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  14.65 +/- 1.56   0.041% *  0.1716% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  17.31 +/- 1.94   0.017% *  0.1120% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.842, support = 4.18, residual support = 65.2:
          QG1   VAL   24 - HN    VAL   24   2.47 +/- 0.56  76.828% * 77.1672% (0.90   4.09  65.16) =  92.117%  kept
          QG2   VAL   24 - HN    VAL   24   3.42 +/- 0.46  23.165% * 21.9007% (0.20   5.25  65.16) =   7.883%  kept
          HB3   LEU   31 - HN    VAL   24  12.63 +/- 0.40   0.006% *  0.0938% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  19.04 +/- 1.68   0.001% *  0.4175% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  28.52 +/- 2.61   0.000% *  0.3373% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  25.03 +/- 2.54   0.000% *  0.0834% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.76, support = 2.9, residual support = 8.84:
          QD2   LEU   80 - HN    VAL   24   3.29 +/- 2.17  89.061% * 87.6280% (0.76   2.92   8.89) =  99.442%  kept
          QG1   VAL   83 - HN    VAL   24   5.74 +/- 2.56   4.244% *  9.1815% (0.15   1.52   1.02) =   0.496%
          QD1   LEU   73 - HN    VAL   24   8.32 +/- 1.12   6.020% *  0.7833% (1.00   0.02   0.02) =   0.060%
          QG2   VAL   41 - HN    VAL   24  11.64 +/- 1.17   0.554% *  0.1062% (0.14   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    VAL   24  17.33 +/- 1.36   0.038% *  0.7833% (1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  20.85 +/- 2.65   0.038% *  0.6286% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    VAL   24  18.72 +/- 1.43   0.023% *  0.4761% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  19.98 +/- 1.53   0.023% *  0.4130% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 2 structures by 0.55 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.08, residual support = 21.5:
          HB2   HIS   22 - HN    THR   23   3.92 +/- 0.54  99.986% * 99.6157% (0.99   5.08  21.47) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  20.86 +/- 1.03   0.007% *  0.3307% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  21.56 +/- 2.92   0.007% *  0.0536% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.68, residual support = 21.5:
          HB3   HIS   22 - HN    THR   23   4.17 +/- 0.25  99.977% * 99.7200% (0.76   5.68  21.47) = 100.000%  kept
          HB2   PHE   95 - HN    THR   23  18.10 +/- 0.84   0.016% *  0.0910% (0.20   0.02   0.02) =   0.000%
          HD3   ARG+  54 - HN    THR   23  21.56 +/- 2.18   0.007% *  0.1890% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 1.87, residual support = 3.93:
          HB3   CYS   21 - HN    THR   23   3.57 +/- 0.55 100.000% *100.0000% (1.00   1.87   3.93) = 100.000%  kept
    Distance limit 4.40 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 = 2.03, residual support = 14.1:
          QG2   THR   26 - HN    THR   23   3.02 +/- 0.65  99.548% * 94.7429% (0.73   2.03  14.05) =  99.994%  kept
          HB2   LYS+  74 - HN    THR   23   8.87 +/- 0.97   0.441% *  1.2185% (0.95   0.02   0.02) =   0.006%
          HB3   LEU   40 - HN    THR   23  18.98 +/- 0.81   0.003% *  0.9353% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   23  19.46 +/- 1.45   0.003% *  0.8333% (0.65   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  23.57 +/- 1.93   0.001% *  0.6270% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  24.26 +/- 1.09   0.001% *  0.6270% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  26.21 +/- 1.78   0.001% *  0.7293% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  22.13 +/- 1.01   0.001% *  0.2868% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 19.2:
          QG2   THR   23 - HN    THR   23   3.18 +/- 0.33  99.812% * 97.7025% (0.41   4.75  19.20) =  99.998%  kept
          QG2   THR   77 - HN    THR   23   9.66 +/- 0.64   0.148% *  0.9650% (0.97   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    THR   23  12.46 +/- 0.33   0.032% *  0.1543% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   23  16.48 +/- 1.42   0.006% *  0.6469% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  22.26 +/- 0.32   0.001% *  0.3086% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  22.48 +/- 0.81   0.001% *  0.2226% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.301, support = 1.94, residual support = 4.09:
          QD2   LEU   80 - HN    THR   23   4.50 +/- 2.17  55.236% * 43.2166% (0.20   2.43   4.10) =  58.417%  kept
          QD1   LEU   80 - HN    THR   23   5.05 +/- 2.59  33.277% * 50.7355% (0.45   1.26   4.10) =  41.316%  kept
          QD1   LEU   73 - HN    THR   23   6.92 +/- 0.87  10.823% *  0.9448% (0.53   0.02   0.02) =   0.250%
          QG2   VAL   41 - HN    THR   23  11.21 +/- 0.83   0.393% *  1.1617% (0.65   0.02   0.02) =   0.011%
          QD2   LEU   98 - HN    THR   23  13.00 +/- 1.44   0.179% *  0.8051% (0.45   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    THR   23  16.99 +/- 1.30   0.026% *  1.7918% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    THR   23  15.73 +/- 1.21   0.042% *  0.9448% (0.53   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    THR   23  19.54 +/- 2.11   0.023% *  0.3998% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 3 structures by 0.67 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 34.5:
      O   HB3   HIS   22 - HN    HIS   22   3.15 +/- 0.52  99.997% * 99.9260% (0.98  10.0   3.46  34.50) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  20.38 +/- 2.26   0.003% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 6.57, residual support = 168.7:
          HG3   ARG+  54 - HN    ARG+  54   3.63 +/- 0.43  81.762% * 95.0448% (0.26   6.58 168.93) =  99.851%  kept
          QB    ALA   57 - HN    ARG+  54   5.33 +/- 1.21  13.704% *  0.7940% (0.72   0.02   0.02) =   0.140%
          QB    ALA   57 - HN    ASP-  62   6.31 +/- 0.36   4.006% *  0.1486% (0.14   0.02   0.02) =   0.008%
          HD2   LYS+  74 - HN    ARG+  54  11.91 +/- 1.27   0.122% *  0.4658% (0.42   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ARG+  54  14.90 +/- 1.94   0.030% *  0.8320% (0.76   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ASP-  62   9.99 +/- 0.99   0.254% *  0.0872% (0.08   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  13.43 +/- 1.39   0.061% *  0.1906% (0.17   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  13.64 +/- 1.23   0.045% *  0.0541% (0.05   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  23.44 +/- 1.48   0.001% *  1.0184% (0.93   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  18.64 +/- 1.81   0.007% *  0.1906% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  24.84 +/- 1.56   0.001% *  1.0184% (0.93   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  18.15 +/- 1.46   0.007% *  0.1557% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 3.42, residual support = 28.9:
      O   HB2   CYS   21 - HN    CYS   21   2.80 +/- 0.34  99.931% * 99.8975% (0.90  10.0   3.42  28.89) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  11.09 +/- 0.52   0.034% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.56 +/- 1.03   0.029% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.43 +/- 1.06   0.005% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  20.99 +/- 1.14   0.001% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.78 +/- 0.71   0.000% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.34, residual support = 28.9:
      O   HB3   CYS   21 - HN    CYS   21   3.54 +/- 0.35  99.932% * 99.8170% (0.53  10.0   3.34  28.89) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  14.71 +/- 1.01   0.022% *  0.1151% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  13.55 +/- 1.20   0.044% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  21.94 +/- 1.35   0.002% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.271, support = 0.0194, residual support = 0.0194:
          HG    LEU  123 - HN    ILE  119   6.89 +/- 0.90  40.674% *  3.5886% (0.32   0.02   0.02) =  59.476%  kept
          HB3   ASP- 105 - HN    ILE  119   7.30 +/- 1.70  36.195% *  1.1101% (0.10   0.02   0.02) =  16.372%  kept
          QB    LYS+  66 - HN    ILE  119   8.80 +/- 1.25  13.906% *  2.1815% (0.19   0.02   0.02) =  12.361%  kept
          HB    VAL   41 - HN    CYS   21  13.14 +/- 0.97   0.857% *  9.1141% (0.80   0.02   0.02) =   3.183%  kept
          QB    LYS+  33 - HN    CYS   21  11.16 +/- 0.70   2.270% *  2.5341% (0.22   0.02   0.02) =   2.344%  kept
          HG2   PRO   93 - HN    ILE  119  12.68 +/- 1.70   1.963% *  1.2268% (0.11   0.02   0.02) =   0.981%  kept
          QB    LYS+  66 - HN    CYS   21  16.20 +/- 0.67   0.245% *  6.9036% (0.61   0.02   0.02) =   0.689%  kept
          HG3   PRO   68 - HN    ILE  119  13.94 +/- 2.47   1.035% *  1.4786% (0.13   0.02   0.02) =   0.624%  kept
          HG12  ILE  103 - HN    CYS   21  17.55 +/- 0.88   0.143% * 10.5070% (0.92   0.02   0.02) =   0.612%  kept
          HB3   PRO   52 - HN    ILE  119  16.13 +/- 1.91   0.348% *  3.5886% (0.32   0.02   0.02) =   0.508%  kept
          HG12  ILE  103 - HN    ILE  119  15.25 +/- 1.27   0.339% *  3.3201% (0.29   0.02   0.02) =   0.458%
          HG2   ARG+  54 - HN    CYS   21  16.89 +/- 1.94   0.261% *  3.8825% (0.34   0.02   0.02) =   0.413%
          HB3   PRO   52 - HN    CYS   21  19.46 +/- 1.25   0.080% * 11.3569% (1.00   0.02   0.02) =   0.371%
          HB    VAL   41 - HN    ILE  119  15.95 +/- 1.48   0.276% *  2.8799% (0.25   0.02   0.02) =   0.324%
          HG2   PRO   93 - HN    CYS   21  16.94 +/- 1.02   0.183% *  3.8825% (0.34   0.02   0.02) =   0.290%
          HB    ILE  103 - HN    ILE  119  15.45 +/- 1.31   0.304% *  1.3499% (0.12   0.02   0.02) =   0.167%
          HG3   PRO   68 - HN    CYS   21  19.42 +/- 1.10   0.085% *  4.6793% (0.41   0.02   0.02) =   0.162%
          HG    LEU  123 - HN    CYS   21  23.71 +/- 2.15   0.028% * 11.3569% (1.00   0.02   0.02) =   0.128%
          HB3   ASP- 105 - HN    CYS   21  19.38 +/- 0.95   0.086% *  3.5131% (0.31   0.02   0.02) =   0.123%
          HB    ILE  103 - HN    CYS   21  19.98 +/- 0.86   0.065% *  4.2718% (0.38   0.02   0.02) =   0.113%
          HB3   GLN   90 - HN    CYS   21  18.85 +/- 1.36   0.098% *  1.9934% (0.18   0.02   0.02) =   0.080%
          HG2   ARG+  54 - HN    ILE  119  18.39 +/- 1.75   0.155% *  1.2268% (0.11   0.02   0.02) =   0.078%
          QB    LYS+ 102 - HN    ILE  119  15.92 +/- 1.52   0.262% *  0.6299% (0.06   0.02   0.02) =   0.067%
          QB    LYS+ 102 - HN    CYS   21  19.89 +/- 1.03   0.067% *  1.9934% (0.18   0.02   0.02) =   0.055%
          QB    LYS+  33 - HN    ILE  119  21.06 +/- 1.04   0.047% *  0.8007% (0.07   0.02   0.02) =   0.015%
          HB3   GLN   90 - HN    ILE  119  23.76 +/- 1.35   0.026% *  0.6299% (0.06   0.02   0.02) =   0.007%
    Distance limit 3.54 A violated in 20 structures by 2.27 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.569, support = 5.22, residual support = 128.9:
          QB    ALA   20 - HN    CYS   21   3.53 +/- 0.02  43.359% * 56.6117% (0.80   3.66  14.43) =  52.708%  kept
          HG13  ILE  119 - HN    ILE  119   3.43 +/- 0.39  52.772% * 41.7313% (0.31   6.97 256.40) =  47.288%  kept
          QG2   VAL  107 - HN    ILE  119   5.76 +/- 0.47   2.654% *  0.0272% (0.07   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    ILE  119   6.95 +/- 0.52   0.835% *  0.0502% (0.13   0.02   3.18) =   0.001%
          QG1   VAL   24 - HN    CYS   21   8.80 +/- 0.68   0.210% *  0.1194% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    CYS   21  12.54 +/- 0.77   0.022% *  0.3733% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119  10.22 +/- 1.84   0.133% *  0.0502% (0.13   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.93 +/- 1.66   0.002% *  0.3791% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  15.11 +/- 0.63   0.007% *  0.0861% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.78 +/- 1.06   0.002% *  0.0979% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  20.87 +/- 1.45   0.001% *  0.1179% (0.30   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  23.25 +/- 2.44   0.001% *  0.1590% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.80 +/- 1.13   0.000% *  0.1590% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  21.62 +/- 2.52   0.001% *  0.0377% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.544, support = 1.92, residual support = 6.98:
          QD2   LEU   73 - HN    CYS   21   4.97 +/- 0.47  54.458% * 78.6365% (0.57   1.99   7.45) =  93.694%  kept
          QD1   ILE   19 - HN    CYS   21   6.10 +/- 0.59  19.809% * 13.5633% (0.22   0.87   0.02) =   5.878%  kept
          QG2   VAL   18 - HN    CYS   21   7.03 +/- 0.70   8.307% *  0.9033% (0.65   0.02   0.02) =   0.164%
          QG1   VAL   43 - HN    CYS   21   7.92 +/- 0.95   4.352% *  1.2112% (0.87   0.02   0.02) =   0.115%
          QG2   THR   46 - HN    CYS   21   7.43 +/- 1.07   6.496% *  0.7346% (0.53   0.02   0.02) =   0.104%
          HG    LEU   31 - HN    CYS   21  10.59 +/- 0.98   0.671% *  1.0139% (0.73   0.02   0.02) =   0.015%
          QD1   ILE   56 - HN    ILE  119   7.74 +/- 0.94   4.756% *  0.1362% (0.10   0.02   0.02) =   0.014%
          QG1   VAL   41 - HN    CYS   21  11.90 +/- 0.54   0.270% *  1.3687% (0.98   0.02   0.02) =   0.008%
          QG1   VAL   43 - HN    ILE  119  13.06 +/- 0.94   0.170% *  0.3827% (0.27   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    CYS   21  14.07 +/- 1.71   0.134% *  0.4310% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    ILE  119  13.04 +/- 0.92   0.171% *  0.2854% (0.20   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE  119  14.31 +/- 1.37   0.111% *  0.4325% (0.31   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE  119  13.78 +/- 1.79   0.170% *  0.2321% (0.17   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    ILE  119  14.74 +/- 1.04   0.086% *  0.2498% (0.18   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE  119  20.29 +/- 1.69   0.013% *  0.3204% (0.23   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  119  17.58 +/- 1.53   0.029% *  0.0982% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.362, support = 4.19, residual support = 7.58:
          QD1   LEU   73 - HN    CYS   21   5.37 +/- 0.67  12.256% * 81.3503% (0.53   4.64   7.45) =  62.856%  kept
          QD2   LEU  115 - HN    ILE  119   3.99 +/- 0.41  56.001% *  8.9802% (0.07   3.83   9.06) =  31.705%  kept
          QD1   LEU   63 - HN    ILE  119   5.45 +/- 0.87  12.340% *  6.6578% (0.17   1.20   0.39) =   5.180%  kept
          QD2   LEU   63 - HN    ILE  119   5.67 +/- 1.14  11.179% *  0.2101% (0.32   0.02   0.39) =   0.148%
          QD1   LEU   80 - HN    CYS   21   7.45 +/- 2.30   3.286% *  0.2987% (0.45   0.02   0.02) =   0.062%
          QD2   LEU   80 - HN    CYS   21   6.90 +/- 1.95   4.321% *  0.1319% (0.20   0.02   0.02) =   0.036%
          QG2   VAL   41 - HN    CYS   21   9.81 +/- 0.52   0.252% *  0.4310% (0.65   0.02   0.02) =   0.007%
          QD2   LEU   63 - HN    CYS   21  13.34 +/- 1.15   0.046% *  0.6648% (1.00   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    CYS   21  11.89 +/- 1.25   0.095% *  0.2987% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    CYS   21  12.14 +/- 1.09   0.080% *  0.3506% (0.53   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    ILE  119  13.38 +/- 1.78   0.070% *  0.0944% (0.14   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE  119  14.14 +/- 1.04   0.031% *  0.1362% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  16.16 +/- 2.02   0.020% *  0.1483% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  15.59 +/- 0.76   0.016% *  0.1108% (0.17   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  20.78 +/- 2.05   0.003% *  0.0944% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  20.00 +/- 1.63   0.004% *  0.0417% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.284, support = 5.68, residual support = 36.3:
          HN    THR  118 - HN    ILE  119   2.56 +/- 0.12  96.974% * 53.4124% (0.28   5.76  36.84) =  97.617%  kept
          HN    GLN  116 - HN    ILE  119   4.65 +/- 0.29   2.831% * 44.6378% (0.53   2.54  14.58) =   2.381%  kept
          HN    GLU- 114 - HN    ILE  119   7.78 +/- 0.47   0.133% *  0.6312% (0.95   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ILE  119   9.67 +/- 0.94   0.047% *  0.0903% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  14.98 +/- 1.42   0.003% *  0.6312% (0.95   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  12.87 +/- 0.50   0.006% *  0.1995% (0.30   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  13.66 +/- 0.98   0.005% *  0.0285% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  23.71 +/- 0.82   0.000% *  0.1995% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  22.12 +/- 1.29   0.000% *  0.1109% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  21.35 +/- 0.86   0.000% *  0.0586% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.583, support = 2.49, residual support = 17.1:
          QE    PHE   59 - HN    ILE  119   4.06 +/- 0.73  76.060% * 25.4572% (0.22   3.00  19.08) =  53.510%  kept
          HN    HIS  122 - HN    ILE  119   5.12 +/- 0.15  23.142% * 72.6799% (1.00   1.91  14.91) =  46.482%  kept
          HN    PHE   59 - HN    ILE  119   9.38 +/- 1.33   0.636% *  0.4316% (0.57   0.02  19.08) =   0.008%
          HH2   TRP   87 - HN    CYS   21  15.40 +/- 3.00   0.056% *  0.2403% (0.32   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  21.88 +/- 4.27   0.006% *  0.7606% (1.00   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  13.92 +/- 1.41   0.072% *  0.0536% (0.07   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  16.28 +/- 1.05   0.023% *  0.1364% (0.18   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  21.30 +/- 1.27   0.004% *  0.2403% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 14.4:
          HN    ALA   20 - HN    CYS   21   4.24 +/- 0.05  99.994% * 99.7794% (0.95   2.86  14.43) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  21.73 +/- 1.03   0.006% *  0.2206% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.999, support = 5.58, residual support = 55.9:
        T HN    ALA  120 - HN    ILE  119   2.62 +/- 0.07  97.974% * 95.3860% (1.00 10.00   5.59  55.94) =  99.913%  kept
          HE21  GLN  116 - HN    ILE  119   5.91 +/- 1.29   1.974% *  4.1192% (0.80  1.00   1.08  14.58) =   0.087%
          HN    ALA   57 - HN    ILE  119  12.08 +/- 1.29   0.013% *  0.0693% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    ILE  119  10.59 +/- 0.28   0.023% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  22.57 +/- 1.18   0.000% *  0.3014% (0.32 10.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.94 +/- 1.55   0.011% *  0.0053% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  15.78 +/- 1.10   0.002% *  0.0219% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  21.48 +/- 2.26   0.000% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  23.96 +/- 2.39   0.000% *  0.0241% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  20.29 +/- 2.08   0.001% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  25.81 +/- 1.39   0.000% *  0.0189% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  25.02 +/- 2.24   0.000% *  0.0075% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.29, residual support = 36.8:
          HB    THR  118 - HN    ILE  119   3.32 +/- 0.25  99.926% * 98.0450% (0.98   5.29  36.84) = 100.000%  kept
          HB    THR   39 - HN    CYS   21  14.46 +/- 0.85   0.016% *  0.0913% (0.24   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  18.65 +/- 1.64   0.004% *  0.2888% (0.76   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  14.66 +/- 2.25   0.020% *  0.0491% (0.13   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  16.14 +/- 0.62   0.008% *  0.1071% (0.28   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  16.91 +/- 1.93   0.008% *  0.1071% (0.28   0.02   0.02) =   0.000%
          QB    SER   13 - HN    CYS   21  16.49 +/- 1.69   0.010% *  0.0867% (0.23   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ILE  119  20.56 +/- 1.91   0.002% *  0.3390% (0.90   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  22.47 +/- 1.55   0.001% *  0.3390% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  19.63 +/- 1.04   0.003% *  0.1171% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  24.81 +/- 1.19   0.001% *  0.2745% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  28.06 +/- 2.32   0.000% *  0.1554% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 7.89, residual support = 256.4:
          HG12  ILE  119 - HN    ILE  119   2.47 +/- 0.27  99.375% * 97.7441% (0.90   7.89 256.40) = 100.000%  kept
          HB2   ASP- 105 - HN    ILE  119   7.07 +/- 1.38   0.380% *  0.0374% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   21   8.03 +/- 0.67   0.112% *  0.0783% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   21   8.52 +/- 0.72   0.077% *  0.0842% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  13.04 +/- 1.04   0.005% *  0.2477% (0.90   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21  10.20 +/- 0.62   0.024% *  0.0459% (0.17   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  14.30 +/- 0.97   0.003% *  0.2666% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  12.55 +/- 1.53   0.009% *  0.0806% (0.29   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  12.53 +/- 1.17   0.009% *  0.0699% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  18.55 +/- 1.47   0.001% *  0.2212% (0.80   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  17.21 +/- 1.67   0.001% *  0.1136% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  16.87 +/- 1.51   0.001% *  0.0865% (0.31   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  21.57 +/- 1.11   0.000% *  0.2738% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  18.67 +/- 1.10   0.001% *  0.0783% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  23.13 +/- 1.73   0.000% *  0.2550% (0.92   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  18.82 +/- 1.13   0.001% *  0.0359% (0.13   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  20.81 +/- 2.65   0.001% *  0.0298% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  26.61 +/- 1.22   0.000% *  0.1453% (0.53   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  20.06 +/- 0.92   0.000% *  0.0118% (0.04   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  30.09 +/- 1.59   0.000% *  0.0942% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.55, residual support = 256.4:
      O   HB    ILE  119 - HN    ILE  119   2.29 +/- 0.12  99.666% * 99.0354% (0.92  10.0   7.55 256.40) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   7.31 +/- 1.15   0.180% *  0.0336% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   7.60 +/- 0.52   0.088% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119  10.24 +/- 1.00   0.014% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  12.57 +/- 2.33   0.015% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  11.77 +/- 0.82   0.007% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.50 +/- 0.53   0.011% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  15.16 +/- 1.78   0.002% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  10.98 +/- 0.55   0.009% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  17.87 +/- 1.69   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.16 +/- 0.48   0.003% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  20.32 +/- 2.12   0.000% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  14.62 +/- 1.28   0.002% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  21.10 +/- 1.26   0.000% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  18.34 +/- 2.01   0.001% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  22.74 +/- 1.77   0.000% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  19.41 +/- 1.03   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  18.94 +/- 1.71   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  19.93 +/- 1.30   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  18.81 +/- 1.85   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  20.97 +/- 1.33   0.000% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  20.95 +/- 0.85   0.000% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  24.12 +/- 1.25   0.000% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  29.06 +/- 1.38   0.000% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.912, support = 6.6, residual support = 232.0:
          HG13  ILE  119 - HN    ILE  119   3.43 +/- 0.39  43.839% * 84.9436% (0.99   6.97 256.40) =  90.092%  kept
          QB    ALA   20 - HN    CYS   21   3.53 +/- 0.02  34.406% *  8.6189% (0.19   3.66  14.43) =   7.174%  kept
          QG1   VAL  107 - HN    ILE  119   4.08 +/- 0.70  20.765% *  5.4381% (0.20   2.23   0.02) =   2.732%  kept
          HG2   LYS+ 121 - HN    ILE  119   6.95 +/- 0.52   0.677% *  0.0613% (0.25   0.02   3.18) =   0.001%
          HD3   LYS+ 112 - HN    ILE  119  10.22 +/- 1.84   0.114% *  0.1492% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    CYS   21   8.80 +/- 0.68   0.170% *  0.0378% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.54 +/- 0.77   0.018% *  0.0776% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.78 +/- 1.06   0.002% *  0.1492% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  20.87 +/- 1.45   0.001% *  0.2455% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.93 +/- 1.66   0.002% *  0.0770% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  21.62 +/- 2.52   0.001% *  0.1197% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  15.52 +/- 0.95   0.006% *  0.0154% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  23.25 +/- 2.44   0.001% *  0.0471% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.80 +/- 1.13   0.000% *  0.0194% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.415, support = 0.0198, residual support = 5.37:
          HG3   LYS+  74 - HN    CYS   21   5.52 +/- 0.54  58.066% *  3.7747% (0.23   0.02  10.26) =  46.532%  kept
          HB    VAL   75 - HN    CYS   21   6.34 +/- 0.57  28.245% *  3.9726% (0.24   0.02   2.48) =  23.822%  kept
          QD1   LEU   67 - HN    ILE  119  10.13 +/- 2.87   5.242% * 15.1858% (0.92   0.02   0.02) =  16.899%  kept
          QD2   LEU   40 - HN    ILE  119  10.20 +/- 1.57   2.140% * 15.5616% (0.95   0.02   0.02) =   7.069%  kept
          QG2   ILE  103 - HN    ILE  119  11.03 +/- 1.09   1.027% * 13.7407% (0.84   0.02   0.02) =   2.997%  kept
          QD2   LEU   71 - HN    CYS   21   9.26 +/- 0.90   3.433% *  1.2962% (0.08   0.02   0.02) =   0.945%  kept
          QD1   LEU   67 - HN    CYS   21  12.42 +/- 1.75   0.683% *  4.7985% (0.29   0.02   0.02) =   0.696%  kept
          QD1   ILE  103 - HN    ILE  119  12.78 +/- 1.38   0.456% *  2.8810% (0.18   0.02   0.02) =   0.279%
          QD2   LEU   40 - HN    CYS   21  14.00 +/- 0.85   0.238% *  4.9173% (0.30   0.02   0.02) =   0.248%
          HG3   LYS+  74 - HN    ILE  119  17.72 +/- 1.35   0.061% * 11.9456% (0.73   0.02   0.02) =   0.155%
          HB    VAL   75 - HN    ILE  119  17.87 +/- 0.97   0.054% * 12.5720% (0.76   0.02   0.02) =   0.143%
          QD2   LEU   71 - HN    ILE  119  15.61 +/- 0.92   0.128% *  4.1020% (0.25   0.02   0.02) =   0.112%
          QG2   ILE  103 - HN    CYS   21  16.53 +/- 0.75   0.082% *  4.3419% (0.26   0.02   0.02) =   0.076%
          QD1   ILE  103 - HN    CYS   21  15.05 +/- 1.01   0.145% *  0.9104% (0.06   0.02   0.02) =   0.028%
    Distance limit 3.48 A violated in 19 structures by 1.53 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.5, residual support = 36.8:
          QG2   THR  118 - HN    ILE  119   3.30 +/- 0.34  99.984% * 99.9029% (0.57   6.50  36.84) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  14.97 +/- 0.76   0.016% *  0.0971% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.797, support = 4.19, residual support = 53.1:
          QB    ALA  120 - HN    ILE  119   4.16 +/- 0.08  69.738% * 67.0588% (0.80   4.39  55.94) =  94.075%  kept
          HG    LEU  115 - HN    ILE  119   6.08 +/- 0.92  11.165% * 12.8147% (0.80   0.84   9.06) =   2.878%  kept
          HB3   LEU  115 - HN    ILE  119   6.02 +/- 0.54   8.264% * 12.4550% (0.95   0.69   9.06) =   2.071%  kept
          HG    LEU   73 - HN    CYS   21   6.46 +/- 1.07   8.972% *  5.3740% (0.15   1.83   7.45) =   0.970%  kept
          QG    LYS+  66 - HN    ILE  119   9.07 +/- 1.53   1.079% *  0.1178% (0.31   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    ILE  119  12.36 +/- 3.29   0.303% *  0.3782% (0.99   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE  119  12.48 +/- 1.57   0.130% *  0.3610% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE  119  13.66 +/- 1.52   0.067% *  0.2160% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  13.11 +/- 2.05   0.106% *  0.0668% (0.18   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  15.89 +/- 1.84   0.031% *  0.1195% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.48 +/- 0.80   0.028% *  0.1141% (0.30   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.32 +/- 1.15   0.015% *  0.1857% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.02 +/- 2.18   0.010% *  0.2314% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  15.77 +/- 0.97   0.026% *  0.0683% (0.18   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  19.02 +/- 1.13   0.008% *  0.1141% (0.30   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  19.64 +/- 1.80   0.008% *  0.0965% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  15.67 +/- 1.24   0.028% *  0.0211% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.21 +/- 1.10   0.015% *  0.0372% (0.10   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  20.84 +/- 1.00   0.005% *  0.0965% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.62 +/- 1.06   0.003% *  0.0731% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.73, residual support = 2.48:
          QG2   VAL   75 - HN    CYS   21   4.49 +/- 0.73  95.072% * 98.2262% (1.00   1.73   2.48) =  99.973%  kept
          QG2   VAL   42 - HN    ILE  119   9.09 +/- 1.39   3.685% *  0.3399% (0.30   0.02   0.02) =   0.013%
          QG2   VAL   42 - HN    CYS   21  10.13 +/- 1.09   1.139% *  1.0755% (0.95   0.02   0.02) =   0.013%
          QG2   VAL   75 - HN    ILE  119  15.68 +/- 1.17   0.104% *  0.3585% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 4 structures by 0.38 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.73, residual support = 15.2:
      O   QB    ALA   20 - HN    ALA   20   2.22 +/- 0.10  99.997% * 99.6430% (0.84  10.0   3.73  15.22) = 100.000%  kept
          HB3   LEU   31 - HN    ALA   20  14.12 +/- 0.59   0.002% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    ALA   20  16.92 +/- 0.61   0.001% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.81 +/- 0.52   0.000% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  19.69 +/- 1.60   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  24.83 +/- 1.10   0.000% *  0.1190% (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 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.67, residual support = 25.4:
          QG2   ILE   19 - HN    ALA   20   2.45 +/- 0.31  99.998% * 99.7541% (0.99   3.67  25.36) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  15.01 +/- 1.25   0.002% *  0.2459% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.98, residual support = 175.1:
      O   HB    ILE   19 - HN    ILE   19   2.37 +/- 0.22  99.506% * 99.4048% (0.97  10.0   5.98 175.14) = 100.000%  kept
          HB2   GLN   17 - HN    ILE   19   6.00 +/- 0.39   0.429% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE   19   8.54 +/- 0.45   0.051% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  13.57 +/- 1.01   0.004% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  13.20 +/- 1.75   0.006% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  15.15 +/- 0.51   0.002% *  0.0924% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  19.44 +/- 0.95   0.000% *  0.1021% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  16.81 +/- 1.32   0.001% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  18.53 +/- 1.60   0.001% *  0.0257% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  23.36 +/- 1.36   0.000% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.724, support = 6.18, residual support = 171.4:
          HG12  ILE   19 - HN    ILE   19   3.22 +/- 0.71  84.042% * 78.4342% (0.73   6.30 175.14) =  97.813%  kept
          HG    LEU   73 - HN    ILE   19   5.33 +/- 0.52   8.030% * 14.6462% (0.80   1.07   4.00) =   1.745%  kept
          HB3   LYS+  74 - HN    ILE   19   5.61 +/- 0.64   6.278% *  4.6625% (0.18   1.55   8.39) =   0.434%
          QB    ALA   61 - HN    ILE   19   8.38 +/- 1.38   1.242% *  0.3310% (0.97   0.02   0.02) =   0.006%
          HB3   LEU   67 - HN    ILE   19  10.22 +/- 1.40   0.119% *  0.3430% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ILE   19  12.80 +/- 1.02   0.036% *  0.3245% (0.95   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE   19  10.58 +/- 2.29   0.145% *  0.0764% (0.22   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  14.48 +/- 2.45   0.023% *  0.2865% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  11.95 +/- 0.49   0.046% *  0.1059% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  14.52 +/- 2.25   0.022% *  0.1059% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  17.17 +/- 1.92   0.006% *  0.2747% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  17.41 +/- 1.37   0.005% *  0.1059% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  21.13 +/- 1.09   0.002% *  0.2356% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  19.99 +/- 1.53   0.003% *  0.0679% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.98, residual support = 175.1:
          HG13  ILE   19 - HN    ILE   19   3.18 +/- 0.54  95.401% * 98.0224% (0.97   5.98 175.14) =  99.985%  kept
          HG    LEU   71 - HN    ILE   19   7.35 +/- 1.40   2.209% *  0.3329% (0.98   0.02   0.02) =   0.008%
          HG2   LYS+  74 - HN    ILE   19   7.06 +/- 0.86   1.744% *  0.3366% (0.99   0.02   8.39) =   0.006%
          QG2   THR   39 - HN    ILE   19   8.86 +/- 0.89   0.348% *  0.2333% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   19   9.27 +/- 0.56   0.235% *  0.0460% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  12.72 +/- 1.60   0.038% *  0.0847% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  16.68 +/- 1.31   0.008% *  0.3389% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  16.67 +/- 0.54   0.007% *  0.2333% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  18.07 +/- 1.21   0.005% *  0.1396% (0.41   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  19.77 +/- 1.87   0.003% *  0.1275% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  23.71 +/- 1.63   0.001% *  0.1048% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.9, residual support = 22.4:
          QG1   VAL   18 - HN    ILE   19   2.57 +/- 0.31  97.751% * 96.4292% (0.34   4.90  22.44) =  99.981%  kept
          QD1   LEU   71 - HN    ILE   19   6.16 +/- 1.52   2.180% *  0.7923% (0.69   0.02   0.02) =   0.018%
          QG1   VAL   70 - HN    ILE   19   9.43 +/- 0.89   0.062% *  0.5171% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    ILE   19  15.12 +/- 1.71   0.004% *  0.7923% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  18.23 +/- 0.74   0.001% *  1.1131% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  16.49 +/- 2.31   0.003% *  0.3560% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.777, support = 4.91, residual support = 80.7:
          QG2   VAL   18 - HN    ILE   19   3.85 +/- 0.41  31.252% * 57.5276% (0.97   4.86  22.44) =  56.721%  kept
          QD1   ILE   19 - HN    ILE   19   3.76 +/- 0.85  32.692% * 37.5062% (0.57   5.40 175.14) =  38.685%  kept
          QD2   LEU   73 - HN    ILE   19   3.65 +/- 0.82  35.504% *  4.0981% (0.22   1.50   4.00) =   4.590%  kept
          QG1   VAL   43 - HN    ILE   19   8.37 +/- 0.58   0.271% *  0.2433% (0.99   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    ILE   19   9.21 +/- 0.74   0.156% *  0.2201% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE   19  10.32 +/- 0.52   0.073% *  0.2201% (0.90   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE   19  11.30 +/- 0.91   0.046% *  0.0837% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  15.69 +/- 0.98   0.006% *  0.1009% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.697, support = 4.22, residual support = 24.2:
          HG12  ILE   19 - HN    ALA   20   4.99 +/- 0.57  52.748% * 84.2150% (0.73   4.42  25.36) =  93.777%  kept
          HB3   LYS+  74 - HN    ALA   20   5.31 +/- 0.56  38.761% *  6.6055% (0.18   1.44   8.19) =   5.405%  kept
          HG    LEU   73 - HN    ALA   20   7.69 +/- 0.87   6.636% *  5.7243% (0.80   0.27   0.02) =   0.802%  kept
          QB    ALA   61 - HN    ALA   20  10.42 +/- 1.63   0.967% *  0.5067% (0.97   0.02   0.02) =   0.010%
          HG    LEU   80 - HN    ALA   20  13.14 +/- 2.40   0.248% *  0.4386% (0.84   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   20  14.45 +/- 1.52   0.125% *  0.5251% (1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   20  13.17 +/- 2.20   0.199% *  0.1621% (0.31   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA   20  16.32 +/- 1.05   0.047% *  0.4967% (0.95   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   20  14.72 +/- 2.52   0.174% *  0.1169% (0.22   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   20  19.05 +/- 2.06   0.022% *  0.4204% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  16.00 +/- 0.65   0.053% *  0.1621% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  20.64 +/- 1.21   0.011% *  0.1621% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  24.24 +/- 1.18   0.004% *  0.3607% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  24.16 +/- 1.51   0.005% *  0.1039% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.26, support = 2.65, residual support = 9.58:
          HB3   LYS+  74 - HN    CYS   21   3.39 +/- 0.53  83.572% * 14.0131% (0.18   2.82  10.26) =  84.856%  kept
          HG    LEU   73 - HN    CYS   21   6.46 +/- 1.07   3.662% * 41.5695% (0.80   1.83   7.45) =  11.029%  kept
          HG12  ILE   19 - HN    CYS   21   7.15 +/- 0.22   1.165% * 36.1079% (0.73   1.75   0.02) =   3.048%  kept
          HB3   LEU  115 - HN    ILE  119   6.02 +/- 0.54   4.414% *  1.9080% (0.10   0.69   9.06) =   0.610%  kept
          HD3   LYS+ 121 - HN    ILE  119   6.10 +/- 0.94   4.289% *  1.2775% (0.06   0.72   3.18) =   0.397%
          HG    LEU   80 - HN    CYS   21   9.24 +/- 2.51   0.893% *  0.4736% (0.84   0.02   0.02) =   0.031%
          QB    ALA   61 - HN    CYS   21  10.86 +/- 1.35   0.233% *  0.5472% (0.97   0.02   0.02) =   0.009%
          QG    LYS+  66 - HN    ILE  119   9.07 +/- 1.53   0.673% *  0.1695% (0.30   0.02   0.02) =   0.008%
          HB2   LEU   80 - HN    CYS   21   9.21 +/- 2.29   0.492% *  0.1750% (0.31   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    ILE  119  10.58 +/- 1.10   0.143% *  0.1435% (0.25   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    ILE  119  11.29 +/- 0.83   0.081% *  0.1729% (0.30   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  119  13.11 +/- 2.05   0.057% *  0.1792% (0.32   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE  119  12.36 +/- 3.29   0.194% *  0.0399% (0.07   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  15.67 +/- 1.24   0.011% *  0.5670% (1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    CYS   21  16.91 +/- 1.91   0.009% *  0.4540% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.21 +/- 1.10   0.006% *  0.5363% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  12.48 +/- 1.57   0.061% *  0.0553% (0.10   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.48 +/- 0.80   0.011% *  0.1750% (0.31   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  15.89 +/- 1.84   0.011% *  0.1262% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.32 +/- 1.15   0.007% *  0.1435% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  19.02 +/- 1.13   0.003% *  0.1750% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.62 +/- 1.06   0.001% *  0.3895% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.02 +/- 2.18   0.003% *  0.1231% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  19.79 +/- 1.69   0.003% *  0.1301% (0.23   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  18.57 +/- 1.10   0.004% *  0.0314% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  22.93 +/- 1.54   0.001% *  0.1122% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  24.39 +/- 2.34   0.001% *  0.1496% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  23.94 +/- 2.08   0.001% *  0.0553% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.17, residual support = 84.3:
      O   QG    GLN   17 - HE21  GLN   17   2.15 +/- 0.05  99.997% * 99.5957% (0.48  10.0   3.17  84.34) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  13.44 +/- 1.45   0.002% *  0.0879% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  21.14 +/- 1.91   0.000% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  21.25 +/- 1.39   0.000% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  20.52 +/- 2.16   0.000% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  20.29 +/- 1.22   0.000% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  29.11 +/- 1.82   0.000% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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   4.43 +/- 0.03  99.445% * 99.9055% (0.73 10.00   5.47  50.10) =  99.999%  kept
          HN    SER   13 - HN    GLN   17  10.88 +/- 0.84   0.555% *  0.0945% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 4.19 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   4.43 +/- 0.03  99.856% * 99.7850% (0.89 10.00   5.47  50.10) = 100.000%  kept
          HD21  ASN   69 - HN    VAL   18  13.78 +/- 1.31   0.139% *  0.1079% (0.96  1.00   0.02   0.02) =   0.000%
          HN    TRP   87 - HN    VAL   18  23.56 +/- 1.94   0.005% *  0.1071% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 8.39:
        T HN    LYS+  74 - HN    ILE   19   4.27 +/- 0.63  99.707% * 99.4791% (0.41 10.00   3.25   8.39) =  99.999%  kept
          HN    THR   46 - HN    ILE   19  11.94 +/- 0.75   0.255% *  0.2021% (0.84  1.00   0.02   0.02) =   0.001%
          HN    MET   92 - HN    ILE   19  18.81 +/- 1.58   0.021% *  0.2335% (0.97  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  21.29 +/- 2.24   0.012% *  0.0373% (0.15  1.00   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  23.35 +/- 1.21   0.006% *  0.0479% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 1 structures by 0.16 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.86, support = 2.58, residual support = 2.62:
          HN    THR   26 - HN    VAL   24   4.51 +/- 0.18  84.985% * 93.4389% (0.87   2.60   2.54) =  98.858%  kept
          HN    LEU   80 - HN    VAL   24   6.74 +/- 1.73  14.941% *  6.1387% (0.20   0.75   8.89) =   1.142%  kept
          HN    ALA   34 - HN    VAL   24  15.03 +/- 0.27   0.063% *  0.1119% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  20.62 +/- 1.80   0.011% *  0.3105% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.977, support = 4.31, residual support = 25.2:
          HN    THR   23 - HN    VAL   24   4.33 +/- 0.09  73.346% * 94.6854% (0.98   4.37  25.22) =  98.573%  kept
          HE3   TRP   27 - HN    VAL   24   6.39 +/- 2.04  25.382% *  3.9554% (0.76   0.23  22.72) =   1.425%  kept
          HD2   HIS   22 - HN    VAL   24   8.56 +/- 0.23   1.223% *  0.0983% (0.22   0.02   0.02) =   0.002%
          QE    PHE   95 - HN    VAL   24  16.54 +/- 1.47   0.023% *  0.4378% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  17.42 +/- 1.34   0.019% *  0.1507% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  23.08 +/- 1.76   0.004% *  0.3690% (0.84   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  23.24 +/- 1.09   0.003% *  0.3034% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HE1   TRP   87 - HE1   TRP   27   8.31 +/- 4.27 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.97 A violated in 16 structures by 4.47 A, eliminated.
    Peak unassigned.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.04, residual support = 18.7:
        T HN    ALA   34 - HN    ASN   35   2.69 +/- 0.04  97.574% * 98.9220% (0.98 10.00   4.04  18.74) =  99.999%  kept
          HN    GLN   32 - HN    ASN   35   4.99 +/- 0.14   2.425% *  0.0531% (0.53  1.00   0.02   6.45) =   0.001%
        T HN    LEU   80 - HN    ASN   35  21.11 +/- 1.99   0.000% *  0.9316% (0.92 10.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  28.40 +/- 1.14   0.000% *  0.0733% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  24.02 +/- 3.14   0.000% *  0.0200% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 18.8:
        T HN    SER   37 - HN    GLU-  36   2.47 +/- 0.09  99.999% * 99.7690% (0.98 10.00   3.97  18.77) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.66 +/- 0.58   0.001% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  24.41 +/- 1.50   0.000% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  26.24 +/- 2.67   0.000% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 5.34, residual support = 28.5:
        T HN    LYS+  38 - HN    THR   39   2.57 +/- 0.09  99.968% * 99.8693% (1.00 10.00   5.34  28.45) = 100.000%  kept
          HN    LEU   31 - HN    THR   39   9.94 +/- 0.42   0.031% *  0.0278% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  19.93 +/- 0.56   0.000% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  28.61 +/- 0.93   0.000% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 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   2.77 +/- 0.33  99.831% * 99.8546% (0.76   4.00  16.40) = 100.000%  kept
          HN    PHE   72 - HN    VAL   43   8.30 +/- 0.22   0.169% *  0.1454% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.33, residual support = 7.16:
          HN    LEU   73 - HN    ASP-  44   3.97 +/- 0.27  95.034% * 70.6008% (0.38   4.38   7.31) =  97.971%  kept
          HN    VAL   42 - HN    ASP-  44   6.60 +/- 0.20   4.866% * 28.5427% (0.38   1.77   0.02) =   2.028%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.60 +/- 0.30   0.100% *  0.8565% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.89, residual support = 36.9:
          HN    VAL   42 - HN    VAL   43   4.32 +/- 0.12  73.674% * 75.0214% (0.38   6.33  40.12) =  89.848%  kept
          HN    LEU   73 - HN    VAL   43   5.21 +/- 0.35  25.633% * 24.3481% (0.38   2.05   7.90) =  10.145%  kept
          HN    LYS+ 106 - HN    VAL   43   9.44 +/- 0.23   0.694% *  0.6305% (1.00   0.02   0.02) =   0.007%
    Distance limit 4.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.807, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44  10.81 +/- 0.77  48.824% * 15.3753% (0.65   0.02   0.02) =  40.608%  kept
          HN    ALA   84 - HN    ASP-  44  12.77 +/- 1.83  21.904% * 23.7147% (1.00   0.02   0.02) =  28.100%  kept
          HN    ILE   56 - HN    ASP-  44  12.86 +/- 1.02  19.166% * 18.1638% (0.76   0.02   0.02) =  18.832%  kept
          HN    LYS+ 111 - HN    ASP-  44  15.13 +/- 1.80   8.114% * 23.7147% (1.00   0.02   0.02) =  10.408%  kept
          HE21  GLN   32 - HN    ASP-  44  18.59 +/- 0.97   1.992% * 19.0315% (0.80   0.02   0.02) =   2.051%  kept
    Distance limit 4.15 A violated in 20 structures by 5.38 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.463, support = 0.691, residual support = 1.98:
          QD    PHE   60 - HN    ASP-  44   5.64 +/- 0.67  83.332% * 46.4082% (0.41   0.75   2.22) =  89.012%  kept
          QE    PHE   59 - HN    ASP-  44   8.26 +/- 1.83  14.667% * 31.2573% (0.92   0.22   0.02) =  10.552%  kept
          HN    PHE   59 - HN    ASP-  44  12.05 +/- 0.94   0.892% * 19.1703% (0.57   0.22   0.02) =   0.394%
          HN    LYS+  66 - HN    ASP-  44  13.34 +/- 0.57   0.583% *  2.6997% (0.90   0.02   0.02) =   0.036%
          HN    LYS+  81 - HN    ASP-  44  14.07 +/- 1.15   0.526% *  0.4645% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.44 A violated in 11 structures by 1.04 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.666, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  12.02 +/- 0.96  76.306% * 29.1578% (0.63   0.02   0.02) =  72.326%  kept
          HD21  ASN   69 - HN    ASP-  62  15.05 +/- 1.09  22.063% * 36.0114% (0.77   0.02   0.02) =  25.827%  kept
          HN    TRP   87 - HN    ASP-  62  23.32 +/- 1.37   1.631% * 34.8308% (0.75   0.02   0.02) =   1.846%  kept
    Distance limit 3.36 A violated in 20 structures by 8.08 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 = 42.5:
        T HN    LEU   63 - HN    ASP-  62   2.60 +/- 0.09  99.954% * 98.0197% (0.32 10.00   5.85  42.46) =  99.999%  kept
        T HN    ILE   56 - HN    ASP-  62   9.66 +/- 0.47   0.041% *  1.2712% (0.42 10.00   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ASP-  62  14.19 +/- 2.01   0.005% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  22.46 +/- 1.12   0.000% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  27.28 +/- 0.94   0.000% *  0.2560% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (8.75, 8.95, 120.59 ppm):
    2 chemical-shift based assignments, quality = 0.924, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   8.08 +/- 0.36  98.345% * 48.0011% (0.92   0.02   0.02) =  98.209%  kept
          HN    ALA  110 - HN    LEU   73  16.60 +/- 1.98   1.655% * 51.9989% (1.00   0.02   0.02) =   1.791%  kept
    Distance limit 3.92 A violated in 20 structures by 4.13 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.4, support = 3.88, residual support = 20.6:
          HN    VAL   75 - HN    ASP-  76   4.29 +/- 0.11  73.474% * 48.7380% (0.28   4.64  27.25) =  72.697%  kept
          HN    ASP-  78 - HN    ASP-  76   5.10 +/- 0.20  26.520% * 50.7133% (0.73   1.85   3.07) =  27.303%  kept
          HN    LYS+ 112 - HN    ASP-  76  21.79 +/- 1.09   0.004% *  0.3387% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  29.69 +/- 3.45   0.002% *  0.2100% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 28.1:
        T HN    LYS+ 111 - HN    LYS+ 112   4.39 +/- 0.11  97.872% * 99.6886% (0.87 10.00   5.34  28.08) =  99.999%  kept
          HN    ILE   56 - HN    LYS+ 112   8.86 +/- 1.40   1.998% *  0.0559% (0.49  1.00   0.02   8.53) =   0.001%
          HN    LEU   63 - HN    LYS+ 112  13.98 +/- 1.88   0.124% *  0.0431% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  23.29 +/- 1.95   0.005% *  0.0997% (0.87  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  35.05 +/- 1.65   0.000% *  0.1126% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 0.415, support = 0.0199, residual support = 0.0199:
          QD    PHE   55 - HN    GLN  116   8.56 +/- 1.67  72.747% * 11.5373% (0.28   0.02   0.02) =  57.689%  kept
          QD    PHE   60 - HN    GLN  116  11.32 +/- 1.16  20.786% * 26.8436% (0.65   0.02   0.02) =  38.352%  kept
          HN    LYS+  66 - HN    GLN  116  13.72 +/- 1.19   6.091% *  8.2119% (0.20   0.02   0.02) =   3.438%  kept
          HE3   TRP   27 - HN    GLN  116  22.38 +/- 1.43   0.285% * 14.1544% (0.34   0.02   0.02) =   0.277%
          HN    LYS+  81 - HN    GLN  116  26.68 +/- 1.44   0.091% * 39.2529% (0.95   0.02   0.02) =   0.244%
    Distance limit 4.23 A violated in 19 structures by 3.75 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.796, support = 6.06, residual support = 53.7:
      O   HA    ILE  119 - HN    ALA  120   3.62 +/- 0.01  79.389% * 85.9411% (0.80  10.0   6.15  55.94) =  96.017%  kept
          HA    THR  118 - HN    ALA  120   4.57 +/- 0.24  20.483% * 13.8184% (0.67   1.0   3.84   0.15) =   3.983%  kept
          HA2   GLY  109 - HN    ALA  120  15.11 +/- 2.18   0.078% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA  120  13.01 +/- 1.47   0.046% *  0.0196% (0.18   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  22.12 +/- 0.96   0.002% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  24.90 +/- 2.04   0.001% *  0.0601% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  27.13 +/- 1.37   0.000% *  0.0793% (0.74   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 5.95:
          HA    SER  117 - HN    ALA  120   3.62 +/- 0.17  99.871% * 95.2241% (0.92   0.75   5.95) =  99.998%  kept
          HA    ASP-  62 - HN    ALA  120  11.78 +/- 1.32   0.102% *  1.3390% (0.49   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA  120  14.69 +/- 1.13   0.024% *  1.0463% (0.38   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  28.14 +/- 1.40   0.000% *  1.9449% (0.71   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  22.68 +/- 1.55   0.002% *  0.4457% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.04, residual support = 123.5:
      O   HG3   GLN  116 - HE21  GLN  116   3.58 +/- 0.42  99.992% * 99.8198% (0.69  10.0   4.04 123.52) = 100.000%  kept
          HG3   MET   96 - HE21  GLN  116  18.53 +/- 1.56   0.007% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE21  GLN  116  24.52 +/- 3.09   0.001% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  30.25 +/- 2.50   0.000% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.562, support = 2.8, residual support = 66.0:
          HG    LEU  115 - HE21  GLN  116   7.31 +/- 2.12  18.898% * 23.9968% (0.41   3.49 100.94) =  37.118%  kept
          QB    ALA  120 - HE21  GLN  116   4.60 +/- 2.00  74.084% *  5.7137% (0.41   0.83   0.30) =  34.647%  kept
          HB3   LEU  115 - HE21  GLN  116   8.12 +/- 1.60   5.040% * 68.3683% (0.95   4.32 100.94) =  28.205%  kept
          QG    LYS+  66 - HE21  GLN  116   9.25 +/- 2.16   1.145% *  0.2300% (0.69   0.02   0.02) =   0.022%
          QB    ALA   61 - HE21  GLN  116  11.88 +/- 2.04   0.368% *  0.1142% (0.34   0.02   0.02) =   0.003%
          HG    LEU   67 - HE21  GLN  116  14.68 +/- 3.83   0.093% *  0.2905% (0.87   0.02   0.02) =   0.002%
          QB    ALA  110 - HE21  GLN  116  12.32 +/- 1.57   0.290% *  0.0586% (0.18   0.02   0.02) =   0.001%
          HG    LEU   40 - HE21  GLN  116  16.96 +/- 2.26   0.020% *  0.3168% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   67 - HE21  GLN  116  15.50 +/- 2.80   0.038% *  0.1630% (0.49   0.02   0.02) =   0.001%
          HG    LEU   73 - HE21  GLN  116  21.30 +/- 1.69   0.006% *  0.2905% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  17.87 +/- 2.25   0.014% *  0.0746% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  24.06 +/- 2.56   0.003% *  0.3168% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  28.23 +/- 2.56   0.001% *  0.0663% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.342, support = 1.11, residual support = 0.703:
          HB    ILE  119 - HN    SER  117   4.83 +/- 0.39  47.313% * 50.8911% (0.20   1.58   1.08) =  64.244%  kept
          QB    GLU- 114 - HN    SER  117   4.79 +/- 0.27  48.174% * 27.5155% (0.61   0.28   0.02) =  35.367%  kept
          HB2   LYS+ 111 - HN    SER  117   7.36 +/- 0.91   4.440% *  3.2537% (1.00   0.02   0.02) =   0.385%
          HB3   PRO   68 - HN    SER  117  18.68 +/- 2.02   0.018% *  2.7238% (0.84   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    SER  117  17.50 +/- 2.49   0.032% *  1.4620% (0.45   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    SER  117  22.59 +/- 1.09   0.005% *  3.2537% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    SER  117  23.03 +/- 1.32   0.004% *  3.2537% (1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    SER  117  22.29 +/- 0.97   0.005% *  1.7157% (0.53   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  25.82 +/- 1.73   0.002% *  1.4620% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  23.31 +/- 1.87   0.004% *  0.8131% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  24.14 +/- 1.25   0.003% *  0.6453% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  31.57 +/- 1.26   0.001% *  3.0103% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.863, support = 2.23, residual support = 3.22:
          HG    LEU  115 - HN    SER  117   5.79 +/- 0.81  24.791% * 40.5971% (0.84   2.86   1.83) =  34.515%  kept
          QB    ALA  120 - HN    SER  117   4.92 +/- 0.39  50.768% * 19.4112% (0.84   1.37   5.95) =  33.795%  kept
          HB3   LEU  115 - HN    SER  117   5.68 +/- 0.44  23.908% * 38.6478% (0.92   2.47   1.83) =  31.687%  kept
          QG    LYS+  66 - HN    SER  117  11.71 +/- 1.28   0.305% *  0.0944% (0.28   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    SER  117  15.90 +/- 3.22   0.082% *  0.3329% (0.98   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  15.82 +/- 1.40   0.052% *  0.3135% (0.92   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    SER  117  17.15 +/- 1.45   0.031% *  0.2060% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  16.67 +/- 2.06   0.041% *  0.0524% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  21.11 +/- 2.22   0.011% *  0.1923% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  20.32 +/- 1.08   0.011% *  0.1523% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 0.996, support = 3.09, residual support = 17.1:
          HB2   PHE   97 - HN    LEU  104   3.55 +/- 0.59  92.980% * 83.6640% (1.00   3.11  17.27) =  99.210%  kept
          QE    LYS+ 106 - HN    LEU  104   6.68 +/- 0.98   4.037% * 15.1999% (0.76   0.74   0.02) =   0.783%  kept
          QE    LYS+  99 - HN    LEU  104   6.99 +/- 0.85   2.902% *  0.2023% (0.38   0.02  16.88) =   0.007%
          HB3   PHE   60 - HN    LEU  104  15.54 +/- 1.28   0.023% *  0.3052% (0.57   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU  104  16.90 +/- 1.54   0.013% *  0.5342% (0.99   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  13.81 +/- 0.90   0.045% *  0.0944% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 5.5, residual support = 35.4:
          HG12  ILE  103 - HN    LEU  104   4.32 +/- 0.27  77.878% * 83.3360% (0.97   5.64  36.89) =  95.979%  kept
          QB    LYS+ 102 - HN    LEU  104   5.67 +/- 0.44  17.852% * 15.1595% (0.49   2.04   0.02) =   4.002%  kept
          HB    VAL   41 - HN    LEU  104   7.43 +/- 1.05   3.858% *  0.3060% (1.00   0.02   0.02) =   0.017%
          HB2   LEU   71 - HN    LEU  104  11.56 +/- 0.88   0.238% *  0.1044% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LEU  104  14.02 +/- 1.21   0.081% *  0.2895% (0.95   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  15.51 +/- 1.75   0.050% *  0.2338% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  17.51 +/- 0.66   0.018% *  0.2222% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  17.53 +/- 0.97   0.019% *  0.1148% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  21.93 +/- 1.92   0.006% *  0.2338% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 26.5:
          QB    LEU   98 - HN    ILE  103   4.05 +/- 0.71  99.653% * 87.6305% (0.61   1.58  26.54) =  99.994%  kept
          HD3   LYS+ 121 - HN    ILE  103  13.20 +/- 1.63   0.209% *  1.6448% (0.90   0.02   0.02) =   0.004%
          QB    ALA  110 - HN    ILE  103  17.51 +/- 1.29   0.024% *  1.4686% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  103  17.73 +/- 2.57   0.035% *  0.7540% (0.41   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  103  19.31 +/- 1.34   0.015% *  1.5909% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  103  20.72 +/- 2.67   0.010% *  1.7977% (0.98   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  103  20.35 +/- 3.24   0.012% *  1.4016% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  103  20.45 +/- 0.63   0.009% *  1.5909% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  19.31 +/- 0.73   0.013% *  1.0383% (0.57   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  19.21 +/- 1.38   0.016% *  0.4573% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  25.48 +/- 2.37   0.003% *  0.6256% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 3 structures by 0.20 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.73, support = 5.16, residual support = 32.8:
          QD2   LEU  104 - HN    ILE  103   4.78 +/- 0.98  26.838% * 79.6078% (1.00   5.60  36.89) =  60.910%  kept
          QD1   LEU   98 - HN    ILE  103   3.65 +/- 0.90  69.917% * 19.6084% (0.31   4.47  26.54) =  39.084%  kept
          QG1   VAL   41 - HN    ILE  103   6.80 +/- 0.71   2.525% *  0.0563% (0.20   0.02   0.02) =   0.004%
          QG1   VAL   43 - HN    ILE  103   8.89 +/- 1.32   0.693% *  0.0970% (0.34   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    ILE  103  16.51 +/- 0.78   0.010% *  0.2744% (0.97   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  17.33 +/- 1.28   0.008% *  0.1953% (0.69   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  17.33 +/- 0.95   0.008% *  0.1610% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.411, support = 6.86, residual support = 217.7:
          QD1   LEU  104 - HN    LEU  104   4.04 +/- 0.47  94.946% * 97.1175% (0.41   6.86 217.72) =  99.983%  kept
          QD1   LEU   63 - HN    LEU  104   9.67 +/- 1.04   0.671% *  0.6642% (0.97   0.02   0.02) =   0.005%
          QG2   VAL   41 - HN    LEU  104   7.56 +/- 0.75   3.148% *  0.1362% (0.20   0.02   0.02) =   0.005%
          QD2   LEU   63 - HN    LEU  104   9.70 +/- 1.50   0.758% *  0.4998% (0.73   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    LEU  104  11.32 +/- 0.54   0.233% *  0.6642% (0.97   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU  104  12.52 +/- 1.99   0.217% *  0.4728% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU  104  16.63 +/- 2.34   0.027% *  0.4452% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.554, support = 4.83, residual support = 22.6:
          QD2   LEU  104 - HN    ASP- 105   4.24 +/- 0.52  72.977% * 27.6431% (0.18   6.48  39.43) =  50.906%  kept
          QD1   LEU   98 - HN    ASP- 105   5.35 +/- 0.80  26.991% * 72.0810% (0.95   3.13   5.13) =  49.094%  kept
          QG2   ILE   19 - HN    ASP- 105  15.65 +/- 0.70   0.032% *  0.2759% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.897, support = 4.02, residual support = 135.7:
          HG3   LYS+ 106 - HN    LYS+ 106   2.77 +/- 0.75  94.645% * 95.5334% (0.90   4.02 135.68) =  99.993%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   6.85 +/- 1.53   4.669% *  0.0928% (0.18   0.02   0.02) =   0.005%
          QB    LEU   98 - HN    LYS+ 106   9.15 +/- 0.41   0.245% *  0.2179% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LYS+ 106  12.68 +/- 1.76   0.069% *  0.5253% (0.99   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+ 106   9.16 +/- 1.12   0.245% *  0.1180% (0.22   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 106  11.71 +/- 0.63   0.045% *  0.5288% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.99 +/- 1.54   0.011% *  0.5115% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  12.43 +/- 0.55   0.027% *  0.1808% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  15.80 +/- 1.11   0.009% *  0.5288% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  14.38 +/- 1.14   0.021% *  0.0818% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  16.69 +/- 1.79   0.006% *  0.1636% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  19.74 +/- 1.37   0.002% *  0.5288% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  21.10 +/- 0.68   0.001% *  0.5195% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.63 +/- 0.37   0.003% *  0.1049% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  27.01 +/- 2.11   0.000% *  0.3641% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.56 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   4.36 +/- 0.61  99.270% * 97.0515% (0.53   2.85  26.83) =  99.994%  kept
          HG    LEU   63 - HN    LYS+ 106  11.70 +/- 1.68   0.488% *  0.9394% (0.73   0.02   0.02) =   0.005%
          QG2   VAL   24 - HN    LYS+ 106  17.57 +/- 2.03   0.046% *  1.1222% (0.87   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    LYS+ 106  15.21 +/- 1.44   0.072% *  0.3993% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LYS+ 106  15.25 +/- 1.67   0.090% *  0.1996% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  18.07 +/- 2.59   0.034% *  0.2880% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 1 structures by 0.12 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 62.1:
          QG1   VAL  108 - HN    VAL  108   3.61 +/- 0.05  99.834% * 99.4338% (0.98   4.52  62.13) = 100.000%  kept
          QD1   LEU   40 - HN    VAL  108  12.01 +/- 0.36   0.076% *  0.2183% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL  108  13.10 +/- 1.66   0.061% *  0.2360% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  15.68 +/- 2.56   0.029% *  0.1118% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (0.63, 7.72, 122.85 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.98, residual support = 7.84:
          QG2   ILE   89 - HN    ALA   91   3.36 +/- 0.68  98.010% * 99.4078% (1.00   2.98   7.84) =  99.998%  kept
          QG1   VAL   83 - HN    TRP   27   7.75 +/- 2.90   1.735% *  0.0433% (0.07   0.02   0.81) =   0.001%
          QG1   VAL   83 - HN    ALA   91  10.67 +/- 0.99   0.209% *  0.3508% (0.53   0.02   0.02) =   0.001%
          QG2   ILE   89 - HN    TRP   27  13.20 +/- 1.22   0.035% *  0.0824% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  21.02 +/- 1.21   0.002% *  0.1029% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.49 +/- 1.10   0.008% *  0.0127% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 5.31, residual support = 38.0:
          HG3   LYS+  99 - HN    GLU- 100   3.72 +/- 0.60  63.956% * 94.9813% (0.45   5.33  38.17) =  99.628%  kept
          QB    ALA   34 - HN    GLU- 100   4.63 +/- 0.71  25.860% *  0.5771% (0.73   0.02   0.02) =   0.245%
          HG3   LYS+  38 - HN    GLU- 100   6.18 +/- 1.42   7.048% *  0.7877% (0.99   0.02   0.02) =   0.091%
          QG2   THR   39 - HN    GLU- 100   6.48 +/- 0.62   2.762% *  0.7518% (0.95   0.02   0.02) =   0.034%
          HG    LEU   71 - HN    GLU- 100   9.24 +/- 1.33   0.346% *  0.2983% (0.38   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    GLU- 100  15.62 +/- 1.30   0.014% *  0.5141% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  18.78 +/- 1.40   0.005% *  0.7128% (0.90   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  21.83 +/- 1.41   0.002% *  0.7518% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  19.09 +/- 1.10   0.004% *  0.3267% (0.41   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  19.42 +/- 1.08   0.004% *  0.2983% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 1 structures by 0.10 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   4.37 +/- 0.12  99.737% * 76.1174% (0.57   0.99   5.56) =  99.994%  kept
          HB3   LEU   73 - HN    LYS+  81  14.70 +/- 1.14   0.079% *  2.5148% (0.92   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LYS+  81  16.52 +/- 1.14   0.038% *  1.6523% (0.61   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LYS+  81  14.93 +/- 1.13   0.073% *  0.6065% (0.22   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  81  20.04 +/- 1.35   0.012% *  2.3631% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  81  22.26 +/- 2.49   0.008% *  2.7242% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  21.98 +/- 2.51   0.008% *  2.1814% (0.80   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  20.56 +/- 2.52   0.012% *  1.2214% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  19.31 +/- 1.83   0.016% *  0.5391% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  25.30 +/- 1.30   0.003% *  2.3631% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  27.10 +/- 2.94   0.002% *  2.5770% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  26.86 +/- 2.11   0.002% *  2.6703% (0.98   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  26.26 +/- 2.66   0.003% *  1.1200% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  22.51 +/- 1.43   0.006% *  0.4203% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  29.89 +/- 1.41   0.001% *  0.9293% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.9, residual support = 217.3:
          QD1   ILE   89 - HN    ILE   89   2.54 +/- 0.57  98.355% * 99.3855% (0.92   5.90 217.33) =  99.994%  kept
          QG2   VAL   83 - HN    ILE   89   5.83 +/- 0.68   1.638% *  0.3639% (1.00   0.02   0.02) =   0.006%
          QD2   LEU   31 - HN    ILE   89  14.40 +/- 2.15   0.007% *  0.2505% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.368, support = 3.98, residual support = 9.26:
          QB    ALA   88 - HN    ILE   89   3.45 +/- 0.27  64.544% * 58.5216% (0.34   4.59   8.27) =  75.088%  kept
          QB    ALA   84 - HN    ILE   89   4.00 +/- 0.61  35.196% * 35.5995% (0.45   2.13  12.23) =  24.908%  kept
          HB3   LEU   80 - HN    ILE   89   9.29 +/- 1.00   0.199% *  0.7324% (0.98   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    ILE   89  13.89 +/- 1.59   0.016% *  0.6241% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ILE   89  12.39 +/- 1.00   0.029% *  0.3072% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  17.89 +/- 2.96   0.005% *  0.7324% (0.98   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ILE   89  17.21 +/- 2.99   0.005% *  0.4230% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  18.76 +/- 2.81   0.003% *  0.7455% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  20.68 +/- 2.04   0.001% *  0.6897% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  25.34 +/- 2.54   0.000% *  0.5983% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  27.06 +/- 1.69   0.000% *  0.5132% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  28.97 +/- 2.53   0.000% *  0.5132% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.609, support = 4.19, residual support = 35.3:
          QB    ALA   91 - HN    GLN   90   4.66 +/- 0.58  48.234% * 61.1256% (0.84   3.04  31.98) =  61.398%  kept
          HG12  ILE   89 - HN    GLN   90   4.66 +/- 0.44  51.479% * 36.0068% (0.25   6.01  40.58) =  38.601%  kept
          QG2   ILE   56 - HN    GLN   90  12.08 +/- 1.60   0.180% *  0.1805% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    GLN   90  15.02 +/- 1.96   0.054% *  0.4439% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    GLN   90  17.00 +/- 2.42   0.035% *  0.0952% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  23.61 +/- 1.73   0.003% *  0.4809% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  23.07 +/- 1.60   0.003% *  0.4017% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  24.38 +/- 1.77   0.002% *  0.4313% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  20.20 +/- 1.57   0.008% *  0.1071% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  27.26 +/- 1.30   0.001% *  0.4549% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  31.42 +/- 1.85   0.001% *  0.2723% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (2.24, 7.39, 112.01 ppm):
    11 chemical-shift based assignments, quality = 0.341, support = 3.03, residual support = 95.5:
      O   QG    GLN   90 - HE21  GLN   90   2.21 +/- 0.12  99.942% * 98.4545% (0.34  10.0   3.03  95.54) = 100.000%  kept
          HG3   MET   92 - HE21  GLN   90  10.41 +/- 2.87   0.055% *  0.2886% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HE21  GLN   90  14.51 +/- 1.81   0.002% *  0.1634% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HE21  GLN   90  18.77 +/- 1.40   0.000% *  0.0571% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HE21  GLN   90  25.30 +/- 2.56   0.000% *  0.2829% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HE21  GLN   90  24.26 +/- 1.10   0.000% *  0.2311% (0.80   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HE21  GLN   90  24.76 +/- 1.16   0.000% *  0.1983% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HE21  GLN   90  24.47 +/- 1.45   0.000% *  0.0803% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HE21  GLN   90  32.44 +/- 1.93   0.000% *  0.1405% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HE21  GLN   90  30.39 +/- 2.75   0.000% *  0.0643% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HE21  GLN   90  29.30 +/- 2.20   0.000% *  0.0391% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (2.15, 8.62, 127.39 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 95.5:
      O   HB2   GLN   90 - HN    GLN   90   3.36 +/- 0.45  99.917% * 99.4917% (0.73  10.0   5.59  95.54) = 100.000%  kept
          HB3   GLU-  79 - HN    GLN   90  12.96 +/- 1.41   0.080% *  0.1343% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  24.55 +/- 1.81   0.001% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  23.57 +/- 1.65   0.001% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  27.13 +/- 1.93   0.001% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  28.95 +/- 1.95   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  31.82 +/- 1.76   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.858, support = 5.41, residual support = 39.0:
          QD2   LEU   73 - HN    PHE   72   3.58 +/- 1.06  82.290% * 89.6335% (0.87   5.48  39.64) =  98.140%  kept
          QG2   VAL   18 - HN    PHE   72   5.51 +/- 0.61  15.159% *  9.1790% (0.34   1.43   6.77) =   1.851%  kept
          QG1   VAL   41 - HN    PHE   72   7.86 +/- 0.65   0.949% *  0.2880% (0.76   0.02   0.02) =   0.004%
          QG1   VAL   43 - HN    PHE   72   7.75 +/- 0.58   1.210% *  0.2133% (0.57   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    PHE   72  10.31 +/- 0.98   0.178% *  0.3637% (0.97   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    PHE   72  11.14 +/- 0.58   0.156% *  0.0940% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    PHE   72  13.58 +/- 1.23   0.057% *  0.2285% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.56, residual support = 38.8:
          QB    ALA   64 - HN    PHE   72   5.06 +/- 0.96  99.876% * 99.8634% (1.00   2.56  38.83) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.46 +/- 0.42   0.124% *  0.1366% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 9 structures by 0.72 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 8.39:
          HB    ILE   19 - HN    LYS+  74   4.28 +/- 0.53  98.368% * 95.9634% (0.71   2.61   8.39) =  99.992%  kept
          HB2   GLN   17 - HN    LYS+  74   9.48 +/- 0.81   0.960% *  0.4465% (0.43   0.02   0.02) =   0.005%
          HB3   GLU-  25 - HN    LYS+  74  12.86 +/- 0.90   0.239% *  0.5894% (0.57   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    LYS+  74  12.19 +/- 0.65   0.229% *  0.4465% (0.43   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+  74  16.93 +/- 0.81   0.033% *  0.7215% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  16.81 +/- 1.47   0.069% *  0.2763% (0.27   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LYS+  74  18.56 +/- 0.78   0.019% *  0.7345% (0.71   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+  74  16.80 +/- 1.28   0.048% *  0.1835% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  17.87 +/- 1.44   0.028% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  22.14 +/- 1.32   0.007% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 2 structures by 0.13 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.373, support = 5.39, residual support = 40.4:
          QD1   LEU   73 - HN    LYS+  74   4.76 +/- 0.28  89.982% * 97.1047% (0.37   5.39  40.40) =  99.938%  kept
          QD2   LEU   80 - HN    LYS+  74   8.03 +/- 1.71   6.828% *  0.6142% (0.64   0.02   0.02) =   0.048%
          QG1   VAL   83 - HN    LYS+  74  10.66 +/- 2.12   1.054% *  0.5234% (0.54   0.02   0.02) =   0.006%
          QD1   LEU   63 - HN    LYS+  74  10.01 +/- 1.05   1.330% *  0.3603% (0.37   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    LYS+  74  14.20 +/- 1.92   0.201% *  0.5941% (0.61   0.02   0.02) =   0.001%
          QG2   ILE   89 - HN    LYS+  74  11.77 +/- 1.38   0.521% *  0.1199% (0.12   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LYS+  74  15.46 +/- 0.78   0.083% *  0.6833% (0.71   0.02   0.02) =   0.001%
    Distance limit 4.51 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.343, support = 4.58, residual support = 28.2:
          QG2   THR   77 - HN    ASP-  78   4.03 +/- 0.11  83.679% * 77.8232% (0.34   4.61  28.32) =  99.353%  kept
          HB3   LEU   80 - HN    ASP-  78   7.42 +/- 0.56   2.493% * 16.1000% (0.69   0.47   3.69) =   0.612%  kept
          QB    ALA   84 - HN    ASP-  78   5.50 +/- 0.29  13.447% *  0.1527% (0.15   0.02   0.02) =   0.031%
          QB    ALA   88 - HN    ASP-  78  11.58 +/- 0.41   0.151% *  0.7189% (0.73   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    ASP-  78  11.29 +/- 0.83   0.198% *  0.4438% (0.45   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ASP-  78  18.72 +/- 1.00   0.009% *  0.8269% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  18.64 +/- 0.95   0.009% *  0.5605% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  78  21.67 +/- 1.85   0.004% *  0.8878% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  19.72 +/- 1.96   0.007% *  0.2204% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  26.94 +/- 0.82   0.001% *  0.9900% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  29.23 +/- 0.49   0.001% *  0.9704% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  27.19 +/- 1.43   0.001% *  0.3055% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.22 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   4.85 +/- 1.34  99.357% * 94.7883% (0.92   0.75   0.75) =  99.982%  kept
          QG1   VAL   42 - HN    ASP-  78  13.68 +/- 0.77   0.594% *  2.6840% (0.98   0.02   0.02) =   0.017%
          HG2   LYS+ 112 - HN    ASP-  78  21.47 +/- 1.97   0.049% *  2.5277% (0.92   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 6 structures by 0.67 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 = 0.611, support = 4.28, residual support = 23.9:
          HB    THR   77 - HN    ASP-  78   4.07 +/- 0.18  75.477% * 37.3769% (0.45   4.61  28.32) =  65.837%  kept
          HA    GLU-  79 - HN    ASP-  78   4.94 +/- 0.11  24.036% * 60.8991% (0.92   3.65  15.26) =  34.161%  kept
          HA1   GLY   51 - HN    ASP-  78  13.28 +/- 1.78   0.110% *  0.3609% (1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  78  11.33 +/- 0.40   0.170% *  0.1622% (0.45   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ASP-  78  13.85 +/- 1.51   0.059% *  0.3244% (0.90   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  78  11.67 +/- 0.52   0.140% *  0.1358% (0.38   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  22.26 +/- 1.28   0.003% *  0.2048% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  25.61 +/- 0.37   0.001% *  0.3491% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  26.15 +/- 1.05   0.001% *  0.0634% (0.18   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  33.17 +/- 3.27   0.000% *  0.1234% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 37.4:
      O   HA    ASP-  78 - HN    ASP-  78   2.83 +/- 0.02  99.463% * 99.8154% (1.00  10.0   4.57  37.35) = 100.000%  kept
          HA    LEU   80 - HN    ASP-  78   7.02 +/- 0.26   0.439% *  0.0486% (0.49   1.0   0.02   3.69) =   0.000%
          HA    THR   23 - HN    ASP-  78   9.61 +/- 0.99   0.077% *  0.0866% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78  11.96 +/- 1.11   0.020% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  23.11 +/- 1.04   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 8.07, residual support = 210.8:
      O   HA    ILE  119 - HN    ILE  119   2.83 +/- 0.03  73.260% * 50.7779% (1.00  10.0   8.80 256.40) =  79.240%  kept
      O   HA    THR  118 - HN    ILE  119   3.52 +/- 0.03  19.888% * 49.0042% (0.97  10.0   5.29  36.84) =  20.760%  kept
          HA    VAL   75 - HN    CYS   21   4.37 +/- 0.51   6.789% *  0.0028% (0.06   1.0   0.02   2.48) =   0.000%
          HA2   GLY  109 - HN    ILE  119  12.91 +/- 1.89   0.054% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  14.01 +/- 1.68   0.006% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  17.92 +/- 0.79   0.001% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  22.42 +/- 2.00   0.000% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.19 +/- 1.24   0.001% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  24.75 +/- 1.44   0.000% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.16 +/- 1.06   0.000% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  19.92 +/- 0.88   0.001% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  21.06 +/- 1.41   0.000% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.719, support = 5.51, residual support = 31.3:
          HB2   CYS   53 - HN    ARG+  54   3.03 +/- 0.14  93.891% * 83.8193% (0.72   5.53  31.60) =  99.151%  kept
          HD3   PRO   52 - HN    ARG+  54   5.05 +/- 0.11   4.563% * 14.7064% (0.26   2.67   1.75) =   0.845%  kept
          HD2   PRO   58 - HN    ARG+  54   7.68 +/- 1.66   0.685% *  0.3661% (0.87   0.02   0.02) =   0.003%
          HD2   PRO   58 - HN    ASP-  62   6.69 +/- 0.39   0.834% *  0.0685% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  12.83 +/- 1.03   0.020% *  0.0567% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  19.83 +/- 1.34   0.001% *  0.3440% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  17.13 +/- 0.86   0.003% *  0.0206% (0.05   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  21.99 +/- 0.98   0.001% *  0.0620% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  29.27 +/- 0.88   0.000% *  0.3313% (0.79   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  25.27 +/- 1.17   0.000% *  0.1353% (0.32   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  19.96 +/- 0.98   0.001% *  0.0253% (0.06   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  23.89 +/- 1.71   0.000% *  0.0644% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 1.43, residual support = 3.35:
          QG2   VAL   18 - HN    ALA   61   5.23 +/- 0.82  83.076% * 94.0306% (0.95   1.44   3.35) =  99.764%  kept
          QG2   THR   46 - HN    ALA   61   7.58 +/- 1.20  13.196% *  1.2002% (0.87   0.02   0.02) =   0.202%
          QG1   VAL   43 - HN    ALA   61  11.59 +/- 0.78   0.842% *  1.3805% (1.00   0.02   0.02) =   0.015%
          QD2   LEU   73 - HN    ALA   61  10.40 +/- 1.07   1.818% *  0.3450% (0.25   0.02   0.02) =   0.008%
          QD1   ILE   19 - HN    ALA   61  11.99 +/- 1.31   0.696% *  0.7279% (0.53   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    ALA   61  14.85 +/- 0.65   0.200% *  1.2772% (0.92   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    ALA   61  16.56 +/- 1.17   0.113% *  0.5193% (0.38   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ALA   61  18.20 +/- 1.05   0.058% *  0.5193% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 5 structures by 0.75 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   4.08 +/- 0.07  95.843% * 98.3847% (0.92   4.96  51.91) =  99.992%  kept
          HB2   LYS+  38 - HN    ASN   35   7.23 +/- 0.27   3.251% *  0.1195% (0.28   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    ASN   35   9.36 +/- 0.36   0.682% *  0.4258% (0.99   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ASN   35  11.31 +/- 0.38   0.218% *  0.3120% (0.73   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ASN   35  21.25 +/- 1.53   0.005% *  0.3727% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  28.90 +/- 1.68   0.001% *  0.3853% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 43.6:
      O   QB    MET   11 - HN    MET   11   3.03 +/- 0.37  99.882% * 99.3665% (0.69  10.0   3.00  43.63) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11  10.81 +/- 1.01   0.076% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  18.49 +/- 4.45   0.010% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  13.64 +/- 1.46   0.022% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  27.58 +/- 4.88   0.009% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  31.15 +/- 4.01   0.000% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  28.42 +/- 2.91   0.000% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  35.65 +/- 2.75   0.000% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  41.57 +/- 3.13   0.000% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  41.16 +/- 3.39   0.000% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 43.6:
          HG2   MET   11 - HN    MET   11   4.19 +/- 0.17  99.509% * 97.3781% (0.92   3.31  43.63) =  99.997%  kept
          HB2   GLU-  14 - HN    MET   11  11.31 +/- 1.35   0.364% *  0.6025% (0.95   0.02   0.02) =   0.002%
          QB    GLN   32 - HN    MET   11  20.19 +/- 4.46   0.113% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    MET   11  21.42 +/- 3.02   0.008% *  0.3100% (0.49   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  30.47 +/- 4.30   0.005% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  34.44 +/- 2.31   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  41.03 +/- 3.55   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  36.03 +/- 3.12   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 43.6:
          HG3   MET   11 - HN    MET   11   2.89 +/- 0.47  99.955% * 98.0255% (0.92   3.31  43.63) = 100.000%  kept
          HB3   GLU-  14 - HN    MET   11  11.68 +/- 1.26   0.036% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   11  22.60 +/- 4.08   0.008% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  23.53 +/- 3.75   0.001% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  32.51 +/- 2.49   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  25.33 +/- 2.90   0.000% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  32.18 +/- 3.31   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  40.45 +/- 3.29   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.947, support = 0.0199, residual support = 0.0199:
          HG2   LYS+  33 - HN    MET   11  18.69 +/- 4.36  79.155% * 22.9200% (1.00   0.02   0.02) =  87.369%  kept
          HD3   LYS+  74 - HN    MET   11  28.22 +/- 2.75   8.688% * 12.0587% (0.53   0.02   0.02) =   5.045%  kept
          QG    LYS+  81 - HN    MET   11  32.69 +/- 3.41   3.443% * 19.1444% (0.84   0.02   0.02) =   3.174%  kept
          HG    LEU  104 - HN    MET   11  31.76 +/- 3.22   3.694% *  8.6021% (0.38   0.02   0.02) =   1.530%  kept
          HG2   LYS+ 106 - HN    MET   11  36.49 +/- 3.27   1.637% * 17.5161% (0.76   0.02   0.02) =   1.381%  kept
          HB3   LYS+ 121 - HN    MET   11  34.43 +/- 2.81   2.586% *  8.6021% (0.38   0.02   0.02) =   1.071%  kept
          HB3   LYS+ 111 - HN    MET   11  41.97 +/- 2.98   0.798% * 11.1564% (0.49   0.02   0.02) =   0.429%
    Distance limit 4.24 A violated in 20 structures by 13.60 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.59, residual support = 12.2:
          HG2   MET   11 - HN    ALA   12   4.07 +/- 0.36  95.335% * 97.8452% (0.72   3.59  12.23) =  99.973%  kept
          HB2   GLU-  14 - HN    ALA   12   7.85 +/- 1.36   4.645% *  0.5432% (0.72   0.02   0.02) =   0.027%
          HB2   PRO   68 - HN    ALA   12  18.21 +/- 3.10   0.018% *  0.1514% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  31.06 +/- 1.90   0.001% *  0.5337% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  32.73 +/- 2.50   0.000% *  0.2238% (0.30   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  37.85 +/- 2.67   0.000% *  0.5337% (0.71   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  35.04 +/- 2.19   0.000% *  0.0953% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  35.83 +/- 2.91   0.000% *  0.0737% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.3, residual support = 12.3:
      O   QB    ALA   12 - HN    ALA   12   2.76 +/- 0.23  99.988% * 99.1918% (0.68  10.0   2.30  12.28) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  16.46 +/- 3.24   0.008% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  21.46 +/- 3.03   0.001% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  21.32 +/- 2.32   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  21.95 +/- 2.24   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  23.70 +/- 2.36   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  22.31 +/- 1.97   0.000% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  31.57 +/- 3.55   0.000% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  29.63 +/- 4.02   0.000% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  32.95 +/- 2.31   0.000% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  32.87 +/- 2.77   0.000% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  37.98 +/- 2.26   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  32.75 +/- 2.40   0.000% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 5.17:
          QB    ALA   12 - HN    SER   13   2.39 +/- 0.23  99.994% * 91.5358% (0.95   1.76   5.17) = 100.000%  kept
          HG3   LYS+  33 - HN    SER   13  15.11 +/- 2.26   0.003% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  18.83 +/- 2.53   0.001% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   13  18.16 +/- 2.24   0.001% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  19.35 +/- 1.75   0.000% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  19.39 +/- 1.68   0.000% *  0.4924% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  21.86 +/- 1.84   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  29.88 +/- 2.86   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  27.19 +/- 3.23   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  30.45 +/- 1.91   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  30.46 +/- 2.53   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  34.93 +/- 2.59   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  29.70 +/- 2.33   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 6.68:
          QB    SER   13 - HN    GLU-  14   3.06 +/- 0.61  99.860% * 95.5790% (0.45   2.47   6.68) =  99.999%  kept
          HB3   SER   37 - HN    GLU-  14  12.39 +/- 2.13   0.092% *  0.9990% (0.58   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLU-  14  12.95 +/- 1.79   0.047% *  0.8216% (0.48   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLU-  14  26.40 +/- 1.50   0.000% *  1.1934% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  31.71 +/- 2.83   0.000% *  0.9990% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  29.31 +/- 2.76   0.000% *  0.4080% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 0.521, support = 3.72, residual support = 43.7:
          QG    GLU-  14 - HN    GLU-  14   3.94 +/- 0.49  74.476% * 71.9377% (0.53   3.95  48.56) =  89.655%  kept
          QG    GLU-  15 - HN    GLU-  14   5.20 +/- 0.98  24.170% * 25.5700% (0.42   1.77   1.11) =  10.342%  kept
          QB    MET   11 - HN    GLU-  14   8.12 +/- 0.62   1.266% *  0.0943% (0.14   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    GLU-  14  13.30 +/- 1.15   0.062% *  0.3981% (0.58   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  14  16.85 +/- 1.90   0.015% *  0.3461% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  18.87 +/- 1.32   0.008% *  0.3461% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  24.07 +/- 1.33   0.002% *  0.4724% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  30.57 +/- 2.32   0.000% *  0.4274% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  26.07 +/- 1.86   0.001% *  0.1188% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  32.24 +/- 1.38   0.000% *  0.2891% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.85, residual support = 48.6:
      O   HB2   GLU-  14 - HN    GLU-  14   3.21 +/- 0.43  99.701% * 99.6047% (0.70  10.0   3.85  48.56) = 100.000%  kept
          HG2   MET   11 - HN    GLU-  14   9.48 +/- 0.91   0.211% *  0.0998% (0.70   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU-  14  13.21 +/- 2.85   0.087% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  24.90 +/- 1.44   0.001% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  26.49 +/- 1.60   0.001% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  31.80 +/- 2.20   0.000% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  29.03 +/- 1.95   0.000% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  29.75 +/- 2.02   0.000% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 3.86, residual support = 48.6:
      O   HB3   GLU-  14 - HN    GLU-  14   3.33 +/- 0.25  99.797% * 99.6986% (0.62  10.0   3.86  48.56) = 100.000%  kept
          HG3   MET   11 - HN    GLU-  14   9.87 +/- 0.90   0.195% *  0.0807% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    GLU-  14  17.11 +/- 1.73   0.007% *  0.0850% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  23.22 +/- 1.52   0.001% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  29.22 +/- 2.12   0.000% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.5, residual support = 84.3:
          QG    GLN   17 - HN    GLN   17   3.11 +/- 0.54  99.667% * 98.8145% (1.00   5.50  84.34) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   9.09 +/- 1.06   0.310% *  0.3528% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  16.77 +/- 0.86   0.006% *  0.2328% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  19.49 +/- 0.43   0.002% *  0.3567% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  16.74 +/- 1.20   0.007% *  0.1001% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  18.17 +/- 1.24   0.004% *  0.0801% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  18.21 +/- 0.86   0.004% *  0.0630% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.07, residual support = 82.0:
      O   HB2   GLN   17 - HN    GLN   17   3.51 +/- 0.52  73.335% * 91.6397% (0.92  10.0   5.17  84.34) =  97.240%  kept
          QB    GLU-  15 - HN    GLN   17   4.30 +/- 0.26  24.250% *  7.8592% (0.92   1.0   1.72   0.02) =   2.758%  kept
          HB    ILE   19 - HN    GLN   17   7.26 +/- 0.61   1.133% *  0.0795% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    GLN   17   9.54 +/- 2.70   1.026% *  0.0562% (0.57   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLN   17  10.55 +/- 1.68   0.173% *  0.0721% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLN   17  11.44 +/- 0.85   0.078% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  19.81 +/- 0.59   0.003% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  21.87 +/- 1.22   0.002% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  26.17 +/- 1.67   0.001% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 84.3:
      O   HB3   GLN   17 - HN    GLN   17   3.04 +/- 0.41  99.201% * 99.6298% (0.98  10.0   5.17  84.34) =  99.999%  kept
          HB2   LEU   71 - HN    GLN   17   9.37 +/- 1.35   0.350% *  0.0777% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    GLN   17   8.50 +/- 1.05   0.335% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    GLN   17  10.17 +/- 0.90   0.099% *  0.0178% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  15.54 +/- 0.88   0.008% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  17.58 +/- 1.57   0.004% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  20.44 +/- 1.51   0.002% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  21.64 +/- 1.23   0.001% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  22.88 +/- 0.75   0.001% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.975, support = 1.96, residual support = 6.27:
          QB    GLU-  15 - HN    GLY   16   2.55 +/- 0.44  97.515% * 39.2671% (0.98   1.94   6.02) =  97.631%  kept
          HB2   GLN   17 - HN    GLY   16   5.81 +/- 0.56   1.583% * 58.5406% (0.98   2.90  16.50) =   2.363%  kept
          HB3   PRO   68 - HN    GLY   16   8.40 +/- 2.37   0.567% *  0.3238% (0.78   0.02   0.02) =   0.005%
          HB    ILE   19 - HN    GLY   16   8.42 +/- 0.75   0.179% *  0.2289% (0.55   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLY   16   9.46 +/- 1.53   0.097% *  0.1968% (0.47   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLY   16  11.88 +/- 0.82   0.019% *  0.1662% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  12.01 +/- 1.31   0.037% *  0.0708% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  20.61 +/- 0.82   0.001% *  0.3825% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  17.90 +/- 1.26   0.002% *  0.0900% (0.22   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  22.37 +/- 1.26   0.000% *  0.2616% (0.63   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  18.64 +/- 1.49   0.001% *  0.0708% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  26.96 +/- 1.65   0.000% *  0.4008% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.17 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   3.58 +/- 0.37  99.713% * 98.7514% (0.70   5.81  50.10) =  99.999%  kept
          HB    VAL   70 - HN    VAL   18  10.42 +/- 1.01   0.251% *  0.3028% (0.62   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   18  18.74 +/- 0.48   0.006% *  0.3909% (0.81   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   18  15.58 +/- 0.88   0.019% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  19.75 +/- 0.94   0.004% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  18.45 +/- 0.94   0.007% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 77.2:
      O   HB    VAL   18 - HN    VAL   18   2.47 +/- 0.41  99.400% * 99.4605% (0.70  10.0   4.99  77.16) = 100.000%  kept
          HB2   LEU   67 - HN    VAL   18   8.56 +/- 1.43   0.143% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    VAL   18   6.67 +/- 0.29   0.425% *  0.0305% (0.21   1.0   0.02  22.44) =   0.000%
          HG2   PRO   68 - HN    VAL   18  12.48 +/- 1.75   0.025% *  0.0381% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  14.67 +/- 1.43   0.004% *  0.1264% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  18.30 +/- 1.70   0.001% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  18.27 +/- 1.97   0.001% *  0.0614% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  19.93 +/- 1.15   0.001% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 5.47, residual support = 50.1:
          HB3   GLN   17 - HN    VAL   18   3.49 +/- 0.61  98.196% * 93.7827% (0.33   5.47  50.10) =  99.983%  kept
          QB    LYS+  65 - HN    VAL   18   7.59 +/- 1.17   1.384% *  0.9011% (0.87   0.02   0.10) =   0.014%
          QB    LYS+  66 - HN    VAL   18  10.14 +/- 0.87   0.215% *  0.8392% (0.81   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    VAL   18  10.60 +/- 0.83   0.160% *  0.8715% (0.84   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    VAL   18  15.11 +/- 0.90   0.020% *  0.6500% (0.62   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  18.24 +/- 1.35   0.007% *  0.9958% (0.96   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  21.16 +/- 1.30   0.003% *  0.9696% (0.93   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  18.32 +/- 2.23   0.008% *  0.2505% (0.24   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  20.15 +/- 0.67   0.003% *  0.4890% (0.47   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  20.67 +/- 1.74   0.004% *  0.2505% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.913, support = 5.26, residual support = 77.2:
          QG2   VAL   18 - HN    VAL   18   2.39 +/- 0.60  99.135% * 98.2946% (0.91   5.26  77.16) =  99.998%  kept
          QD1   ILE   19 - HN    VAL   18   6.29 +/- 1.04   0.529% *  0.2080% (0.51   0.02  22.44) =   0.001%
          QD2   LEU   73 - HN    VAL   18   7.29 +/- 0.70   0.265% *  0.0986% (0.24   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   18  10.06 +/- 0.91   0.044% *  0.3429% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18  11.53 +/- 0.67   0.017% *  0.3944% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  13.29 +/- 0.59   0.006% *  0.3649% (0.89   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  15.68 +/- 1.00   0.003% *  0.1484% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  17.61 +/- 1.14   0.001% *  0.1484% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.37 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   3.89 +/- 0.78  99.943% * 99.8615% (0.84   2.25   8.67) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  14.20 +/- 1.49   0.057% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 3 structures by 0.20 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.431, support = 4.14, residual support = 20.0:
          HN    PHE   59 - HN    PHE   60   2.85 +/- 0.08  83.881% * 64.1202% (0.44   4.22  20.26) =  95.653%  kept
          QE    PHE   59 - HN    THR  118   4.54 +/- 0.87  10.253% * 14.7185% (0.16   2.67  10.48) =   2.684%  kept
          QE    PHE   59 - HN    PHE   60   5.00 +/- 0.84   5.223% * 17.8945% (0.28   1.84  20.26) =   1.662%  kept
          HN    HIS  122 - HN    THR  118   6.81 +/- 0.15   0.466% *  0.1453% (0.21   0.02   2.80) =   0.001%
          HN    PHE   59 - HN    THR  118  10.49 +/- 1.14   0.042% *  0.1717% (0.25   0.02  10.48) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.87 +/- 0.41   0.097% *  0.0562% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  12.39 +/- 0.90   0.014% *  0.2572% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  13.11 +/- 1.13   0.010% *  0.1205% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  18.27 +/- 1.06   0.001% *  0.4174% (0.61   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  20.34 +/- 1.10   0.001% *  0.6510% (0.95   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  21.33 +/- 1.47   0.001% *  0.5510% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  13.49 +/- 1.23   0.009% *  0.0318% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  20.21 +/- 2.72   0.001% *  0.2332% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  20.99 +/- 4.51   0.001% *  0.1318% (0.19   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  26.33 +/- 4.31   0.000% *  0.4997% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 5.23, residual support = 41.9:
          HN    ALA   61 - HN    PHE   60   2.69 +/- 0.17  99.969% * 94.9785% (0.47   5.23  41.90) = 100.000%  kept
          HN    ALA   61 - HN    THR  118  12.91 +/- 0.83   0.010% *  0.2054% (0.26   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLU-  15  16.20 +/- 1.14   0.002% *  0.7788% (1.00   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  14.14 +/- 1.45   0.007% *  0.1541% (0.20   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  17.39 +/- 1.07   0.002% *  0.5952% (0.76   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  16.33 +/- 0.72   0.002% *  0.3602% (0.46   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  19.00 +/- 1.16   0.001% *  0.2778% (0.36   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  20.02 +/- 2.15   0.001% *  0.3153% (0.40   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  19.96 +/- 3.83   0.001% *  0.1782% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  19.64 +/- 1.50   0.001% *  0.2036% (0.26   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  17.71 +/- 1.76   0.002% *  0.0637% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  28.91 +/- 3.58   0.000% *  0.6755% (0.87   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  29.46 +/- 1.72   0.000% *  0.7719% (0.99   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  20.36 +/- 0.89   0.001% *  0.0719% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  20.11 +/- 3.08   0.001% *  0.0360% (0.05   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  24.48 +/- 1.03   0.000% *  0.1570% (0.20   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  27.05 +/- 2.94   0.000% *  0.1364% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  21.30 +/- 1.31   0.000% *  0.0406% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.94, residual support = 71.5:
      O   HB3   PHE   60 - HN    PHE   60   2.61 +/- 0.37  99.656% * 98.9222% (0.47  10.0   4.94  71.50) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   8.79 +/- 1.84   0.192% *  0.0529% (0.25   1.0   0.02   2.85) =   0.000%
          HB2   PHE   97 - HN    THR  118   9.12 +/- 1.47   0.107% *  0.0294% (0.14   1.0   0.02   1.64) =   0.000%
          HB3   PHE   60 - HN    THR  118  11.80 +/- 1.13   0.017% *  0.0559% (0.26   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  12.92 +/- 1.09   0.012% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  14.04 +/- 1.03   0.006% *  0.0936% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  17.23 +/- 1.08   0.002% *  0.2120% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  17.12 +/- 1.24   0.002% *  0.1032% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  16.55 +/- 1.36   0.003% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  21.05 +/- 1.54   0.001% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  18.80 +/- 1.50   0.001% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  24.23 +/- 1.43   0.000% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  21.93 +/- 1.27   0.000% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  23.71 +/- 1.30   0.000% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  24.34 +/- 1.58   0.000% *  0.0139% (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 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.0, residual support = 20.3:
          HB3   PHE   59 - HN    PHE   60   3.55 +/- 0.46  98.714% * 96.9639% (0.39   4.00  20.26) =  99.996%  kept
          HB3   PHE   59 - HN    THR  118   8.39 +/- 1.28   1.270% *  0.2740% (0.22   0.02  10.48) =   0.004%
          HB3   TRP   49 - HN    PHE   60  17.01 +/- 1.02   0.011% *  0.4648% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  21.10 +/- 1.11   0.003% *  1.0388% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  23.70 +/- 1.82   0.002% *  0.2626% (0.21   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  29.88 +/- 1.27   0.000% *  0.9959% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.13 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 = 2.91, residual support = 5.32:
        T HN    SER  117 - HN    THR  118   2.83 +/- 0.11  99.970% * 97.7507% (0.17 10.00   2.91   5.32) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.53 +/- 0.70   0.024% *  1.7701% (0.30 10.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  15.17 +/- 0.83   0.005% *  0.1969% (0.34  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  21.01 +/- 1.25   0.001% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  21.80 +/- 1.00   0.001% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  26.85 +/- 1.85   0.000% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 4.43, residual support = 36.8:
          QG2   THR  118 - HN    THR  118   3.43 +/- 0.24  98.459% * 99.1884% (0.13   4.43  36.83) =  99.987%  kept
          QG2   THR  118 - HN    PHE   60   7.67 +/- 1.10   1.541% *  0.8116% (0.23   0.02   0.02) =   0.013%
    Distance limit 3.99 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 = 0.12, support = 4.18, residual support = 50.5:
      O   HB    THR  118 - HN    THR  118   2.09 +/- 0.13  65.886% * 18.8464% (0.05  10.0   3.68  36.83) =  57.267%  kept
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.04  11.193% * 79.4057% (0.22  10.0   4.94  71.50) =  40.989%  kept
          QB    SER  117 - HN    THR  118   2.51 +/- 0.20  22.902% *  1.6510% (0.03   1.0   3.16   5.32) =   1.744%  kept
          HB    THR  118 - HN    PHE   60   9.79 +/- 1.38   0.011% *  0.0341% (0.09   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118  10.41 +/- 0.93   0.006% *  0.0438% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.76 +/- 0.61   0.002% *  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 = 3.72, residual support = 36.8:
      O   HA    THR  118 - HN    THR  118   2.83 +/- 0.03  89.804% * 75.0031% (0.14  10.0   3.70  36.83) =  99.031%  kept
          HA    ILE  119 - HN    THR  118   5.09 +/- 0.11   2.732% * 24.0173% (0.17   1.0   5.46  36.84) =   0.965%  kept
          HD3   PRO   58 - HN    PHE   60   4.62 +/- 0.58   6.052% *  0.0311% (0.06   1.0   0.02   0.02) =   0.003%
          HA2   GLY  109 - HN    THR  118  11.09 +/- 2.13   1.238% *  0.0440% (0.08   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    PHE   60   9.01 +/- 1.11   0.113% *  0.1594% (0.30   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    PHE   60  11.92 +/- 1.26   0.020% *  0.1358% (0.26   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  13.39 +/- 1.41   0.009% *  0.0797% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  13.21 +/- 0.81   0.010% *  0.0667% (0.13   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  12.14 +/- 1.33   0.017% *  0.0172% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  17.34 +/- 0.88   0.002% *  0.1484% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  18.09 +/- 1.04   0.001% *  0.1150% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  21.52 +/- 2.24   0.001% *  0.0635% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  20.12 +/- 0.77   0.001% *  0.0368% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  24.40 +/- 1.57   0.000% *  0.0820% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.989, support = 3.99, residual support = 20.3:
      O   HA    PHE   59 - HN    PHE   60   3.61 +/- 0.04  84.124% * 99.4803% (0.99  10.0   3.99  20.26) =  99.996%  kept
          HA    ILE   56 - HN    PHE   60   5.33 +/- 1.00  13.231% *  0.0154% (0.15   1.0   0.02   2.31) =   0.002%
          HA    ASP- 113 - HN    THR  118   6.93 +/- 0.64   1.974% *  0.0487% (0.48   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    THR  118   9.08 +/- 1.12   0.423% *  0.0802% (0.80   1.0   0.02  10.48) =   0.000%
          HA    ASP- 113 - HN    PHE   60  12.91 +/- 0.92   0.044% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    THR  118  11.14 +/- 1.64   0.162% *  0.0124% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  16.03 +/- 1.68   0.013% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.03 +/- 1.08   0.006% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  20.82 +/- 1.66   0.002% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  19.41 +/- 1.09   0.004% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  21.19 +/- 3.12   0.003% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  18.57 +/- 1.32   0.005% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  17.93 +/- 1.40   0.006% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  22.94 +/- 0.94   0.001% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  23.10 +/- 1.48   0.001% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  23.19 +/- 1.32   0.001% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  29.43 +/- 1.60   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  30.76 +/- 3.02   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.895, support = 4.75, residual support = 64.6:
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.04  33.799% * 94.1467% (0.96  10.0   4.94  71.50) =  89.651%  kept
          QB    SER  117 - HN    THR  118   2.51 +/- 0.20  66.018% *  5.5642% (0.36   1.0   3.16   5.32) =  10.349%  kept
          HA    LYS+ 121 - HN    THR  118   7.11 +/- 0.39   0.143% *  0.0138% (0.14   1.0   0.02   8.23) =   0.000%
          HA    PHE   60 - HN    THR  118  10.41 +/- 0.93   0.017% *  0.0759% (0.77   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.76 +/- 0.61   0.007% *  0.0437% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.35 +/- 0.46   0.008% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.49 +/- 0.87   0.003% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.30 +/- 0.77   0.004% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  16.55 +/- 0.89   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  15.16 +/- 1.09   0.002% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  19.93 +/- 1.68   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  24.71 +/- 1.30   0.000% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  24.27 +/- 1.55   0.000% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  23.86 +/- 1.40   0.000% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  28.44 +/- 2.35   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.485, support = 3.23, residual support = 17.0:
          HG12  ILE  119 - HN    THR  118   4.31 +/- 0.28  11.043% * 66.6226% (0.72   4.94  36.84) =  37.784%  kept
          QG    GLU-  14 - HN    GLU-  15   3.36 +/- 0.72  49.916% * 14.5971% (0.36   2.13   1.11) =  37.420%  kept
          QG    GLU-  15 - HN    GLU-  15   3.61 +/- 0.72  35.358% * 13.6385% (0.32   2.29  10.90) =  24.766%  kept
          HB2   ASP-  44 - HN    PHE   60   7.06 +/- 0.99   0.663% *  0.3349% (0.89   0.02   2.22) =   0.011%
          HG12  ILE  119 - HN    PHE   60   7.35 +/- 0.88   0.575% *  0.3349% (0.89   0.02   0.02) =   0.010%
          HB2   ASP- 105 - HN    THR  118   6.15 +/- 1.54   2.114% *  0.0407% (0.11   0.02   4.80) =   0.004%
          HB3   PHE   72 - HN    PHE   60   9.04 +/- 1.06   0.156% *  0.3604% (0.96   0.02   8.57) =   0.003%
          HB3   PHE   72 - HN    GLU-  15  10.70 +/- 1.19   0.057% *  0.1433% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    THR  118  13.54 +/- 0.93   0.012% *  0.2699% (0.72   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  15  10.94 +/- 0.93   0.049% *  0.0507% (0.13   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  15.46 +/- 1.22   0.007% *  0.2990% (0.79   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  14.05 +/- 1.20   0.010% *  0.1535% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  15.64 +/- 0.92   0.005% *  0.2904% (0.77   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  18.13 +/- 1.49   0.002% *  0.3447% (0.91   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  17.97 +/- 0.71   0.002% *  0.3701% (0.98   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  15.93 +/- 1.87   0.006% *  0.1237% (0.33   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  13.31 +/- 1.06   0.013% *  0.0505% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  16.34 +/- 1.16   0.004% *  0.1332% (0.35   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  20.47 +/- 1.31   0.001% *  0.2983% (0.79   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  20.12 +/- 1.42   0.001% *  0.2410% (0.64   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  16.61 +/- 1.23   0.003% *  0.0781% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  22.23 +/- 1.12   0.001% *  0.1965% (0.52   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  21.43 +/- 1.32   0.001% *  0.1332% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  24.66 +/- 1.82   0.000% *  0.2778% (0.74   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  26.41 +/- 1.53   0.000% *  0.1274% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  27.10 +/- 0.92   0.000% *  0.1583% (0.42   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  28.64 +/- 1.89   0.000% *  0.1472% (0.39   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  23.90 +/- 1.92   0.000% *  0.0201% (0.05   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  31.70 +/- 1.69   0.000% *  0.1027% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  29.65 +/- 1.31   0.000% *  0.0611% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.0749, support = 1.95, residual support = 10.6:
      O   QB    GLU-  15 - HN    GLU-  15   3.11 +/- 0.17  85.018% * 48.8514% (0.06  10.0   1.99  10.90) =  97.425%  kept
          QB    GLU- 114 - HN    THR  118   4.88 +/- 0.46   6.758% * 10.7025% (0.48   1.0   0.55   0.02) =   1.697%  kept
          HG3   PRO   58 - HN    PHE   60   6.52 +/- 0.26   1.096% * 32.5172% (0.89   1.0   0.90   0.02) =   0.836%  kept
          HB2   LEU  115 - HN    THR  118   5.83 +/- 0.22   2.125% *  0.5605% (0.69   1.0   0.02   0.02) =   0.028%
          HB2   LEU  115 - HN    PHE   60   8.13 +/- 1.24   0.365% *  0.6954% (0.86   1.0   0.02   0.02) =   0.006%
          HB2   GLN   17 - HN    GLU-  15   6.14 +/- 0.94   3.916% *  0.0492% (0.06   1.0   0.02   0.02) =   0.005%
          HB    VAL   18 - HN    PHE   60   8.97 +/- 1.16   0.229% *  0.1999% (0.25   1.0   0.02   3.08) =   0.001%
          HB    ILE   19 - HN    GLU-  15   9.70 +/- 1.14   0.122% *  0.2190% (0.27   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    PHE   60  10.86 +/- 0.95   0.060% *  0.3902% (0.48   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    PHE   60  11.36 +/- 0.95   0.043% *  0.4863% (0.60   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  15  12.92 +/- 2.28   0.043% *  0.2437% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLU-  15  11.27 +/- 1.66   0.064% *  0.1552% (0.19   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    THR  118  13.66 +/- 1.45   0.016% *  0.5795% (0.72   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    PHE   60  13.49 +/- 0.94   0.015% *  0.5507% (0.68   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    PHE   60  14.65 +/- 1.71   0.012% *  0.6127% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLU-  15  10.35 +/- 0.62   0.068% *  0.0795% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    THR  118  14.36 +/- 2.16   0.013% *  0.3145% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR  118  16.09 +/- 2.23   0.007% *  0.4938% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   60  13.25 +/- 1.02   0.016% *  0.1237% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  16.14 +/- 0.73   0.005% *  0.1237% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  20.27 +/- 0.81   0.001% *  0.4438% (0.55   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  17.70 +/- 1.68   0.003% *  0.1611% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  22.14 +/- 1.51   0.001% *  0.2860% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  20.50 +/- 1.39   0.001% *  0.0887% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  23.83 +/- 1.24   0.000% *  0.2229% (0.28   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  21.03 +/- 0.98   0.001% *  0.0997% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  25.27 +/- 1.96   0.000% *  0.2766% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  21.64 +/- 1.29   0.001% *  0.0997% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  25.76 +/- 1.39   0.000% *  0.1934% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  29.28 +/- 1.17   0.000% *  0.1796% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 2.3:
          QG1   ILE   56 - HN    PHE   60   3.94 +/- 0.70  90.748% * 44.9524% (0.09   2.17   2.31) =  99.816%  kept
          QD    LYS+ 106 - HN    THR  118   8.46 +/- 1.41   1.964% *  0.9898% (0.22   0.02   2.85) =   0.048%
          HG3   PRO   93 - HN    PHE   60   9.14 +/- 0.74   0.681% *  1.6027% (0.36   0.02   0.02) =   0.027%
          HB2   LEU  123 - HN    THR  118   9.10 +/- 0.69   1.000% *  0.9489% (0.21   0.02   0.02) =   0.023%
          QG1   ILE   56 - HN    THR  118   8.40 +/- 1.51   3.918% *  0.2345% (0.05   0.02   0.02) =   0.022%
          HD2   LYS+ 111 - HN    THR  118  10.29 +/- 0.82   0.487% *  1.1616% (0.26   0.02   0.02) =   0.014%
          HB2   LEU   73 - HN    PHE   60  12.87 +/- 1.07   0.218% *  2.0239% (0.45   0.02   1.90) =   0.011%
          HB2   LEU   73 - HN    GLU-  15  13.41 +/- 1.70   0.084% *  4.3364% (0.97   0.02   0.02) =   0.009%
          HG3   PRO   93 - HN    THR  118  12.67 +/- 2.35   0.263% *  0.9057% (0.20   0.02   0.02) =   0.006%
          HB3   MET   92 - HN    PHE   60  12.58 +/- 0.65   0.105% *  2.0971% (0.47   0.02   0.02) =   0.005%
          QD    LYS+ 106 - HN    PHE   60  13.33 +/- 1.05   0.085% *  1.7517% (0.39   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    PHE   60  14.69 +/- 1.40   0.060% *  2.0556% (0.46   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    THR  118  13.97 +/- 1.68   0.125% *  0.9489% (0.21   0.02   0.02) =   0.003%
          HB2   LEU  123 - HN    PHE   60  14.38 +/- 1.18   0.061% *  1.6792% (0.37   0.02   0.02) =   0.003%
          HB3   MET   92 - HN    THR  118  14.22 +/- 1.60   0.065% *  1.1851% (0.26   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    GLU-  15  18.17 +/- 1.70   0.016% *  3.5980% (0.80   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    PHE   60  17.38 +/- 0.96   0.021% *  1.6792% (0.37   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    GLU-  15  17.42 +/- 1.58   0.021% *  1.0004% (0.22   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    GLU-  15  22.78 +/- 2.06   0.006% *  3.5980% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    THR  118  18.64 +/- 1.06   0.015% *  1.1437% (0.25   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    THR  118  16.87 +/- 1.65   0.024% *  0.6709% (0.15   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    GLU-  15  23.74 +/- 1.30   0.003% *  3.7532% (0.84   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  21.09 +/- 1.07   0.006% *  1.1873% (0.26   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    GLU-  15  24.14 +/- 1.58   0.003% *  2.5440% (0.57   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  20.02 +/- 1.03   0.007% *  0.8892% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  25.77 +/- 1.65   0.002% *  3.4340% (0.76   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  28.14 +/- 1.36   0.001% *  4.4934% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  32.19 +/- 1.92   0.001% *  4.4044% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  22.37 +/- 1.00   0.004% *  0.4669% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  21.06 +/- 1.63   0.007% *  0.2638% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 2 structures by 0.15 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.244, support = 2.65, residual support = 41.7:
          QB    ALA   61 - HN    PHE   60   4.26 +/- 0.16  66.568% * 72.5541% (0.25   2.66  41.90) =  99.526%  kept
          HD3   LYS+ 121 - HN    THR  118   5.58 +/- 1.38  22.495% *  0.5407% (0.24   0.02   8.23) =   0.251%
          HG12  ILE   19 - HN    GLU-  15   8.00 +/- 1.27   2.987% *  1.8552% (0.84   0.02   0.02) =   0.114%
          QB    ALA   12 - HN    GLU-  15   7.46 +/- 0.62   2.769% *  0.8336% (0.38   0.02   0.02) =   0.048%
          QB    ALA  110 - HN    PHE   60   9.28 +/- 2.32   1.229% *  0.7922% (0.36   0.02   0.02) =   0.020%
          QB    ALA  110 - HN    THR  118   9.54 +/- 1.31   1.147% *  0.4477% (0.20   0.02   0.02) =   0.011%
          HB3   LYS+  74 - HN    PHE   60  10.73 +/- 1.12   0.383% *  0.9296% (0.42   0.02   0.02) =   0.007%
          HB3   LEU   67 - HN    GLU-  15  11.27 +/- 1.77   0.338% *  0.8336% (0.38   0.02   0.02) =   0.006%
          QG    LYS+  66 - HN    PHE   60   9.06 +/- 1.20   0.973% *  0.2308% (0.10   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    GLU-  15  12.45 +/- 1.28   0.128% *  1.1685% (0.53   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    GLU-  15  14.19 +/- 0.91   0.053% *  1.9919% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    PHE   60  12.22 +/- 1.11   0.146% *  0.3890% (0.18   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    PHE   60  14.52 +/- 1.06   0.048% *  0.9569% (0.43   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    PHE   60  14.42 +/- 1.37   0.051% *  0.8658% (0.39   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    THR  118  11.22 +/- 1.52   0.306% *  0.1304% (0.06   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.63 +/- 0.74   0.105% *  0.3082% (0.14   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  14.15 +/- 1.09   0.054% *  0.4945% (0.22   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    THR  118  13.86 +/- 1.20   0.062% *  0.3789% (0.17   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    PHE   60  15.27 +/- 0.90   0.034% *  0.6706% (0.30   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLU-  15  17.88 +/- 1.19   0.014% *  1.4368% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  17.96 +/- 1.66   0.015% *  1.0274% (0.46   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  15.01 +/- 2.24   0.050% *  0.2198% (0.10   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  18.65 +/- 1.70   0.011% *  0.7527% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  22.95 +/- 2.74   0.003% *  2.2014% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  22.70 +/- 2.90   0.004% *  1.6128% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  25.04 +/- 2.16   0.002% *  2.0503% (0.92   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  23.84 +/- 2.30   0.003% *  1.6974% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  19.33 +/- 0.99   0.008% *  0.5253% (0.24   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  21.04 +/- 1.44   0.005% *  0.4893% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  23.67 +/- 2.23   0.003% *  0.5806% (0.26   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  22.14 +/- 1.64   0.004% *  0.3890% (0.18   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  24.15 +/- 2.44   0.002% *  0.4253% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  27.39 +/- 1.97   0.001% *  0.2198% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.895, support = 3.72, residual support = 25.5:
      O   QB    ALA   34 - HN    ALA   34   1.99 +/- 0.07  98.972% * 99.2769% (0.89  10.0   3.72  25.53) =  99.999%  kept
          QG2   THR   23 - HN    LEU   80   6.29 +/- 1.91   0.411% *  0.0983% (0.89   1.0   0.02   4.10) =   0.000%
          QG2   THR   39 - HN    ALA   34   5.96 +/- 0.89   0.357% *  0.0308% (0.28   1.0   0.02   8.94) =   0.000%
          QG2   THR   77 - HN    LEU   80   5.62 +/- 0.68   0.234% *  0.0221% (0.20   1.0   0.02   0.60) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   9.08 +/- 0.35   0.012% *  0.0582% (0.52   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80   9.79 +/- 1.69   0.012% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.14 +/- 0.62   0.001% *  0.1097% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.04 +/- 1.95   0.001% *  0.0720% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.16 +/- 1.55   0.000% *  0.0889% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.02 +/- 1.69   0.000% *  0.0804% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.77 +/- 0.72   0.000% *  0.0246% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  19.01 +/- 1.60   0.000% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  20.94 +/- 1.16   0.000% *  0.0308% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  27.33 +/- 2.00   0.000% *  0.0522% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 3.53, residual support = 25.6:
      O   HA    ALA   34 - HN    ALA   34   2.77 +/- 0.01  95.526% * 82.7905% (0.56  10.0   3.52  25.53) =  99.253%  kept
          HA    LYS+  81 - HN    LEU   80   4.78 +/- 0.21   3.757% * 15.8305% (0.47   1.0   4.59  31.57) =   0.746%  kept
          HA    GLU-  36 - HN    ALA   34   6.82 +/- 0.07   0.427% *  0.0601% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA   34   7.86 +/- 0.23   0.185% *  0.1118% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  10.25 +/- 2.37   0.086% *  0.0549% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.99 +/- 2.00   0.011% *  0.1001% (0.68   1.0   0.02   1.79) =   0.000%
          HA    ARG+  54 - HN    LEU   80  16.39 +/- 1.44   0.003% *  0.1284% (0.88   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  22.30 +/- 2.66   0.001% *  0.1350% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.63 +/- 1.19   0.000% *  0.0951% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.22 +/- 1.67   0.000% *  0.1062% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.03 +/- 1.93   0.001% *  0.0742% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  22.47 +/- 2.01   0.000% *  0.0769% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.96 +/- 1.45   0.000% *  0.1433% (0.98   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  23.39 +/- 3.16   0.000% *  0.0492% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  25.39 +/- 2.13   0.000% *  0.0538% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.52 +/- 1.26   0.000% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.29 +/- 1.08   0.000% *  0.0327% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  32.52 +/- 1.57   0.000% *  0.1209% (0.82   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.971, support = 6.91, residual support = 42.2:
      O   HA    LYS+  33 - HN    ALA   34   3.59 +/- 0.02  70.844% * 91.1352% (0.99  10.0   6.96  43.40) =  97.277%  kept
          HA    GLN   32 - HN    ALA   34   4.34 +/- 0.20  23.334% *  7.7313% (0.34   1.0   4.93   0.25) =   2.718%  kept
          HB2   SER   82 - HN    LEU   80   6.89 +/- 0.60   1.608% *  0.0779% (0.85   1.0   0.02   0.19) =   0.002%
          HA    GLU-  29 - HN    ALA   34   7.13 +/- 0.37   1.216% *  0.0911% (0.99   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.47 +/- 0.55   2.441% *  0.0161% (0.17   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    ALA   34   9.40 +/- 0.91   0.262% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.65 +/- 1.09   0.144% *  0.0500% (0.54   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  12.55 +/- 0.83   0.043% *  0.0901% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  11.71 +/- 0.47   0.061% *  0.0309% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  16.13 +/- 1.90   0.010% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.23 +/- 1.45   0.009% *  0.0807% (0.88   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.34 +/- 1.61   0.014% *  0.0163% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  21.62 +/- 3.56   0.002% *  0.0870% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  21.13 +/- 2.18   0.002% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  22.19 +/- 1.39   0.001% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  19.60 +/- 2.20   0.003% *  0.0281% (0.30   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  23.76 +/- 1.84   0.001% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.10 +/- 1.44   0.001% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.23 +/- 0.64   0.001% *  0.0558% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  25.08 +/- 2.72   0.001% *  0.0345% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.56 +/- 2.16   0.001% *  0.0144% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.76 +/- 1.27   0.000% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.759, support = 5.54, residual support = 42.8:
          HG3   LYS+  33 - HN    ALA   34   3.54 +/- 0.35  88.193% * 83.2275% (0.76   5.60  43.40) =  98.593%  kept
          QB    ALA   84 - HN    LEU   80   5.22 +/- 0.39  10.018% * 10.4224% (0.54   0.99   0.02) =   1.402%  kept
          HB3   LEU   73 - HN    ALA   34   9.57 +/- 0.84   0.288% *  0.3486% (0.89   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   34   9.53 +/- 0.72   0.277% *  0.3247% (0.83   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    ALA   34   8.16 +/- 0.49   0.675% *  0.0681% (0.17   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ALA   34  10.32 +/- 1.07   0.199% *  0.1892% (0.49   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   80  11.66 +/- 1.44   0.096% *  0.3122% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  14.22 +/- 1.84   0.028% *  0.3588% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  12.18 +/- 1.38   0.077% *  0.0868% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  15.27 +/- 2.48   0.041% *  0.1459% (0.37   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  14.72 +/- 1.21   0.021% *  0.2252% (0.58   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  17.29 +/- 1.02   0.008% *  0.3878% (1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  17.14 +/- 1.60   0.009% *  0.2908% (0.75   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  15.58 +/- 0.96   0.014% *  0.0969% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  19.36 +/- 2.61   0.005% *  0.2661% (0.68   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  18.62 +/- 1.83   0.005% *  0.2358% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  20.45 +/- 2.24   0.004% *  0.3474% (0.89   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  18.35 +/- 2.36   0.007% *  0.1695% (0.44   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  19.90 +/- 0.97   0.003% *  0.3247% (0.83   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  19.07 +/- 2.51   0.006% *  0.1459% (0.37   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  17.01 +/- 0.97   0.008% *  0.0681% (0.17   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  17.33 +/- 1.63   0.008% *  0.0610% (0.16   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  22.36 +/- 1.28   0.002% *  0.2908% (0.75   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  21.88 +/- 0.93   0.002% *  0.2514% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  25.32 +/- 2.48   0.001% *  0.3214% (0.82   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  25.20 +/- 1.82   0.001% *  0.3360% (0.86   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  23.92 +/- 2.85   0.002% *  0.1307% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  19.71 +/- 1.59   0.004% *  0.0610% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  28.99 +/- 2.15   0.000% *  0.3751% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  27.58 +/- 1.32   0.000% *  0.1307% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.726, support = 5.89, residual support = 43.1:
          QB    LYS+  33 - HN    ALA   34   2.94 +/- 0.21  94.900% * 53.3372% (0.72   5.92  43.40) =  97.732%  kept
          QB    LYS+  81 - HN    LEU   80   5.46 +/- 0.30   2.731% * 42.8691% (0.78   4.45  31.57) =   2.260%  kept
          HB3   GLN   30 - HN    ALA   34   6.09 +/- 0.63   2.152% *  0.1703% (0.69   0.02   0.40) =   0.007%
          HB3   LYS+  38 - HN    ALA   34   9.02 +/- 0.25   0.122% *  0.2151% (0.87   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU   80  12.02 +/- 1.82   0.032% *  0.1778% (0.72   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  13.44 +/- 2.50   0.016% *  0.1526% (0.61   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  14.19 +/- 2.46   0.012% *  0.1169% (0.47   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  15.53 +/- 0.93   0.005% *  0.2224% (0.89   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  14.99 +/- 0.61   0.006% *  0.1305% (0.52   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  16.77 +/- 1.95   0.003% *  0.1992% (0.80   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  16.51 +/- 1.97   0.005% *  0.1257% (0.51   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.09 +/- 1.62   0.002% *  0.2143% (0.86   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  17.36 +/- 1.96   0.003% *  0.1613% (0.65   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.00 +/- 0.87   0.003% *  0.1504% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.50 +/- 1.12   0.004% *  0.1207% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  21.49 +/- 1.73   0.001% *  0.2151% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  23.69 +/- 1.40   0.000% *  0.2393% (0.96   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  21.65 +/- 2.10   0.001% *  0.1169% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.73 +/- 1.54   0.000% *  0.1347% (0.54   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  21.93 +/- 1.54   0.001% *  0.0758% (0.30   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  24.43 +/- 1.27   0.000% *  0.1305% (0.52   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  27.10 +/- 1.60   0.000% *  0.1986% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  27.15 +/- 1.77   0.000% *  0.1927% (0.78   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  24.59 +/- 1.10   0.000% *  0.0846% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  27.35 +/- 1.84   0.000% *  0.1404% (0.56   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.14 +/- 1.53   0.000% *  0.1081% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.501, support = 7.16, residual support = 80.6:
      O   HA    LEU   80 - HN    LEU   80   2.88 +/- 0.04  93.191% * 72.0157% (0.50  10.0   7.22  81.59) =  98.686%  kept
          HA    ASP-  78 - HN    LEU   80   5.27 +/- 0.54   3.239% * 22.5993% (0.94   1.0   3.31   3.69) =   1.076%  kept
          HA    THR   23 - HN    LEU   80   5.93 +/- 1.87   3.242% *  4.9734% (0.85   1.0   0.81   4.10) =   0.237%
          HB    THR   23 - HN    LEU   80   8.24 +/- 1.88   0.317% *  0.0514% (0.36   1.0   0.02   4.10) =   0.000%
          HA    THR   23 - HN    ALA   34  15.76 +/- 0.24   0.003% *  0.1015% (0.70   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  15.31 +/- 0.53   0.004% *  0.0425% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  19.49 +/- 2.55   0.001% *  0.0595% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.62 +/- 0.82   0.000% *  0.1129% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  17.94 +/- 0.60   0.002% *  0.0198% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  23.10 +/- 1.69   0.000% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 5.5, residual support = 48.7:
      O   HA    GLU-  79 - HN    LEU   80   3.62 +/- 0.03  94.089% * 98.8868% (0.76  10.0   5.50  48.66) =  99.997%  kept
          HB    THR   77 - HN    LEU   80   6.28 +/- 0.68   4.191% *  0.0381% (0.29   1.0   0.02   0.60) =   0.002%
          HA    THR   39 - HN    ALA   34   7.41 +/- 0.43   1.373% *  0.0886% (0.68   1.0   0.02   8.94) =   0.001%
          HA    SER   85 - HN    LEU   80  10.55 +/- 0.31   0.157% *  0.0381% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  12.19 +/- 1.32   0.078% *  0.0308% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  12.91 +/- 0.56   0.048% *  0.0420% (0.32   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  16.59 +/- 1.62   0.012% *  0.1210% (0.93   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  17.35 +/- 1.67   0.009% *  0.1168% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.02 +/- 0.66   0.019% *  0.0255% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  20.47 +/- 3.75   0.010% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  22.19 +/- 1.23   0.002% *  0.1001% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  21.43 +/- 1.03   0.002% *  0.0818% (0.63   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  21.13 +/- 1.85   0.003% *  0.0508% (0.39   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  24.07 +/- 1.68   0.001% *  0.1071% (0.82   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  21.85 +/- 0.86   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  24.57 +/- 2.86   0.001% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  30.14 +/- 1.70   0.000% *  0.0966% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  24.79 +/- 1.13   0.001% *  0.0284% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  27.62 +/- 1.41   0.001% *  0.0343% (0.26   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  31.58 +/- 4.04   0.000% *  0.0275% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 5.49, residual support = 48.2:
          HB3   GLU-  79 - HN    LEU   80   2.66 +/- 0.57  96.021% * 76.8685% (0.79   5.53  48.66) =  99.031%  kept
          QB    GLU-  36 - HN    ALA   34   5.11 +/- 0.21   3.471% * 20.7821% (0.70   1.68   0.02) =   0.968%  kept
          HB3   GLU-  29 - HN    ALA   34   8.09 +/- 0.52   0.255% *  0.2747% (0.78   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    ALA   34  10.19 +/- 0.50   0.066% *  0.2104% (0.60   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   34   8.64 +/- 0.25   0.143% *  0.0850% (0.24   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.91 +/- 1.78   0.032% *  0.3073% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  14.92 +/- 1.77   0.006% *  0.2544% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  16.10 +/- 1.86   0.004% *  0.3322% (0.94   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  19.12 +/- 1.54   0.001% *  0.2299% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  21.23 +/- 2.02   0.001% *  0.2986% (0.85   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  27.29 +/- 1.72   0.000% *  0.2541% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  27.31 +/- 1.86   0.000% *  0.1028% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.04, residual support = 18.7:
        T HN    ASN   35 - HN    ALA   34   2.69 +/- 0.04  99.990% * 98.7794% (0.80 10.00   4.04  18.74) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  21.11 +/- 1.99   0.000% *  0.8847% (0.72 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  18.90 +/- 3.18   0.002% *  0.1223% (0.99  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  13.82 +/- 0.62   0.006% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  18.42 +/- 1.60   0.001% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  29.83 +/- 3.49   0.000% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.15 +/- 1.16   0.000% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.87 +/- 1.58   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 5.12, residual support = 31.6:
          HN    LYS+  81 - HN    LEU   80   3.47 +/- 0.27  98.670% * 98.3431% (0.89   5.12  31.57) =  99.999%  kept
          HE3   TRP   27 - HN    LEU   80   9.00 +/- 3.01   0.930% *  0.0857% (0.20   0.02  10.87) =   0.001%
          HE3   TRP   27 - HN    ALA   34  10.42 +/- 2.08   0.330% *  0.0957% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  13.39 +/- 0.98   0.033% *  0.3083% (0.72   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  14.67 +/- 0.83   0.021% *  0.3442% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  21.70 +/- 1.99   0.002% *  0.4289% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  17.84 +/- 0.60   0.006% *  0.1327% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  19.01 +/- 1.53   0.005% *  0.0674% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.26 +/- 1.16   0.001% *  0.1188% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  25.31 +/- 1.59   0.001% *  0.0753% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.704, support = 1.16, residual support = 4.46:
          HA    GLN   30 - HN    ALA   34   4.89 +/- 0.49  38.856% * 33.3826% (0.80   0.88   0.40) =  49.587%  kept
          HB    THR   39 - HN    ALA   34   5.25 +/- 0.72  28.825% * 43.1532% (0.61   1.50   8.94) =  47.552%  kept
          HB3   SER   82 - HN    LEU   80   7.22 +/- 0.32   3.895% * 16.1047% (0.82   0.41   0.19) =   2.398%  kept
          HB3   SER   37 - HN    ALA   34   5.16 +/- 0.45  27.890% *  0.4253% (0.45   0.02   0.02) =   0.453%
          HA    ILE   89 - HN    LEU   80  11.24 +/- 0.98   0.271% *  0.3809% (0.40   0.02   0.02) =   0.004%
          QB    SER   13 - HN    ALA   34  15.30 +/- 2.50   0.073% *  0.6137% (0.65   0.02   0.02) =   0.002%
          HA    GLN   30 - HN    LEU   80  15.88 +/- 2.12   0.041% *  0.6804% (0.72   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    LEU   80  13.72 +/- 1.26   0.081% *  0.3189% (0.34   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   80  16.67 +/- 1.74   0.029% *  0.7370% (0.78   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ALA   34  20.78 +/- 3.90   0.010% *  0.8757% (0.92   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  21.75 +/- 1.76   0.005% *  0.5153% (0.54   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  24.36 +/- 2.35   0.003% *  0.5497% (0.58   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  23.60 +/- 2.43   0.003% *  0.4253% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  23.48 +/- 1.97   0.003% *  0.3809% (0.40   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  20.69 +/- 1.32   0.007% *  0.1464% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  24.75 +/- 1.20   0.002% *  0.3560% (0.37   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  29.24 +/- 1.36   0.001% *  0.8229% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  22.41 +/- 1.51   0.004% *  0.1311% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.744, support = 1.64, residual support = 4.33:
          HA    LEU   31 - HN    ALA   34   3.11 +/- 0.28  77.881% * 85.3100% (0.76   1.69   4.50) =  95.765%  kept
          HA    THR   77 - HN    LEU   80   4.07 +/- 0.85  22.113% * 13.2871% (0.34   0.60   0.60) =   4.235%  kept
          HA    LEU   31 - HN    LEU   80  16.57 +/- 2.19   0.005% *  0.9061% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.85 +/- 0.81   0.001% *  0.4968% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.372, support = 2.99, residual support = 3.95:
          HA    ASP-  78 - HN    LEU   80   5.27 +/- 0.54  40.414% * 80.7365% (0.40   3.31   3.69) =  87.247%  kept
          HA    THR   23 - HN    LEU   80   5.93 +/- 1.87  37.416% *  8.7256% (0.18   0.81   4.10) =   8.730%  kept
          HA    VAL   41 - HN    ALA   34   6.00 +/- 0.53  18.517% *  7.9799% (0.17   0.75   9.41) =   3.951%  kept
          HA    PHE   45 - HN    LEU   80   8.16 +/- 1.28   3.547% *  0.7476% (0.61   0.02   0.02) =   0.071%
          HA    PHE   45 - HN    ALA   34  16.74 +/- 0.74   0.033% *  0.8346% (0.69   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  15.76 +/- 0.24   0.044% *  0.2405% (0.20   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    LEU   80  17.83 +/- 1.64   0.024% *  0.1906% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.62 +/- 0.82   0.004% *  0.5448% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.40 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.703, support = 3.51, residual support = 14.2:
          HB2   ASP-  76 - HN    LEU   80   4.31 +/- 0.47  64.117% * 28.3539% (0.75   2.88   3.23) =  59.901%  kept
          QE    LYS+  33 - HN    ALA   34   5.19 +/- 0.51  23.105% * 35.5449% (0.52   5.14  43.40) =  27.060%  kept
          HB2   ASP-  78 - HN    LEU   80   5.97 +/- 0.64  11.391% * 34.7280% (0.88   3.01   3.69) =  13.035%  kept
          HB2   ASN   28 - HN    ALA   34   9.59 +/- 0.42   0.547% *  0.1080% (0.41   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    ALA   34  12.02 +/- 1.44   0.177% *  0.1908% (0.72   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    LEU   80   9.87 +/- 0.64   0.514% *  0.0319% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  13.22 +/- 1.95   0.095% *  0.0968% (0.37   0.02   1.79) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.84 +/- 1.29   0.010% *  0.2195% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  18.19 +/- 2.54   0.015% *  0.1238% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  19.05 +/- 1.10   0.009% *  0.0731% (0.28   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.50 +/- 1.06   0.002% *  0.2576% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.44 +/- 1.39   0.006% *  0.0654% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  19.83 +/- 4.04   0.010% *  0.0356% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.59 +/- 1.40   0.001% *  0.1709% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 5.37, residual support = 48.7:
          HB2   GLU-  79 - HN    LEU   80   2.81 +/- 0.73  98.008% * 94.5327% (0.44   5.37  48.66) =  99.994%  kept
          HG3   GLU-  36 - HN    ALA   34   6.86 +/- 0.75   1.930% *  0.2753% (0.34   0.02   0.02) =   0.006%
          HG3   GLU-  25 - HN    LEU   80  12.87 +/- 1.85   0.020% *  0.7087% (0.88   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  14.97 +/- 0.53   0.009% *  0.7912% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  16.30 +/- 1.76   0.008% *  0.6271% (0.78   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  14.57 +/- 2.40   0.018% *  0.2466% (0.30   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.34 +/- 1.22   0.002% *  0.3929% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.28 +/- 1.73   0.002% *  0.2972% (0.37   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  21.76 +/- 1.68   0.001% *  0.3318% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.07 +/- 1.29   0.001% *  0.2713% (0.34   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.98 +/- 1.35   0.000% *  0.7002% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.34 +/- 0.84   0.001% *  0.3029% (0.37   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.65 +/- 2.02   0.001% *  0.2466% (0.30   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.19 +/- 1.10   0.000% *  0.2753% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.772, support = 5.47, residual support = 47.9:
          HB3   GLU-  79 - HN    LEU   80   2.66 +/- 0.57  91.748% * 68.8641% (0.78   5.53  48.66) =  98.420%  kept
          QB    GLU-  36 - HN    ALA   34   5.11 +/- 0.21   3.112% * 21.6148% (0.80   1.68   0.02) =   1.048%  kept
          QB    GLN   32 - HN    ALA   34   4.86 +/- 0.11   4.287% *  7.9416% (0.17   2.83   0.25) =   0.530%  kept
          HB3   GLU-  29 - HN    ALA   34   8.09 +/- 0.52   0.223% *  0.1561% (0.49   0.02   0.02) =   0.001%
          HB    VAL   24 - HN    LEU   80   7.38 +/- 1.73   0.426% *  0.0639% (0.20   0.02   8.89) =   0.000%
          HG3   GLU- 100 - HN    ALA   34   9.16 +/- 0.99   0.098% *  0.1561% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34  10.19 +/- 0.50   0.058% *  0.0562% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.91 +/- 1.78   0.029% *  0.0886% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  16.10 +/- 1.86   0.003% *  0.1398% (0.44   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  14.88 +/- 0.62   0.006% *  0.0714% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  19.12 +/- 1.54   0.001% *  0.2782% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  14.92 +/- 1.77   0.006% *  0.0503% (0.16   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  21.23 +/- 2.02   0.001% *  0.2300% (0.72   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  16.72 +/- 1.97   0.002% *  0.0503% (0.16   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  25.88 +/- 1.94   0.000% *  0.1398% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  27.29 +/- 1.72   0.000% *  0.0990% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.251, residual support = 0.502:
          QG1   VAL   75 - HN    LEU   80   4.27 +/- 1.19  99.520% * 77.3645% (0.68   0.25   0.50) =  99.955%  kept
          QG1   VAL   75 - HN    ALA   34  13.17 +/- 0.74   0.332% *  6.8805% (0.76   0.02   0.02) =   0.030%
          QD1   LEU  115 - HN    LEU   80  18.11 +/- 1.62   0.086% *  7.4439% (0.82   0.02   0.02) =   0.008%
          QD1   LEU  115 - HN    ALA   34  20.14 +/- 1.75   0.061% *  8.3110% (0.92   0.02   0.02) =   0.007%
    Distance limit 4.51 A violated in 2 structures by 0.34 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 = 0.274, support = 6.81, residual support = 80.1:
          QD1   LEU   80 - HN    LEU   80   2.63 +/- 0.85  69.214% * 26.5831% (0.18   7.13  81.59) =  56.072%  kept
          QD2   LEU   80 - HN    LEU   80   3.46 +/- 0.56  24.603% * 55.8801% (0.40   6.62  81.59) =  41.898%  kept
          QG2   VAL   41 - HN    ALA   34   4.81 +/- 0.78   4.608% * 14.3451% (0.34   2.00   9.41) =   2.014%  kept
          QD1   LEU   73 - HN    ALA   34   5.74 +/- 0.82   1.365% *  0.3513% (0.83   0.02   0.02) =   0.015%
          QD2   LEU   98 - HN    ALA   34   7.83 +/- 0.64   0.140% *  0.0832% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   80  10.53 +/- 1.45   0.022% *  0.3146% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  13.86 +/- 1.50   0.006% *  0.3772% (0.89   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.03 +/- 1.13   0.005% *  0.3513% (0.83   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  11.59 +/- 0.62   0.015% *  0.1049% (0.25   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  13.31 +/- 2.69   0.007% *  0.1885% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.16 +/- 1.67   0.002% *  0.3146% (0.75   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  13.82 +/- 1.61   0.005% *  0.1285% (0.30   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.99 +/- 1.64   0.001% *  0.3378% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  14.80 +/- 2.81   0.004% *  0.0832% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  14.39 +/- 1.84   0.004% *  0.0745% (0.18   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  19.12 +/- 2.32   0.001% *  0.2047% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  18.67 +/- 1.77   0.001% *  0.1833% (0.44   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  21.09 +/- 1.63   0.000% *  0.0939% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.649, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  19.70 +/- 2.71  18.946% * 31.5414% (1.00   0.02   0.02) =  44.447%  kept
          HB3   LEU  104 - HN    ALA   34  15.61 +/- 0.62  58.237% *  7.0378% (0.22   0.02   0.02) =  30.486%  kept
          HG3   LYS+ 121 - HN    ALA   34  20.24 +/- 1.48  12.876% * 14.1725% (0.45   0.02   0.02) =  13.573%  kept
          QD2   LEU  123 - HN    LEU   80  25.13 +/- 1.49   3.431% * 28.2508% (0.89   0.02   0.02) =   7.210%  kept
          HG3   LYS+ 121 - HN    LEU   80  26.90 +/- 1.92   2.593% * 12.6939% (0.40   0.02   0.02) =   2.448%  kept
          HB3   LEU  104 - HN    LEU   80  24.91 +/- 1.72   3.918% *  6.3036% (0.20   0.02   0.02) =   1.837%  kept
    Distance limit 4.33 A violated in 20 structures by 9.87 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.745, support = 5.88, residual support = 43.1:
          QB    LYS+  33 - HN    ALA   34   2.94 +/- 0.21  94.900% * 49.3874% (0.74   5.92  43.40) =  97.313%  kept
          QB    LYS+  81 - HN    LEU   80   5.46 +/- 0.30   2.731% * 47.3291% (0.94   4.45  31.57) =   2.684%  kept
          HB3   GLN   30 - HN    ALA   34   6.09 +/- 0.63   2.152% *  0.0725% (0.32   0.02   0.40) =   0.003%
          HB3   LYS+  38 - HN    ALA   34   9.02 +/- 0.25   0.122% *  0.1069% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  12.02 +/- 1.82   0.032% *  0.2090% (0.93   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  13.44 +/- 2.50   0.016% *  0.0876% (0.39   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  16.51 +/- 1.97   0.005% *  0.1781% (0.79   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  15.53 +/- 0.93   0.005% *  0.1763% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  14.99 +/- 0.61   0.006% *  0.1411% (0.63   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  16.77 +/- 1.95   0.003% *  0.2132% (0.95   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  14.19 +/- 2.46   0.012% *  0.0593% (0.26   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  17.36 +/- 1.96   0.003% *  0.2017% (0.89   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.50 +/- 1.12   0.004% *  0.1347% (0.60   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.00 +/- 0.87   0.003% *  0.1529% (0.68   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.09 +/- 1.62   0.002% *  0.1629% (0.72   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  21.49 +/- 1.73   0.001% *  0.1759% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  21.65 +/- 2.10   0.001% *  0.1707% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.73 +/- 1.54   0.000% *  0.1849% (0.82   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  23.69 +/- 1.40   0.000% *  0.1347% (0.60   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  27.10 +/- 1.60   0.000% *  0.1728% (0.77   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.14 +/- 1.53   0.000% *  0.1629% (0.72   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  27.35 +/- 1.84   0.000% *  0.1472% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  27.15 +/- 1.77   0.000% *  0.1293% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  21.93 +/- 1.54   0.001% *  0.0329% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  24.43 +/- 1.27   0.000% *  0.0490% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  24.59 +/- 1.10   0.000% *  0.0272% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 3.72, residual support = 25.5:
      O   QB    ALA   34 - HN    ALA   34   1.99 +/- 0.07  99.329% * 98.3406% (0.24  10.0   3.72  25.53) =  99.998%  kept
          QG2   THR   23 - HN    LEU   80   6.29 +/- 1.91   0.413% *  0.2493% (0.61   1.0   0.02   4.10) =   0.001%
          QG2   THR   77 - HN    LEU   80   5.62 +/- 0.68   0.235% *  0.3086% (0.76   1.0   0.02   0.60) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.46 +/- 0.33   0.018% *  0.0492% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  11.63 +/- 0.43   0.003% *  0.1584% (0.39   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.14 +/- 0.62   0.001% *  0.2061% (0.51   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.04 +/- 1.95   0.001% *  0.0675% (0.17   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.77 +/- 0.72   0.000% *  0.2551% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.16 +/- 1.55   0.000% *  0.1189% (0.29   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  21.74 +/- 2.41   0.000% *  0.1310% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.02 +/- 1.69   0.000% *  0.0558% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  26.97 +/- 1.82   0.000% *  0.0595% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.352, support = 6.09, residual support = 81.6:
      O   HB2   LEU   80 - HN    LEU   80   2.41 +/- 0.38  81.543% * 49.3613% (0.26  10.0   5.94  81.59) =  82.028%  kept
          HG    LEU   80 - HN    LEU   80   3.77 +/- 0.84  18.314% * 48.1510% (0.76   1.0   6.77  81.59) =  17.972%  kept
          HG    LEU   73 - HN    ALA   34   7.89 +/- 0.82   0.069% *  0.1226% (0.65   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   34   9.52 +/- 1.11   0.022% *  0.1008% (0.54   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34   9.93 +/- 0.93   0.018% *  0.0501% (0.27   1.0   0.02   0.12) =   0.000%
          HG    LEU   73 - HN    LEU   80  13.38 +/- 1.45   0.003% *  0.1483% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80  10.08 +/- 1.36   0.015% *  0.0274% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  14.07 +/- 1.81   0.003% *  0.1066% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  14.05 +/- 1.37   0.002% *  0.1465% (0.78   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  15.71 +/- 0.89   0.001% *  0.1679% (0.89   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  16.23 +/- 2.41   0.001% *  0.1357% (0.72   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  16.00 +/- 1.62   0.001% *  0.1219% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  16.79 +/- 0.92   0.001% *  0.1389% (0.74   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  17.07 +/- 3.37   0.001% *  0.1175% (0.63   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  14.71 +/- 1.72   0.002% *  0.0366% (0.20   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  18.24 +/- 0.76   0.000% *  0.1417% (0.75   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.78 +/- 0.77   0.002% *  0.0226% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  17.83 +/- 2.85   0.001% *  0.0408% (0.22   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  23.11 +/- 1.49   0.000% *  0.1713% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  23.23 +/- 1.84   0.000% *  0.1771% (0.94   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  21.93 +/- 0.85   0.000% *  0.1122% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  21.16 +/- 1.38   0.000% *  0.0606% (0.32   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  21.27 +/- 1.85   0.000% *  0.0606% (0.32   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  25.57 +/- 2.06   0.000% *  0.1289% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  23.09 +/- 1.88   0.000% *  0.0501% (0.27   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  20.80 +/- 2.02   0.000% *  0.0257% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  23.28 +/- 1.85   0.000% *  0.0443% (0.24   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  26.44 +/- 2.42   0.000% *  0.0311% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.738, support = 0.769, residual support = 8.67:
          QG1   VAL   41 - HN    ALA   34   4.68 +/- 0.51  62.902% * 48.9379% (0.78   0.75   9.41) =  85.334%  kept
          HG    LEU   31 - HN    ALA   34   6.22 +/- 0.35  13.293% * 38.5048% (0.51   0.91   4.50) =  14.189%  kept
          QD2   LEU   73 - HN    ALA   34   6.65 +/- 1.16  11.231% *  0.6366% (0.38   0.02   0.02) =   0.198%
          QG2   THR   46 - HN    LEU   80   8.15 +/- 1.37   3.582% *  0.9595% (0.57   0.02   0.02) =   0.095%
          QG1   VAL   43 - HN    ALA   34   8.49 +/- 1.01   2.193% *  1.2074% (0.72   0.02   0.02) =   0.073%
          QD1   ILE   19 - HN    ALA   34   7.55 +/- 0.72   4.455% *  0.3636% (0.22   0.02   0.02) =   0.045%
          QG1   VAL   43 - HN    LEU   80  10.44 +/- 1.78   0.834% *  1.4603% (0.87   0.02   0.02) =   0.034%
          QD2   LEU   73 - HN    LEU   80  11.24 +/- 1.72   0.547% *  0.7700% (0.46   0.02   0.02) =   0.012%
          QG2   VAL   18 - HN    ALA   34  12.61 +/- 0.85   0.179% *  0.9497% (0.57   0.02   0.02) =   0.005%
          QG2   VAL   18 - HN    LEU   80  13.34 +/- 1.38   0.144% *  1.1487% (0.69   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    LEU   80  14.32 +/- 2.51   0.119% *  1.0233% (0.61   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    LEU   80  16.04 +/- 1.49   0.044% *  1.5784% (0.94   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    LEU   80  13.45 +/- 1.68   0.137% *  0.4398% (0.26   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    ALA   34  12.12 +/- 1.15   0.221% *  0.2291% (0.14   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ALA   34  15.99 +/- 0.55   0.042% *  0.7933% (0.47   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   80  15.56 +/- 1.24   0.054% *  0.3944% (0.24   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    ALA   34  19.27 +/- 1.26   0.014% *  0.3261% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  21.07 +/- 1.35   0.008% *  0.2770% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.62, residual support = 81.6:
          QD2   LEU   80 - HN    LEU   80   3.46 +/- 0.56  84.736% * 97.2032% (0.85   6.62  81.59) =  99.971%  kept
          QD1   LEU   73 - HN    ALA   34   5.74 +/- 0.82   5.821% *  0.2655% (0.77   0.02   0.02) =   0.019%
          QG1   VAL   83 - HN    LEU   80   5.41 +/- 0.58   8.976% *  0.0817% (0.24   0.02   0.02) =   0.009%
          QD1   LEU   73 - HN    LEU   80  10.53 +/- 1.45   0.211% *  0.3211% (0.93   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   34  11.59 +/- 0.62   0.081% *  0.1860% (0.54   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  13.31 +/- 2.69   0.049% *  0.2429% (0.70   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.03 +/- 1.13   0.025% *  0.2655% (0.77   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.16 +/- 1.67   0.014% *  0.3211% (0.93   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  13.86 +/- 1.50   0.027% *  0.1214% (0.35   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  14.38 +/- 3.53   0.041% *  0.0675% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  18.67 +/- 1.77   0.006% *  0.3024% (0.87   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  19.12 +/- 2.32   0.005% *  0.2500% (0.72   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.99 +/- 1.64   0.007% *  0.1468% (0.42   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  21.09 +/- 1.63   0.003% *  0.2250% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.251, residual support = 0.502:
          QG1   VAL   75 - HN    LEU   80   4.27 +/- 1.19  99.520% * 86.3457% (0.46   0.25   0.50) =  99.971%  kept
          QG1   VAL   75 - HN    ALA   34  13.17 +/- 0.74   0.332% *  5.6869% (0.38   0.02   0.02) =   0.022%
          QD1   LEU  115 - HN    LEU   80  18.11 +/- 1.62   0.086% *  4.3614% (0.29   0.02   0.02) =   0.004%
          QD1   LEU  115 - HN    ALA   34  20.14 +/- 1.75   0.061% *  3.6060% (0.24   0.02   0.02) =   0.003%
    Distance limit 4.32 A violated in 3 structures by 0.40 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 = 3.51, residual support = 25.4:
      O   HA    ALA   34 - HN    ALA   34   2.77 +/- 0.01  95.475% * 89.1134% (0.63  10.0   3.52  25.53) =  99.580%  kept
          HA    LYS+  81 - HN    LEU   80   4.78 +/- 0.21   3.755% *  9.5438% (0.29   1.0   4.59  31.57) =   0.419%
          HA    ASN   28 - HN    ALA   34   7.86 +/- 0.23   0.185% *  0.1053% (0.74   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   34   6.82 +/- 0.07   0.427% *  0.0248% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  10.25 +/- 2.37   0.086% *  0.0675% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.99 +/- 2.00   0.011% *  0.1273% (0.89   1.0   0.02   1.79) =   0.000%
          HA    THR   26 - HN    ALA   34  10.13 +/- 0.38   0.041% *  0.0195% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  16.39 +/- 1.44   0.003% *  0.1124% (0.79   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  12.61 +/- 1.83   0.013% *  0.0236% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.03 +/- 1.93   0.001% *  0.1078% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.63 +/- 1.19   0.000% *  0.1243% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  22.30 +/- 2.66   0.001% *  0.0808% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.22 +/- 1.67   0.000% *  0.1027% (0.72   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  23.39 +/- 3.16   0.000% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.96 +/- 1.45   0.000% *  0.0930% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  22.47 +/- 2.01   0.000% *  0.0343% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.29 +/- 1.08   0.000% *  0.0603% (0.42   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.52 +/- 1.26   0.000% *  0.0499% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  25.39 +/- 2.13   0.000% *  0.0300% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  32.52 +/- 1.57   0.000% *  0.0977% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.584, support = 1.63, residual support = 4.28:
          HA    LEU   31 - HN    ALA   34   3.11 +/- 0.28  77.881% * 81.2690% (0.60   1.69   4.50) =  94.365%  kept
          HA    THR   77 - HN    LEU   80   4.07 +/- 0.85  22.113% * 17.0922% (0.36   0.60   0.60) =   5.635%  kept
          HA    LEU   31 - HN    LEU   80  16.57 +/- 2.19   0.005% *  1.1656% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.85 +/- 0.81   0.001% *  0.4733% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.636, support = 3.67, residual support = 17.0:
          HB2   ASP-  76 - HN    LEU   80   4.31 +/- 0.47  64.117% * 21.7053% (0.57   2.88   3.23) =  50.787%  kept
          QE    LYS+  33 - HN    ALA   34   5.19 +/- 0.51  23.105% * 40.3085% (0.60   5.14  43.40) =  33.988%  kept
          HB2   ASP-  78 - HN    LEU   80   5.97 +/- 0.64  11.391% * 36.6106% (0.93   3.01   3.69) =  15.219%  kept
          HB2   ASN   28 - HN    ALA   34   9.59 +/- 0.42   0.547% *  0.1327% (0.51   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    LEU   80   9.87 +/- 0.64   0.514% *  0.0690% (0.26   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ALA   34  12.02 +/- 1.44   0.177% *  0.0999% (0.38   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  13.22 +/- 1.95   0.095% *  0.1605% (0.61   0.02   1.79) =   0.001%
          QE    LYS+  33 - HN    LEU   80  18.19 +/- 2.54   0.015% *  0.1896% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.84 +/- 1.29   0.010% *  0.1244% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  19.05 +/- 1.10   0.009% *  0.0999% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.44 +/- 1.39   0.006% *  0.1208% (0.46   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  19.83 +/- 4.04   0.010% *  0.0570% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.50 +/- 1.06   0.002% *  0.2011% (0.77   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.59 +/- 1.40   0.001% *  0.1208% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.37, residual support = 48.7:
          HB2   GLU-  79 - HN    LEU   80   2.81 +/- 0.73  98.008% * 95.2916% (0.46   5.37  48.66) =  99.995%  kept
          HG3   GLU-  36 - HN    ALA   34   6.86 +/- 0.75   1.930% *  0.2055% (0.27   0.02   0.02) =   0.004%
          HG3   GLU-  25 - HN    LEU   80  12.87 +/- 1.85   0.020% *  0.7144% (0.93   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  14.97 +/- 0.53   0.009% *  0.5906% (0.77   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  16.30 +/- 1.76   0.008% *  0.6322% (0.82   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  14.57 +/- 2.40   0.018% *  0.2486% (0.32   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.28 +/- 1.73   0.002% *  0.2996% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.34 +/- 1.22   0.002% *  0.2933% (0.38   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.07 +/- 1.29   0.001% *  0.2735% (0.36   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  21.76 +/- 1.68   0.001% *  0.2477% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.98 +/- 1.35   0.000% *  0.5227% (0.68   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.65 +/- 2.02   0.001% *  0.2486% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.34 +/- 0.84   0.001% *  0.2261% (0.29   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.19 +/- 1.10   0.000% *  0.2055% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.77, support = 6.92, residual support = 42.4:
      O   HA    LYS+  33 - HN    ALA   34   3.59 +/- 0.02  70.844% * 92.3536% (0.78  10.0   6.96  43.40) =  97.787%  kept
          HA    GLN   32 - HN    ALA   34   4.34 +/- 0.20  23.334% *  6.3295% (0.22   1.0   4.93   0.25) =   2.207%  kept
          HB2   SER   82 - HN    LEU   80   6.89 +/- 0.60   1.608% *  0.1002% (0.85   1.0   0.02   0.19) =   0.002%
          HA    GLU-  29 - HN    ALA   34   7.13 +/- 0.37   1.216% *  0.0891% (0.75   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.47 +/- 0.55   2.441% *  0.0206% (0.17   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    ALA   34   9.40 +/- 0.91   0.262% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.65 +/- 1.09   0.144% *  0.0588% (0.50   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  12.55 +/- 0.83   0.043% *  0.0874% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  11.71 +/- 0.47   0.061% *  0.0345% (0.29   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  16.13 +/- 1.90   0.010% *  0.1078% (0.91   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.23 +/- 1.45   0.009% *  0.1057% (0.89   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.34 +/- 1.61   0.014% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  21.13 +/- 2.18   0.002% *  0.1117% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  21.62 +/- 3.56   0.002% *  0.0828% (0.70   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  22.19 +/- 1.39   0.001% *  0.0969% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  19.60 +/- 2.20   0.003% *  0.0311% (0.26   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  23.76 +/- 1.84   0.001% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.10 +/- 1.44   0.001% *  0.0969% (0.82   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.23 +/- 0.64   0.001% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  25.08 +/- 2.72   0.001% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.56 +/- 2.16   0.001% *  0.0249% (0.21   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.76 +/- 1.27   0.000% *  0.0142% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.343, support = 0.02, residual support = 0.222:
          HN    GLN   30 - HN    ALA   34   6.45 +/- 0.34  74.657% *  3.3143% (0.17  1.00   0.02   0.40) =  53.125%  kept
          HN    GLU-  29 - HN    ALA   34   8.55 +/- 0.29  13.772% * 11.4785% (0.61  1.00   0.02   0.02) =  33.939%  kept
          HN    ASP-  86 - HN    LEU   80   9.29 +/- 0.34   8.574% *  3.7738% (0.20  1.00   0.02   0.02) =   6.947%  kept
          HN    GLU-  29 - HN    LEU   80  13.48 +/- 1.88   1.162% * 10.2810% (0.54  1.00   0.02   0.02) =   2.565%  kept
          HN    VAL   18 - HN    ALA   34  15.05 +/- 0.78   0.509% * 13.7422% (0.72  1.00   0.02   0.02) =   1.503%  kept
        T HN    ASP-  86 - HN    ALA   34  21.61 +/- 3.50   0.077% * 42.1332% (0.22 10.00   0.02   0.02) =   0.695%  kept
          HN    GLN   30 - HN    LEU   80  13.80 +/- 2.05   1.035% *  2.9685% (0.16  1.00   0.02   0.02) =   0.660%  kept
          HN    VAL   18 - HN    LEU   80  17.57 +/- 1.42   0.214% * 12.3085% (0.65  1.00   0.02   0.02) =   0.567%  kept
    Distance limit 3.69 A violated in 20 structures by 2.45 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.248, support = 0.02, residual support = 0.205:
          HN    GLN   30 - HN    ALA   34   6.45 +/- 0.34  74.657% *  2.6057% (0.11  1.00   0.02   0.40) =  48.519%  kept
          HN    GLU-  29 - HN    ALA   34   8.55 +/- 0.29  13.772% * 10.1298% (0.41  1.00   0.02   0.02) =  34.794%  kept
          HN    ASP-  86 - HN    LEU   80   9.29 +/- 0.34   8.574% *  4.0782% (0.17  1.00   0.02   0.02) =   8.721%  kept
          HN    GLU-  29 - HN    LEU   80  13.48 +/- 1.88   1.162% * 12.2517% (0.50  1.00   0.02   0.02) =   3.551%  kept
          HN    VAL   18 - HN    ALA   34  15.05 +/- 0.78   0.509% * 15.4172% (0.63  1.00   0.02   0.02) =   1.959%  kept
          HN    VAL   18 - HN    LEU   80  17.57 +/- 1.42   0.214% * 18.6466% (0.76  1.00   0.02   0.02) =   0.997%  kept
          HN    GLN   30 - HN    LEU   80  13.80 +/- 2.05   1.035% *  3.1515% (0.13  1.00   0.02   0.02) =   0.814%  kept
        T HN    ASP-  86 - HN    ALA   34  21.61 +/- 3.50   0.077% * 33.7193% (0.14 10.00   0.02   0.02) =   0.646%  kept
    Distance limit 3.67 A violated in 20 structures by 2.48 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 = 18.7:
        T HN    ASN   35 - HN    ALA   34   2.69 +/- 0.04  99.990% * 98.3004% (0.54 10.00   4.04  18.74) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  21.11 +/- 1.99   0.000% *  1.1889% (0.65 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  18.90 +/- 3.18   0.002% *  0.1428% (0.78  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  13.82 +/- 0.62   0.006% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  18.42 +/- 1.60   0.001% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  29.83 +/- 3.49   0.000% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.15 +/- 1.16   0.000% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.87 +/- 1.58   0.000% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 5.12, residual support = 31.6:
          HN    LYS+  81 - HN    LEU   80   3.47 +/- 0.27  98.676% * 98.6430% (0.94   5.12  31.57) =  99.999%  kept
          HE3   TRP   27 - HN    LEU   80   9.00 +/- 3.01   0.930% *  0.0600% (0.15   0.02  10.87) =   0.001%
          HE3   TRP   27 - HN    ALA   34  10.42 +/- 2.08   0.330% *  0.0496% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  13.39 +/- 0.98   0.033% *  0.3486% (0.85   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  14.67 +/- 0.83   0.021% *  0.2883% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  17.84 +/- 0.60   0.006% *  0.1321% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  21.70 +/- 1.99   0.002% *  0.3186% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.26 +/- 1.16   0.001% *  0.1598% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1103
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     47
      with multiple assignment possibilities :    925
      with given assignment possibilities    :      0
      with unique volume contribution        :    671
      with multiple volume contributions     :    301
      eliminated by violation filter         :     42
 
    Peaks:
      selected                               :   1103
      without assignment                     :     59
      with assignment                        :   1044
      with unique assignment                 :    766
      with multiple assignment               :    278
      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             :    915
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       2.6
    HN    ASP-  62       2.6
 
    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 = 0.541, support = 3.21, residual support = 47.3:
      O T HB2   GLU-  14 - HA    GLU-  14   2.78 +/- 0.15  88.567% * 27.7351% (0.39  10.0 10.00   2.96  48.56) =  75.416%  kept
    * O T HG2   MET   11 - HA    MET   11   3.99 +/- 0.30  11.304% * 70.8328% (1.00  10.0 10.00   4.00  43.63) =  24.582%  kept
        T HB2   GLU-  14 - HA    MET   11  10.10 +/- 1.46   0.066% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    GLU-  14  10.67 +/- 1.16   0.040% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  13.25 +/- 3.07   0.021% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  20.27 +/- 3.13   0.001% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.73 +/- 1.67   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  27.65 +/- 2.06   0.000% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  33.31 +/- 2.05   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  37.22 +/- 2.42   0.000% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.53 +/- 1.79   0.000% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  30.69 +/- 2.38   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  34.92 +/- 2.87   0.000% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  39.96 +/- 3.00   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  29.27 +/- 2.17   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  37.92 +/- 3.35   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 = 0.749, support = 3.58, residual support = 45.6:
    * O T HG3   MET   11 - HA    MET   11   3.29 +/- 0.54  35.778% * 72.0852% (1.00  10.0 10.00   4.00  43.63) =  60.043%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.90 +/- 0.13  64.136% * 26.7596% (0.37  10.0 10.00   2.96  48.56) =  39.956%  kept
        T HB3   GLU-  14 - HA    MET   11  10.48 +/- 1.31   0.050% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HA    GLU-  14  11.05 +/- 1.05   0.029% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  21.51 +/- 3.82   0.002% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  15.15 +/- 1.23   0.004% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.50 +/- 1.63   0.002% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.96 +/- 1.40   0.000% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  24.16 +/- 2.72   0.000% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.78 +/- 1.90   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  31.03 +/- 3.01   0.000% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  31.39 +/- 2.25   0.000% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.25 +/- 1.81   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  39.32 +/- 3.01   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 = 0.539, support = 3.42, residual support = 45.7:
      O T HA    GLU-  14 - HB2   GLU-  14   2.78 +/- 0.15  81.279% * 12.3426% (0.15  10.0 10.00   2.96  48.56) =  53.525%  kept
    * O T HA    MET   11 - HG2   MET   11   3.99 +/- 0.30  10.452% * 80.1714% (1.00  10.0 10.00   4.00  43.63) =  44.708%  kept
          HA    ALA   12 - HG2   MET   11   4.86 +/- 1.02   5.491% *  6.0251% (0.53   1.0  1.00   2.86  12.23) =   1.765%  kept
        T HA    MET   11 - HB2   GLU-  14  10.10 +/- 1.46   0.060% *  0.3002% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11  10.67 +/- 1.16   0.036% *  0.3296% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HB2   GLU-  14   7.03 +/- 1.26   0.679% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   ARG+  54   5.61 +/- 0.63   1.722% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.77 +/- 1.04   0.254% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  14.35 +/- 2.08   0.012% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  15.39 +/- 1.67   0.004% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.52 +/- 1.51   0.006% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  20.71 +/- 3.64   0.001% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.72 +/- 1.77   0.001% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  18.53 +/- 2.35   0.002% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.58 +/- 2.96   0.000% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  24.64 +/- 1.68   0.000% *  0.0277% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.06 +/- 2.59   0.001% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  24.10 +/- 1.81   0.000% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.50 +/- 3.60   0.000% *  0.0740% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.80 +/- 1.76   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  27.65 +/- 2.06   0.000% *  0.0319% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  32.32 +/- 3.39   0.000% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  35.64 +/- 3.05   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  22.51 +/- 2.19   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  37.22 +/- 2.42   0.000% *  0.0775% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  32.36 +/- 2.56   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.64 +/- 1.00   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.08 +/- 2.30   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  40.75 +/- 4.22   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  31.66 +/- 3.18   0.000% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  39.65 +/- 4.92   0.000% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  31.40 +/- 2.20   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  31.39 +/- 2.68   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  40.34 +/- 2.92   0.000% *  0.0301% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  28.88 +/- 1.51   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  33.93 +/- 2.50   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.899, support = 3.3, residual support = 44.3:
    * O T QB    MET   11 - HG2   MET   11   2.20 +/- 0.06  58.828% * 80.4450% (1.00  10.0 10.00   3.31  43.63) =  87.159%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.35 +/- 0.14  40.877% * 17.0553% (0.21  10.0 10.00   3.19  48.56) =  12.840%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.81 +/- 0.59   0.227% *  0.2188% (0.27   1.0 10.00   0.02   1.11) =   0.001%
        T QB    MET   11 - HB2   GLU-  14   9.02 +/- 1.57   0.031% *  0.3012% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11   9.86 +/- 1.60   0.020% *  0.4554% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.50 +/- 1.93   0.004% *  0.5842% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  17.75 +/- 4.74   0.001% *  0.3019% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  14.80 +/- 1.60   0.001% *  0.1131% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.96 +/- 1.79   0.003% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  11.71 +/- 1.41   0.004% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  16.06 +/- 1.63   0.000% *  0.0120% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.29 +/- 1.60   0.001% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.26 +/- 1.86   0.000% *  0.0183% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.85 +/- 2.46   0.000% *  0.0392% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.42 +/- 1.80   0.000% *  0.0565% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.21 +/- 1.69   0.001% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  15.38 +/- 1.93   0.001% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.39 +/- 2.15   0.000% *  0.0440% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.23 +/- 2.89   0.000% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  17.69 +/- 2.10   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.08 +/- 1.55   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  22.05 +/- 2.18   0.000% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  33.09 +/- 2.14   0.000% *  0.0778% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  30.44 +/- 3.58   0.000% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  27.09 +/- 2.43   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.29 +/- 1.81   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  29.60 +/- 2.66   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  34.36 +/- 2.01   0.000% *  0.0292% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  34.44 +/- 2.67   0.000% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  37.38 +/- 3.66   0.000% *  0.0331% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  31.47 +/- 2.01   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.24 +/- 2.16   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  40.46 +/- 2.90   0.000% *  0.0302% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 44.9:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.996% * 72.5786% (1.00  10.0 10.00   4.00  43.63) =  73.842%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.997% * 25.7103% (0.35  10.0 10.00   3.00  48.56) =  26.158%  kept
        T HB3   GLU-  14 - HG2   MET   11  10.71 +/- 1.78   0.003% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  10.74 +/- 1.61   0.002% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  10.36 +/- 1.78   0.002% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  22.89 +/- 2.15   0.000% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  14.24 +/- 1.68   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  12.54 +/- 1.22   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  21.73 +/- 3.96   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  31.13 +/- 2.41   0.000% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  17.74 +/- 1.84   0.000% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  24.05 +/- 3.25   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  27.94 +/- 2.29   0.000% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.83 +/- 1.95   0.000% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.25 +/- 1.27   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  31.05 +/- 3.27   0.000% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  24.36 +/- 1.93   0.000% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  37.62 +/- 2.06   0.000% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  30.37 +/- 2.26   0.000% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  26.03 +/- 1.47   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  39.33 +/- 3.19   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 = 0.826, support = 3.78, residual support = 44.2:
    * O T HA    MET   11 - HG3   MET   11   3.29 +/- 0.54  33.920% * 80.7640% (1.00  10.0 10.00   4.00  43.63) =  78.988%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.90 +/- 0.13  57.746% * 11.7881% (0.15  10.0 10.00   2.96  48.56) =  19.627%  kept
          HA    ALA   12 - HG3   MET   11   4.60 +/- 1.04   7.794% *  6.1629% (0.53   1.0  1.00   2.90  12.23) =   1.385%  kept
        T HA    MET   11 - HB3   GLU-  14  10.48 +/- 1.31   0.044% *  0.2867% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG3   MET   11  11.05 +/- 1.05   0.025% *  0.3320% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   GLU-  14   7.39 +/- 1.30   0.465% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  14.89 +/- 1.47   0.004% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  21.15 +/- 3.49   0.001% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  20.25 +/- 1.44   0.001% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  24.13 +/- 1.28   0.000% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  30.04 +/- 2.91   0.000% *  0.0806% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  31.94 +/- 3.48   0.000% *  0.0746% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  23.83 +/- 1.64   0.000% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  26.41 +/- 1.53   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  32.61 +/- 3.53   0.000% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  22.11 +/- 1.85   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  36.01 +/- 3.12   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  32.00 +/- 2.39   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  41.09 +/- 4.34   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  31.29 +/- 3.01   0.000% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  31.92 +/- 2.26   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  39.98 +/- 5.05   0.000% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  31.06 +/- 2.71   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  40.78 +/- 3.00   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 = 3.29, residual support = 44.7:
    * O T QB    MET   11 - HG3   MET   11   2.53 +/- 0.06  41.197% * 81.3901% (1.00  10.0 10.00   3.31  43.63) =  78.014%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.39 +/- 0.15  57.748% * 16.3595% (0.20  10.0 10.00   3.19  48.56) =  21.981%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.46 +/- 0.94   0.986% *  0.2098% (0.26   1.0 10.00   0.02   1.11) =   0.005%
        T QB    MET   11 - HB3   GLU-  14   9.31 +/- 1.42   0.038% *  0.2890% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG3   MET   11  10.19 +/- 1.40   0.018% *  0.4608% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  12.88 +/- 1.76   0.004% *  0.5910% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  18.01 +/- 4.57   0.002% *  0.3055% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  14.47 +/- 1.75   0.002% *  0.1084% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  12.50 +/- 1.35   0.004% *  0.0141% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  17.79 +/- 1.56   0.000% *  0.0175% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  22.35 +/- 2.35   0.000% *  0.0396% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  27.71 +/- 2.85   0.000% *  0.0494% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  21.75 +/- 1.91   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  30.75 +/- 3.70   0.000% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  26.68 +/- 1.93   0.000% *  0.0089% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  23.82 +/- 1.35   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  29.25 +/- 2.45   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  37.73 +/- 3.86   0.000% *  0.0335% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  34.92 +/- 2.70   0.000% *  0.0251% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  31.06 +/- 1.71   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  32.78 +/- 2.00   0.000% *  0.0126% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  40.93 +/- 2.93   0.000% *  0.0305% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 44.9:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.997% * 71.8618% (1.00  10.0 10.00   4.00  43.63) =  73.842%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.998% * 25.4564% (0.35  10.0 10.00   3.00  48.56) =  26.158%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.74 +/- 1.61   0.002% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  10.71 +/- 1.78   0.003% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  14.10 +/- 2.87   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  33.61 +/- 2.03   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  20.50 +/- 3.52   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  40.46 +/- 3.05   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  24.36 +/- 1.66   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  27.94 +/- 2.29   0.000% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  25.46 +/- 2.05   0.000% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  37.62 +/- 2.06   0.000% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  30.68 +/- 2.46   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  35.31 +/- 2.79   0.000% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  28.98 +/- 2.31   0.000% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  38.30 +/- 3.41   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 = 0.873, support = 3.39, residual support = 44.4:
    * O T HA    MET   11 - QB    MET   11   2.31 +/- 0.14  42.755% * 85.1002% (1.00  10.0 10.00   3.38  43.63) =  85.306%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.23 +/- 0.29  55.191% * 11.3536% (0.13  10.0 10.00   3.47  48.56) =  14.691%  kept
          HA    ALA   12 - QB    MET   11   4.08 +/- 0.19   1.500% *  0.0448% (0.53   1.0  1.00   0.02  12.23) =   0.002%
        T HA    GLU-  14 - QG    GLU-  15   5.30 +/- 0.63   0.389% *  0.0843% (0.10   1.0 10.00   0.02   1.11) =   0.001%
        T HA    GLU-  14 - QB    MET   11   9.31 +/- 0.76   0.011% *  0.3499% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.79 +/- 1.21   0.010% *  0.2762% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   6.90 +/- 0.64   0.067% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  12.49 +/- 1.48   0.003% *  0.2052% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.87 +/- 1.67   0.037% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15   8.98 +/- 1.52   0.022% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.45 +/- 1.37   0.001% *  0.2047% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  18.20 +/- 1.55   0.000% *  0.2756% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36   9.86 +/- 1.21   0.009% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  26.31 +/- 2.35   0.000% *  0.8491% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  14.46 +/- 1.67   0.001% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  28.67 +/- 3.17   0.000% *  0.4818% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  18.49 +/- 2.63   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  17.63 +/- 4.30   0.001% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.51 +/- 1.52   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  16.78 +/- 3.51   0.001% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  15.84 +/- 1.81   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  18.29 +/- 0.85   0.000% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  22.32 +/- 1.58   0.000% *  0.0255% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  20.90 +/- 1.61   0.000% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  28.10 +/- 2.70   0.000% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.39 +/- 1.60   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  26.54 +/- 1.27   0.000% *  0.0600% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.62 +/- 1.24   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.65 +/- 2.70   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  17.64 +/- 1.55   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  19.40 +/- 1.84   0.000% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.77 +/- 1.30   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  21.52 +/- 0.88   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  36.23 +/- 3.76   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  28.53 +/- 2.12   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  27.38 +/- 2.12   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  35.26 +/- 4.38   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  28.08 +/- 2.60   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  27.20 +/- 2.61   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  26.55 +/- 2.91   0.000% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  27.98 +/- 1.83   0.000% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  26.32 +/- 2.18   0.000% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.03 +/- 1.27   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  35.88 +/- 2.95   0.000% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  27.89 +/- 4.04   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  30.52 +/- 2.89   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  28.02 +/- 1.43   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  36.33 +/- 1.76   0.000% *  0.0040% (0.05   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 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 = 0.876, support = 3.29, residual support = 44.5:
    * O T HG2   MET   11 - QB    MET   11   2.20 +/- 0.06  58.765% * 73.8446% (1.00  10.0 10.00   3.31  43.63) =  81.642%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.35 +/- 0.14  40.806% * 23.9110% (0.32  10.0 10.00   3.19  48.56) =  18.357%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.81 +/- 0.59   0.227% *  0.1776% (0.24   1.0 10.00   0.02   1.11) =   0.001%
        T HB2   GLU-  14 - QB    MET   11   9.02 +/- 1.57   0.031% *  0.7368% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14   9.86 +/- 1.60   0.020% *  0.2396% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15   7.93 +/- 2.31   0.141% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  12.50 +/- 1.93   0.004% *  0.1780% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  17.75 +/- 4.74   0.001% *  0.0920% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  14.80 +/- 1.60   0.001% *  0.0918% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  13.25 +/- 2.83   0.003% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  17.84 +/- 2.75   0.000% *  0.0205% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  19.10 +/- 1.18   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  21.45 +/- 1.85   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  24.39 +/- 2.15   0.000% *  0.0420% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  23.42 +/- 1.80   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  29.52 +/- 2.05   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  30.67 +/- 1.67   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  20.29 +/- 1.44   0.000% *  0.0073% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  33.09 +/- 2.14   0.000% *  0.1293% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  22.57 +/- 2.11   0.000% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  18.12 +/- 1.85   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  25.48 +/- 2.20   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  27.05 +/- 2.23   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  34.43 +/- 1.70   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  31.04 +/- 2.33   0.000% *  0.0304% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  35.57 +/- 2.68   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  22.51 +/- 1.91   0.000% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  26.10 +/- 2.32   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  34.36 +/- 2.01   0.000% *  0.0161% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  33.71 +/- 2.66   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.31 +/- 1.02   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  27.81 +/- 0.86   0.000% *  0.0012% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 20 (1.92, 2.29, 36.10 ppm):
    28 chemical-shift based assignments, quality = 0.791, support = 3.28, residual support = 45.1:
    * O T HG3   MET   11 - QB    MET   11   2.53 +/- 0.06  41.184% * 75.1074% (1.00  10.0 10.00   3.31  43.63) =  69.911%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.39 +/- 0.15  57.731% * 23.0568% (0.31  10.0 10.00   3.19  48.56) =  30.085%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.46 +/- 0.94   0.986% *  0.1713% (0.23   1.0 10.00   0.02   1.11) =   0.004%
        T HB3   GLU-  14 - QB    MET   11   9.31 +/- 1.42   0.038% *  0.7105% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - QG    GLU-  14  10.19 +/- 1.40   0.018% *  0.2437% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.88 +/- 1.76   0.004% *  0.1811% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  18.01 +/- 4.57   0.002% *  0.0936% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  14.47 +/- 1.75   0.002% *  0.0885% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.65 +/- 1.66   0.015% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  11.30 +/- 1.48   0.007% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  12.85 +/- 1.58   0.003% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  19.25 +/- 3.25   0.001% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.51 +/- 0.96   0.005% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  16.81 +/- 1.66   0.001% *  0.0124% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  16.33 +/- 1.66   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  13.81 +/- 1.07   0.002% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.46 +/- 2.30   0.000% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.69 +/- 1.32   0.000% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.36 +/- 1.69   0.000% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.42 +/- 1.50   0.000% *  0.0503% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.73 +/- 2.07   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.62 +/- 1.92   0.000% *  0.0678% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.64 +/- 2.51   0.000% *  0.0516% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  19.99 +/- 0.82   0.000% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.80 +/- 2.26   0.000% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  34.99 +/- 2.69   0.000% *  0.0209% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  29.80 +/- 2.01   0.000% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  31.02 +/- 1.15   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 = 12.3:
    * O T QB    ALA   12 - HA    ALA   12   2.12 +/- 0.01  99.998% * 99.1918% (0.82  10.0 10.00   2.00  12.28) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  16.33 +/- 2.95   0.001% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  20.73 +/- 3.12   0.001% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  20.30 +/- 2.30   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  21.33 +/- 2.30   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  21.39 +/- 2.03   0.000% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  23.35 +/- 2.42   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  31.32 +/- 3.58   0.000% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  28.87 +/- 3.80   0.000% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  32.35 +/- 2.45   0.000% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  32.34 +/- 2.84   0.000% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  37.06 +/- 2.54   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  31.83 +/- 2.62   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 = 12.3:
    * O T HA    ALA   12 - QB    ALA   12   2.12 +/- 0.01  96.644% * 99.5569% (0.82  10.0 10.00   2.00  12.28) =  99.999%  kept
          HA    MET   11 - QB    ALA   12   3.77 +/- 0.08   3.126% *  0.0286% (0.24   1.0  1.00   0.02  12.23) =   0.001%
          HA    GLU-  14 - QB    ALA   12   6.04 +/- 0.61   0.230% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  25.75 +/- 2.13   0.000% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  22.03 +/- 2.12   0.000% *  0.0256% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  30.63 +/- 3.54   0.000% *  0.1029% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  27.02 +/- 2.37   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  30.89 +/- 3.63   0.000% *  0.0286% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  31.43 +/- 3.08   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 = 0.93, support = 2.02, residual support = 10.2:
    * O T QB    SER   13 - HA    SER   13   2.43 +/- 0.12  75.231% * 64.9056% (1.00  10.0 10.00   1.93   7.55) =  85.942%  kept
      O T HB3   SER   37 - HA    SER   37   2.95 +/- 0.14  24.344% * 32.8086% (0.51  10.0 10.00   2.58  26.47) =  14.058%  kept
          HB    THR   39 - HA    SER   37   6.23 +/- 0.53   0.316% *  0.0346% (0.53   1.0  1.00   0.02   2.97) =   0.000%
        T HB3   SER   37 - HA    SER   13  13.55 +/- 2.53   0.005% *  0.6140% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  13.81 +/- 3.09   0.007% *  0.3468% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.44 +/- 1.40   0.042% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   8.99 +/- 0.95   0.037% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  14.58 +/- 2.07   0.002% *  0.0648% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.98 +/- 0.56   0.009% *  0.0096% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.78 +/- 1.39   0.002% *  0.0238% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.46 +/- 0.74   0.001% *  0.0341% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  15.31 +/- 2.15   0.002% *  0.0180% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  24.44 +/- 1.92   0.000% *  0.3928% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.23 +/- 0.65   0.000% *  0.3716% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.26 +/- 0.63   0.000% *  0.0392% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  19.09 +/- 0.86   0.000% *  0.0109% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.21 +/- 1.27   0.000% *  0.0210% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  27.98 +/- 3.89   0.000% *  0.0301% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  28.53 +/- 1.64   0.000% *  0.0394% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  31.08 +/- 2.87   0.000% *  0.0563% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  33.85 +/- 2.87   0.000% *  0.0614% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  30.45 +/- 2.40   0.000% *  0.0328% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  34.43 +/- 2.32   0.000% *  0.0221% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  35.16 +/- 1.06   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 = 0.931, support = 2.03, residual support = 10.3:
    * O T HA    SER   13 - QB    SER   13   2.43 +/- 0.12  75.061% * 63.8850% (1.00  10.0 10.00   1.93   7.55) =  85.382%  kept
      O T HA    SER   37 - HB3   SER   37   2.95 +/- 0.14  24.285% * 33.8056% (0.53  10.0 10.00   2.58  26.47) =  14.618%  kept
          HA    GLU-  15 - QB    SER   13   6.97 +/- 0.69   0.174% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   SER   37   6.00 +/- 0.36   0.369% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.55 +/- 2.53   0.005% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.32 +/- 0.31   0.050% *  0.0565% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  13.81 +/- 3.09   0.007% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  10.78 +/- 1.29   0.012% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.75 +/- 0.91   0.012% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37   9.96 +/- 0.66   0.018% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.00 +/- 0.96   0.001% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.61 +/- 2.22   0.001% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  24.44 +/- 1.92   0.000% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.23 +/- 0.65   0.000% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  20.82 +/- 1.60   0.000% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  17.96 +/- 2.79   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  19.97 +/- 3.06   0.001% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.69 +/- 0.89   0.000% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  21.70 +/- 2.06   0.000% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.62 +/- 2.28   0.000% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  25.16 +/- 1.42   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  26.34 +/- 1.28   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 = 0.971, support = 3.01, residual support = 48.3:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.78 +/- 0.15  88.561% * 70.8449% (1.00  10.0 10.00   2.96  48.56) =  95.240%  kept
      O T HG2   MET   11 - HA    MET   11   3.99 +/- 0.30  11.302% * 27.7398% (0.39  10.0 10.00   4.00  43.63) =   4.759%  kept
        T HG2   MET   11 - HA    GLU-  14  10.67 +/- 1.16   0.040% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    MET   11  10.10 +/- 1.46   0.066% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  13.25 +/- 3.07   0.021% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  16.26 +/- 1.29   0.003% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  19.36 +/- 4.17   0.005% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.73 +/- 1.67   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  27.65 +/- 2.06   0.000% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  20.27 +/- 3.13   0.001% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.53 +/- 1.79   0.000% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  30.69 +/- 2.38   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  33.31 +/- 2.05   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  37.22 +/- 2.42   0.000% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  39.96 +/- 3.00   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  34.92 +/- 2.87   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 = 0.886, support = 3.45, residual support = 47.6:
    * O T QG    GLU-  14 - HA    GLU-  14   2.23 +/- 0.29  56.093% * 45.0668% (1.00  10.0 10.00   3.47  48.56) =  84.815%  kept
      O T QB    MET   11 - HA    MET   11   2.31 +/- 0.14  43.480% * 10.0127% (0.22  10.0 10.00   3.38  43.63) =  14.607%  kept
        T QG    GLU-  15 - HA    GLU-  14   5.30 +/- 0.63   0.396% * 43.4925% (0.97   1.0 10.00   2.65   1.11) =   0.578%  kept
        T QB    MET   11 - HA    GLU-  14   9.31 +/- 0.76   0.012% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    MET   11   9.79 +/- 1.21   0.010% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  12.49 +/- 1.48   0.003% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  18.11 +/- 1.31   0.000% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  12.59 +/- 1.30   0.002% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  21.57 +/- 4.27   0.003% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  27.23 +/- 2.69   0.000% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  17.11 +/- 1.03   0.000% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  21.91 +/- 2.12   0.000% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  23.48 +/- 1.38   0.000% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  29.88 +/- 2.14   0.000% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  37.24 +/- 3.93   0.000% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  31.32 +/- 1.47   0.000% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  32.43 +/- 1.81   0.000% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  40.52 +/- 2.72   0.000% *  0.0039% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.98, support = 2.97, residual support = 48.3:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.78 +/- 0.15  82.897% * 81.8182% (1.00  10.0 10.00   2.96  48.56) =  97.715%  kept
      O T HA    MET   11 - HG2   MET   11   3.99 +/- 0.30  10.669% * 12.5961% (0.15  10.0 10.00   4.00  43.63) =   1.936%  kept
          HA    ALA   12 - HG2   MET   11   4.86 +/- 1.02   5.622% *  4.2899% (0.37   1.0  1.00   2.86  12.23) =   0.347%
          HA    ALA   12 - HB2   GLU-  14   7.03 +/- 1.26   0.693% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   GLU-  14  10.10 +/- 1.46   0.061% *  0.3364% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG2   MET   11  10.67 +/- 1.16   0.037% *  0.3064% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  14.35 +/- 2.08   0.012% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.52 +/- 1.51   0.006% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.72 +/- 1.77   0.001% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  27.65 +/- 2.06   0.000% *  0.1203% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  26.69 +/- 1.72   0.000% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  31.66 +/- 3.18   0.000% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  24.64 +/- 1.68   0.000% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.08 +/- 2.30   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.80 +/- 1.76   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.06 +/- 2.59   0.001% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.81 +/- 0.89   0.000% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  32.36 +/- 2.56   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  33.24 +/- 3.45   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.58 +/- 2.96   0.000% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  37.22 +/- 2.42   0.000% *  0.0495% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  21.81 +/- 2.06   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  31.76 +/- 3.45   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  39.65 +/- 4.92   0.000% *  0.0304% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.64 +/- 1.00   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.50 +/- 3.60   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  33.93 +/- 2.50   0.000% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  35.64 +/- 3.05   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  40.75 +/- 4.22   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  40.07 +/- 4.70   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 = 0.816, support = 3.22, residual support = 47.4:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.35 +/- 0.14  40.878% * 80.2785% (1.00  10.0 10.00   3.19  48.56) =  76.618%  kept
      O T QB    MET   11 - HG2   MET   11   2.20 +/- 0.06  58.830% * 17.0200% (0.21  10.0 10.00   3.31  43.63) =  23.378%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.81 +/- 0.59   0.227% *  0.7747% (0.97   1.0 10.00   0.02   1.11) =   0.004%
        T QB    MET   11 - HB2   GLU-  14   9.02 +/- 1.57   0.031% *  0.4545% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11   9.86 +/- 1.60   0.020% *  0.3006% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.50 +/- 1.93   0.004% *  0.2901% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.96 +/- 1.79   0.003% *  0.0796% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  16.06 +/- 1.63   0.000% *  0.0811% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.26 +/- 1.86   0.000% *  0.0801% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.29 +/- 1.60   0.001% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  15.72 +/- 0.97   0.000% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  11.58 +/- 1.74   0.004% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  15.38 +/- 1.93   0.001% *  0.0114% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.42 +/- 1.80   0.000% *  0.1139% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.39 +/- 2.15   0.000% *  0.1181% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  21.96 +/- 4.40   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.08 +/- 1.55   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.85 +/- 2.46   0.000% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.29 +/- 1.81   0.000% *  0.0551% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  29.60 +/- 2.66   0.000% *  0.0775% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.23 +/- 2.89   0.000% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  33.09 +/- 2.14   0.000% *  0.0668% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.24 +/- 2.16   0.000% *  0.0207% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  31.50 +/- 1.90   0.000% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  37.38 +/- 3.66   0.000% *  0.0290% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  28.11 +/- 2.05   0.000% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  40.49 +/- 2.73   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.919, support = 3.46, residual support = 48.1:
    * O T HA    GLU-  14 - QG    GLU-  14   2.23 +/- 0.29  55.208% * 85.4905% (1.00  10.0 10.00   3.47  48.56) =  90.626%  kept
      O T HA    MET   11 - QB    MET   11   2.31 +/- 0.14  42.772% * 11.4057% (0.13  10.0 10.00   3.38  43.63) =   9.367%  kept
        T HA    GLU-  14 - QG    GLU-  15   5.30 +/- 0.63   0.389% *  0.7522% (0.88   1.0 10.00   0.02   1.11) =   0.006%
          HA    ALA   12 - QB    MET   11   4.08 +/- 0.19   1.501% *  0.0272% (0.32   1.0  1.00   0.02  12.23) =   0.001%
          HA    ALA   12 - QG    GLU-  14   6.90 +/- 0.64   0.067% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.79 +/- 1.21   0.010% *  0.3515% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.31 +/- 0.76   0.011% *  0.2774% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.87 +/- 1.67   0.037% *  0.0737% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  12.49 +/- 1.48   0.003% *  0.3092% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.45 +/- 1.37   0.001% *  0.2823% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  18.20 +/- 1.55   0.000% *  0.3209% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  18.85 +/- 1.58   0.000% *  0.0602% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.51 +/- 1.52   0.000% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  26.31 +/- 2.35   0.000% *  0.1041% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  24.19 +/- 1.61   0.000% *  0.0685% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  26.55 +/- 2.91   0.000% *  0.0746% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  28.08 +/- 2.60   0.000% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.39 +/- 1.60   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  22.32 +/- 1.58   0.000% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.62 +/- 1.24   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  28.53 +/- 2.12   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  27.38 +/- 2.12   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  26.00 +/- 2.94   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  29.67 +/- 2.50   0.000% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  28.16 +/- 2.86   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  35.26 +/- 4.38   0.000% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  28.10 +/- 2.70   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.65 +/- 2.70   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  36.23 +/- 3.76   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  35.65 +/- 4.20   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 = 0.875, support = 3.21, residual support = 47.7:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.39 +/- 0.15  57.743% * 74.4402% (1.00  10.0 10.00   3.19  48.56) =  82.024%  kept
      O T HG3   MET   11 - QB    MET   11   2.53 +/- 0.06  41.193% * 22.8520% (0.31  10.0 10.00   3.31  43.63) =  17.963%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.46 +/- 0.94   0.986% *  0.6550% (0.88   1.0 10.00   0.02   1.11) =   0.012%
        T HG3   MET   11 - QG    GLU-  14  10.19 +/- 1.40   0.018% *  0.7042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - QB    MET   11   9.31 +/- 1.42   0.038% *  0.2416% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.88 +/- 1.76   0.004% *  0.6196% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.65 +/- 1.66   0.015% *  0.0319% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  16.81 +/- 1.66   0.001% *  0.0568% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  16.33 +/- 1.66   0.001% *  0.0362% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.36 +/- 1.69   0.000% *  0.0646% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.69 +/- 1.32   0.000% *  0.0182% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.42 +/- 1.50   0.000% *  0.1011% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.73 +/- 2.07   0.000% *  0.0207% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.62 +/- 1.92   0.000% *  0.1149% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.46 +/- 2.30   0.000% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.64 +/- 2.51   0.000% *  0.0210% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.80 +/- 2.26   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  34.99 +/- 2.69   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 = 0.998, support = 2.05, residual support = 10.4:
    * O T QG    GLU-  15 - HA    GLU-  15   2.43 +/- 0.57  94.882% * 49.8424% (1.00  10.0 10.00   2.01  10.90) =  95.244%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.74 +/- 0.73   4.909% * 48.1014% (0.97   1.0 10.00   2.80   1.11) =   4.756%  kept
        T QG    GLU-  15 - HA    LEU   40  11.21 +/- 1.54   0.023% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  15  12.22 +/- 1.18   0.018% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  15   8.68 +/- 0.98   0.099% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  16.52 +/- 1.64   0.003% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    LEU   40  11.03 +/- 0.47   0.023% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  13.14 +/- 1.31   0.007% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.21 +/- 0.53   0.008% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  14.38 +/- 0.84   0.004% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  17.19 +/- 1.67   0.002% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  21.58 +/- 2.53   0.000% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  14.95 +/- 1.77   0.003% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  20.44 +/- 3.35   0.001% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  15.12 +/- 0.75   0.003% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  15.68 +/- 0.59   0.003% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.74 +/- 0.52   0.003% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  19.65 +/- 1.22   0.001% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.96 +/- 0.25   0.008% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  17.94 +/- 0.81   0.001% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  23.97 +/- 1.38   0.000% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  27.05 +/- 1.67   0.000% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  22.08 +/- 1.86   0.000% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  24.20 +/- 0.73   0.000% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  26.42 +/- 1.78   0.000% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  27.86 +/- 1.05   0.000% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  28.89 +/- 0.97   0.000% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 10.9:
    * O T QB    GLU-  15 - HA    GLU-  15   2.43 +/- 0.15  97.096% * 95.2027% (1.00  10.0 10.00   3.00  10.90) =  99.991%  kept
        T HB2   GLN   17 - HA    GLU-  15   5.64 +/- 0.72   0.847% *  0.9520% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   PRO   68 - HA    GLU-  15  10.69 +/- 2.52   0.041% *  0.7623% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   6.45 +/- 0.76   0.421% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  12.22 +/- 1.38   0.008% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU-  15   7.84 +/- 0.69   0.104% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   5.63 +/- 1.02   1.360% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  12.46 +/- 1.29   0.007% *  0.6165% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  16.47 +/- 1.28   0.001% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15  10.72 +/- 0.65   0.015% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  11.72 +/- 2.04   0.015% *  0.0375% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  11.74 +/- 1.66   0.012% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  12.37 +/- 0.56   0.006% *  0.0436% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.29 +/- 1.28   0.013% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.88 +/- 0.80   0.014% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  12.76 +/- 0.82   0.005% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  13.86 +/- 1.34   0.003% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  12.03 +/- 0.69   0.008% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.63 +/- 0.56   0.015% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.18 +/- 0.81   0.000% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  17.73 +/- 1.26   0.001% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.05 +/- 0.60   0.000% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  14.45 +/- 0.62   0.002% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  16.22 +/- 1.89   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  23.04 +/- 1.54   0.000% *  0.0763% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  17.74 +/- 0.73   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  18.67 +/- 1.17   0.001% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  17.77 +/- 1.27   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  17.46 +/- 2.07   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  24.02 +/- 1.25   0.000% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  19.72 +/- 1.06   0.000% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  20.88 +/- 1.43   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  28.77 +/- 1.67   0.000% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  23.50 +/- 1.31   0.000% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.47 +/- 1.53   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  23.50 +/- 2.00   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 = 0.995, support = 2.04, residual support = 10.5:
    * O T HA    GLU-  15 - QG    GLU-  15   2.43 +/- 0.57  88.872% * 52.1759% (1.00  10.0 10.00   2.01  10.90) =  96.262%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.74 +/- 0.73   3.914% * 45.9069% (0.88   1.0 10.00   2.80   1.11) =   3.731%  kept
          HA    SER   13 - QG    GLU-  15   6.89 +/- 1.41   4.307% *  0.0522% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HA    SER   13 - QG    GLU-  14   5.12 +/- 0.56   1.842% *  0.0459% (0.88   1.0  1.00   0.02   6.68) =   0.002%
        T HA    LEU   40 - QG    GLU-  15  11.21 +/- 1.54   0.020% *  0.4936% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  15   6.52 +/- 0.50   0.319% *  0.0295% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QB    MET   11   6.41 +/- 0.70   0.493% *  0.0126% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  14   8.15 +/- 0.92   0.142% *  0.0260% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  12.22 +/- 1.18   0.013% *  0.1258% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15  10.15 +/- 1.09   0.042% *  0.0295% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  16.52 +/- 1.64   0.002% *  0.4343% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  13.14 +/- 1.31   0.006% *  0.1162% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  14.08 +/- 1.67   0.007% *  0.0260% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  17.19 +/- 1.67   0.001% *  0.1022% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  16.23 +/- 1.24   0.001% *  0.0521% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  18.24 +/- 1.85   0.001% *  0.0458% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  21.58 +/- 2.53   0.000% *  0.1190% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  15.85 +/- 2.27   0.002% *  0.0178% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  13.32 +/- 1.45   0.005% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  15.85 +/- 3.27   0.003% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  20.44 +/- 3.35   0.001% *  0.0280% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  16.46 +/- 1.22   0.002% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  19.56 +/- 1.49   0.000% *  0.0338% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  20.88 +/- 1.89   0.000% *  0.0297% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  21.22 +/- 2.04   0.000% *  0.0157% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  19.99 +/- 1.32   0.000% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  18.61 +/- 1.58   0.001% *  0.0062% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  22.35 +/- 1.72   0.000% *  0.0114% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  26.49 +/- 1.90   0.000% *  0.0126% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  26.68 +/- 2.18   0.000% *  0.0043% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  29.50 +/- 2.57   0.000% *  0.0081% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.46 +/- 2.66   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  30.76 +/- 1.68   0.000% *  0.0031% (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 = 84.3:
    * O T HB2   GLN   17 - HA    GLN   17   2.66 +/- 0.21  98.511% * 97.7872% (1.00  10.0 10.00   4.00  84.34) =  99.989%  kept
        T HB3   PRO   68 - HA    GLN   17   9.92 +/- 3.05   0.773% *  0.7830% (0.80   1.0 10.00   0.02   0.02) =   0.006%
        T QB    GLU-  15 - HA    GLN   17   6.74 +/- 0.20   0.425% *  0.9779% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HA    GLN   17   8.08 +/- 0.44   0.158% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17  10.81 +/- 2.11   0.111% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  12.95 +/- 1.07   0.009% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  13.13 +/- 1.03   0.009% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  20.85 +/- 0.50   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  20.63 +/- 1.31   0.001% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  16.98 +/- 1.53   0.002% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  24.47 +/- 1.78   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  20.97 +/- 1.01   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 = 84.3:
    * O T QG    GLN   17 - HA    GLN   17   2.57 +/- 0.50  99.921% * 98.5118% (0.76  10.0 10.00   4.31  84.34) =  99.999%  kept
        T HB    VAL   70 - HA    GLN   17   9.66 +/- 1.11   0.072% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLN   17  16.75 +/- 0.94   0.002% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  17.26 +/- 0.92   0.002% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  19.99 +/- 1.28   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  20.47 +/- 0.43   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  19.59 +/- 1.66   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 = 0.198, support = 3.5, residual support = 47.8:
    * O T HA    GLN   17 - HB2   GLN   17   2.66 +/- 0.21  38.530% * 57.9333% (0.24  10.0 10.00   4.00  84.34) =  50.197%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.43 +/- 0.15  60.141% * 36.8149% (0.15  10.0 10.00   3.00  10.90) =  49.791%  kept
        T HA    GLN   17 - HB3   PRO   68   9.92 +/- 3.05   0.158% *  1.4535% (0.61   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLU-  15 - HB2   GLN   17   5.64 +/- 0.72   0.604% *  0.3280% (0.14   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLN   17 - QB    GLU-  15   6.74 +/- 0.20   0.130% *  0.6503% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB3   PRO   68  10.69 +/- 2.52   0.026% *  0.8229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QB    GLU-  15   5.80 +/- 0.46   0.366% *  0.0368% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  12.46 +/- 1.29   0.004% *  0.5455% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  12.22 +/- 1.38   0.005% *  0.2441% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  10.54 +/- 1.40   0.012% *  0.0650% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  11.24 +/- 1.30   0.008% *  0.0328% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  15.15 +/- 2.86   0.002% *  0.0823% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  13.94 +/- 0.79   0.002% *  0.0882% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  16.47 +/- 1.28   0.001% *  0.2174% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  15.46 +/- 1.31   0.001% *  0.1454% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  13.19 +/- 1.52   0.003% *  0.0305% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  13.42 +/- 0.97   0.002% *  0.0394% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  15.60 +/- 1.37   0.001% *  0.0765% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  14.40 +/- 0.79   0.001% *  0.0351% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  17.17 +/- 1.46   0.001% *  0.0574% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  17.87 +/- 1.41   0.000% *  0.0579% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  16.69 +/- 0.85   0.001% *  0.0342% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  22.66 +/- 1.09   0.000% *  0.1441% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  20.31 +/- 0.72   0.000% *  0.0645% (0.27   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 = 84.3:
    * O T QG    GLN   17 - HB2   GLN   17   2.41 +/- 0.10  98.462% * 84.9728% (0.18  10.0 10.00   4.31  84.34) =  99.971%  kept
        T QG    GLN   17 - HB3   PRO   68   9.94 +/- 3.29   0.528% *  2.1320% (0.46   1.0 10.00   0.02   0.02) =   0.013%
        T QG    GLN   17 - QB    GLU-  15   5.68 +/- 0.55   0.688% *  0.9538% (0.21   1.0 10.00   0.02   0.02) =   0.008%
        T HB    VAL   70 - HB3   PRO   68   6.99 +/- 0.99   0.254% *  2.3301% (0.51   1.0 10.00   0.02   1.07) =   0.007%
        T HB    VAL   70 - QB    GLU-  15   9.11 +/- 1.02   0.048% *  1.0424% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HB2   GLN   17  11.68 +/- 1.00   0.010% *  0.9287% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  16.46 +/- 2.17   0.002% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  14.91 +/- 1.49   0.002% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  18.32 +/- 0.75   0.001% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  19.14 +/- 0.57   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  21.05 +/- 1.30   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  18.11 +/- 0.86   0.001% *  0.2765% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  26.59 +/- 1.50   0.000% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  16.87 +/- 1.89   0.001% *  0.0952% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  16.98 +/- 0.91   0.001% *  0.1237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  16.35 +/- 1.30   0.001% *  0.0629% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  17.71 +/- 0.93   0.001% *  0.1102% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.56 +/- 0.77   0.000% *  0.0707% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  19.68 +/- 1.67   0.000% *  0.0426% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  25.01 +/- 1.38   0.000% *  0.1579% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  21.49 +/- 1.50   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 = 84.3:
    * O T HA    GLN   17 - QG    GLN   17   2.57 +/- 0.50  85.114% * 99.2429% (0.76  10.0 10.00   4.31  84.34) =  99.990%  kept
          HA    GLU-  15 - QG    GLN   17   4.72 +/- 0.91  14.216% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.009%
        T HA    GLN   17 - HB    VAL   70   9.66 +/- 1.11   0.043% *  0.2033% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG    GLN   17   9.37 +/- 1.01   0.064% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   6.94 +/- 0.93   0.318% *  0.0076% (0.06   1.0  1.00   0.02  35.85) =   0.000%
          HA    VAL   42 - HB    VAL   70   7.49 +/- 0.51   0.181% *  0.0123% (0.09   1.0  1.00   0.02   1.32) =   0.000%
          HA    PRO   58 - QG    GLN   17  12.19 +/- 1.34   0.009% *  0.0522% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  13.54 +/- 0.83   0.006% *  0.0602% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70  10.33 +/- 1.22   0.029% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  15.91 +/- 1.22   0.002% *  0.0992% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  16.47 +/- 0.99   0.002% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  13.03 +/- 0.89   0.007% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  14.96 +/- 1.17   0.003% *  0.0372% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  14.35 +/- 1.31   0.004% *  0.0107% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  18.16 +/- 0.53   0.001% *  0.0201% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  16.47 +/- 1.31   0.001% *  0.0115% (0.09   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 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.3:
    * O T HB2   GLN   17 - QG    GLN   17   2.41 +/- 0.10  97.228% * 95.9708% (0.76  10.0 10.00   4.31  84.34) =  99.988%  kept
        T QB    GLU-  15 - QG    GLN   17   5.68 +/- 0.55   0.680% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   PRO   68 - QG    GLN   17   9.94 +/- 3.29   0.525% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   PRO   68 - HB    VAL   70   6.99 +/- 0.99   0.249% *  0.1574% (0.13   1.0 10.00   0.02   1.07) =   0.000%
          HB    ILE   19 - QG    GLN   17   7.76 +/- 1.26   0.176% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB    VAL   70   9.11 +/- 1.02   0.047% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   6.31 +/- 1.69   0.953% *  0.0096% (0.08   1.0  1.00   0.02   1.07) =   0.000%
          HG2   PRO   68 - QG    GLN   17  10.91 +/- 2.53   0.068% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  11.68 +/- 1.00   0.009% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  18.56 +/- 1.55   0.001% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17  11.74 +/- 1.58   0.012% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  12.92 +/- 0.97   0.005% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.58 +/- 0.66   0.016% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  12.24 +/- 1.42   0.008% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  19.91 +/- 1.12   0.000% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  12.42 +/- 1.84   0.010% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  22.01 +/- 0.81   0.000% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  13.63 +/- 1.24   0.004% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  12.34 +/- 0.99   0.006% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  20.26 +/- 1.19   0.000% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  17.21 +/- 1.53   0.001% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  16.50 +/- 0.97   0.001% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  23.85 +/- 1.51   0.000% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  21.04 +/- 1.56   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 = 77.2:
    * O T HB    VAL   18 - HA    VAL   18   2.69 +/- 0.32  99.553% * 99.6862% (1.00  10.0 10.00   3.44  77.16) = 100.000%  kept
          HB2   LEU   67 - HA    VAL   18   7.78 +/- 1.25   0.428% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    VAL   18  12.53 +/- 1.03   0.011% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  15.34 +/- 1.30   0.004% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  18.50 +/- 1.94   0.002% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  17.52 +/- 1.62   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 = 77.2:
    * O T QG1   VAL   18 - HA    VAL   18   2.60 +/- 0.22  98.843% * 98.7319% (1.00  10.0 10.00   4.00  77.16) =  99.998%  kept
        T QG1   VAL   70 - HA    VAL   18   8.65 +/- 1.08   0.140% *  0.9678% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    VAL   18   6.92 +/- 1.47   0.927% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    VAL   18   9.12 +/- 1.50   0.082% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  13.78 +/- 1.69   0.007% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  17.95 +/- 0.93   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  17.18 +/- 1.30   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 0.00 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.993, support = 4.01, residual support = 75.7:
    * O T QG2   VAL   18 - HA    VAL   18   2.60 +/- 0.52  85.417% * 85.3087% (1.00  10.0 10.00   4.00  77.16) =  97.418%  kept
          QD1   ILE   19 - HA    VAL   18   4.97 +/- 1.15  14.437% * 13.3750% (0.73   1.0  1.00   4.32  22.44) =   2.581%  kept
        T QG1   VAL   41 - HA    VAL   18  11.02 +/- 0.55   0.024% *  0.6520% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    VAL   18   9.31 +/- 0.61   0.063% *  0.0787% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   18   9.41 +/- 0.81   0.045% *  0.0836% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  15.66 +/- 1.05   0.003% *  0.4830% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  12.95 +/- 1.04   0.010% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.2:
    * O T HA    VAL   18 - HB    VAL   18   2.69 +/- 0.32  99.969% * 99.3791% (1.00  10.0 10.00   3.44  77.16) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  11.50 +/- 1.40   0.017% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  15.26 +/- 1.54   0.005% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  16.96 +/- 1.00   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  17.56 +/- 0.77   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  16.69 +/- 1.63   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  18.53 +/- 1.04   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  18.11 +/- 1.34   0.002% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  21.83 +/- 1.41   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  23.69 +/- 1.41   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 = 77.2:
    * O T QG1   VAL   18 - HB    VAL   18   2.13 +/- 0.01  99.901% * 99.5994% (1.00  10.0 10.00   3.44  77.16) = 100.000%  kept
          QD1   LEU   71 - HB    VAL   18   8.92 +/- 1.62   0.044% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL   18   9.12 +/- 1.63   0.034% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB    VAL   18   9.85 +/- 1.52   0.018% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  13.76 +/- 1.70   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  19.07 +/- 1.65   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  16.85 +/- 1.60   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 = 3.23, residual support = 77.2:
    * O T QG2   VAL   18 - HB    VAL   18   2.11 +/- 0.02  99.761% * 98.4101% (1.00  10.0 10.00   3.23  77.16) = 100.000%  kept
          QD1   ILE   19 - HB    VAL   18   6.75 +/- 0.99   0.193% *  0.0715% (0.73   1.0  1.00   0.02  22.44) =   0.000%
          QG2   THR   46 - HB    VAL   18   8.32 +/- 0.92   0.033% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  12.67 +/- 1.06   0.003% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    VAL   18  10.20 +/- 0.98   0.010% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  16.78 +/- 1.58   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  14.67 +/- 1.30   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 = 77.2:
    * O T HA    VAL   18 - QG1   VAL   18   2.60 +/- 0.22  99.921% * 97.2871% (1.00  10.0 10.00   4.00  77.16) = 100.000%  kept
        T HA    VAL   70 - QG1   VAL   18   9.88 +/- 0.91   0.035% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  11.65 +/- 1.18   0.017% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  16.50 +/- 1.42   0.002% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.40 +/- 0.69   0.006% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  13.51 +/- 0.82   0.006% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  14.26 +/- 1.31   0.004% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  14.49 +/- 0.82   0.004% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  14.30 +/- 1.14   0.005% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  18.22 +/- 1.18   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 = 77.2:
    * O T HB    VAL   18 - QG1   VAL   18   2.13 +/- 0.01  99.847% * 99.6862% (1.00  10.0 10.00   3.44  77.16) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   8.28 +/- 1.36   0.138% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  13.22 +/- 1.74   0.003% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  11.53 +/- 1.27   0.005% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  11.99 +/- 1.24   0.004% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  13.72 +/- 1.32   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 77.2:
    * O T QG2   VAL   18 - QG1   VAL   18   2.05 +/- 0.06  99.061% * 98.4101% (1.00  10.0 10.00   4.00  77.16) =  99.999%  kept
          QD1   ILE   19 - QG1   VAL   18   5.11 +/- 0.58   0.629% *  0.0715% (0.73   1.0  1.00   0.02  22.44) =   0.000%
          QG2   THR   46 - QG1   VAL   18   5.91 +/- 0.84   0.239% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG1   VAL   18   9.99 +/- 0.70   0.008% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QG1   VAL   18   7.40 +/- 0.79   0.057% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  13.77 +/- 1.13   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  10.96 +/- 1.00   0.005% *  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 = 77.2:
    * O T HA    VAL   18 - QG2   VAL   18   2.60 +/- 0.52  97.911% * 97.9277% (1.00  10.0 10.00   4.00  77.16) =  99.999%  kept
          HA    VAL   70 - QG1   VAL   41   6.59 +/- 0.37   0.674% *  0.0514% (0.52   1.0  1.00   0.02   2.71) =   0.000%
          HA    GLN   32 - QG1   VAL   41   6.32 +/- 0.68   0.808% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QG1   VAL   41  11.02 +/- 0.55   0.033% *  0.7484% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   41   7.53 +/- 0.49   0.281% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   9.16 +/- 0.58   0.082% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   9.54 +/- 0.55   0.054% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  12.57 +/- 0.91   0.013% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104   9.52 +/- 1.00   0.077% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  15.66 +/- 1.05   0.004% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  13.35 +/- 1.12   0.008% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  14.39 +/- 0.81   0.005% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  14.89 +/- 0.79   0.005% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  16.44 +/- 1.60   0.003% *  0.0514% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  18.03 +/- 2.84   0.002% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  15.64 +/- 0.94   0.003% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  18.29 +/- 1.36   0.001% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  14.77 +/- 1.20   0.004% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  13.85 +/- 1.49   0.009% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.59 +/- 1.15   0.005% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.38 +/- 1.32   0.008% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  18.91 +/- 2.13   0.001% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  19.60 +/- 1.45   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  20.41 +/- 0.37   0.001% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  16.64 +/- 1.25   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  21.19 +/- 0.98   0.001% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  23.01 +/- 2.57   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  21.15 +/- 2.17   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  23.80 +/- 0.92   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  22.49 +/- 1.26   0.000% *  0.0042% (0.04   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 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 77.2:
    * O T HB    VAL   18 - QG2   VAL   18   2.11 +/- 0.02  99.195% * 98.5012% (1.00  10.0 10.00   3.23  77.16) = 100.000%  kept
          HB2   LEU   40 - QG1   VAL   41   5.19 +/- 0.30   0.477% *  0.0257% (0.26   1.0  1.00   0.02  19.67) =   0.000%
          HB2   LEU   67 - QG2   VAL   18   7.08 +/- 0.82   0.093% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  12.67 +/- 1.06   0.003% *  0.7528% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   6.57 +/- 1.11   0.202% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41  10.76 +/- 1.11   0.007% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  10.57 +/- 1.09   0.008% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  13.33 +/- 1.54   0.002% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  11.85 +/- 0.59   0.003% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  13.25 +/- 1.46   0.002% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  16.78 +/- 1.58   0.001% *  0.1514% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  12.45 +/- 2.31   0.005% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  16.78 +/- 1.74   0.000% *  0.0396% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  15.02 +/- 1.70   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  21.70 +/- 1.50   0.000% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  19.82 +/- 0.68   0.000% *  0.0366% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  20.17 +/- 1.26   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  23.01 +/- 1.43   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 = 0.983, support = 4.03, residual support = 79.8:
    * O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.06  77.231% * 90.9635% (1.00  10.0 10.00   4.00  77.16) =  98.132%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.67 +/- 0.33  19.623% *  6.8036% (0.07  10.0 10.00   5.36 217.72) =   1.865%  kept
          QD1   LEU   71 - QG1   VAL   41   4.53 +/- 1.15   2.808% *  0.0581% (0.64   1.0  1.00   0.02   4.34) =   0.002%
        T HB3   LEU  104 - QG1   VAL   41   8.35 +/- 0.67   0.019% *  0.3384% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.71 +/- 0.48   0.069% *  0.0681% (0.75   1.0  1.00   0.02   2.71) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.99 +/- 0.70   0.006% *  0.6952% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.18 +/- 1.09   0.068% *  0.0625% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.50 +/- 1.10   0.049% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.06 +/- 0.94   0.036% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.53 +/- 0.99   0.057% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.06 +/- 1.39   0.004% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.68 +/- 1.11   0.000% *  0.4428% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.25 +/- 1.01   0.003% *  0.0478% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.77 +/- 1.13   0.001% *  0.1398% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.71 +/- 1.57   0.002% *  0.0581% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104   9.95 +/- 1.23   0.009% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  10.37 +/- 1.11   0.006% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.75 +/- 1.35   0.003% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  13.72 +/- 1.21   0.001% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  12.99 +/- 0.64   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.01 +/- 0.61   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 175.1:
    * O T HB    ILE   19 - HA    ILE   19   2.97 +/- 0.06  97.462% * 98.7896% (1.00  10.0 10.00   5.75 175.14) =  99.998%  kept
          HB2   GLN   17 - HA    ILE   19   5.62 +/- 0.40   2.333% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ILE   19   8.60 +/- 0.43   0.177% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.21 +/- 0.60   0.009% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  15.50 +/- 1.17   0.006% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  14.90 +/- 2.08   0.010% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  18.45 +/- 1.53   0.002% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  21.75 +/- 0.89   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  20.97 +/- 1.49   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  25.80 +/- 1.32   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 = 6.31, residual support = 175.1:
    * O T HG12  ILE   19 - HA    ILE   19   3.30 +/- 0.56  94.411% * 98.1529% (1.00  10.0 10.00   6.31 175.14) =  99.991%  kept
        T HG    LEU   73 - HA    ILE   19   7.03 +/- 0.56   1.688% *  0.3348% (0.34   1.0 10.00   0.02   4.00) =   0.006%
          HB3   LYS+  74 - HA    ILE   19   6.02 +/- 0.60   3.509% *  0.0556% (0.57   1.0  1.00   0.02   8.39) =   0.002%
        T HG    LEU   80 - HA    ILE   19  14.58 +/- 2.42   0.023% *  0.9621% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    ILE   19   9.61 +/- 1.51   0.241% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  12.38 +/- 1.57   0.068% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  14.66 +/- 2.23   0.019% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  14.68 +/- 1.04   0.017% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  14.70 +/- 0.75   0.017% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  18.91 +/- 2.01   0.004% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  22.78 +/- 1.53   0.001% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  23.26 +/- 1.24   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 0.11 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 175.1:
    * O T HG13  ILE   19 - HA    ILE   19   2.55 +/- 0.49  99.556% * 98.2804% (1.00  10.0 10.00   5.75 175.14) =  99.998%  kept
        T HG    LEU   71 - HA    ILE   19   8.81 +/- 1.42   0.194% *  0.8814% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HA    ILE   19   8.10 +/- 0.68   0.155% *  0.0907% (0.92   1.0  1.00   0.02   8.39) =   0.000%
          QG2   THR   39 - HA    ILE   19  10.18 +/- 0.88   0.045% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  14.37 +/- 1.66   0.008% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19  10.49 +/- 0.56   0.038% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  17.67 +/- 0.69   0.002% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  18.92 +/- 1.30   0.001% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  19.46 +/- 1.22   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  21.11 +/- 1.94   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  26.05 +/- 1.59   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 0.02 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 4.93, residual support = 173.0:
    *   T QD1   ILE   19 - HA    ILE   19   3.10 +/- 0.31  92.340% * 84.6197% (1.00 10.00   4.93 175.14) =  98.580%  kept
          QG2   VAL   18 - HA    ILE   19   5.08 +/- 0.51   7.430% * 15.1439% (0.73  1.00   4.93  22.44) =   1.420%  kept
          QG2   THR   46 - HA    ILE   19  10.12 +/- 0.90   0.093% *  0.0707% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ILE   19  10.03 +/- 0.65   0.090% *  0.0412% (0.49  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19  11.91 +/- 0.59   0.033% *  0.0261% (0.31  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  17.78 +/- 1.00   0.003% *  0.0817% (0.97  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.40 +/- 1.19   0.011% *  0.0167% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.25 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 175.1:
    * O T HA    ILE   19 - HB    ILE   19   2.97 +/- 0.06  99.857% * 98.6066% (1.00  10.0 10.00   5.75 175.14) = 100.000%  kept
        T HA    GLU-  25 - HB    ILE   19  12.90 +/- 0.61   0.016% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB    ILE   19   9.25 +/- 0.61   0.124% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  20.43 +/- 1.72   0.001% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  18.10 +/- 1.06   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 = 0.995, support = 5.27, residual support = 173.8:
    * O T HG12  ILE   19 - HB    ILE   19   2.39 +/- 0.24  95.025% * 84.0126% (1.00  10.0 10.00   5.30 175.14) =  99.210%  kept
        T HG    LEU   73 - HB    ILE   19   4.29 +/- 0.61   4.491% * 14.1439% (0.34   1.0 10.00   0.99   4.00) =   0.789%  kept
          HB3   LYS+  74 - HB    ILE   19   6.25 +/- 0.66   0.409% *  0.0476% (0.57   1.0  1.00   0.02   8.39) =   0.000%
        T HB3   LEU   67 - HB    ILE   19  11.55 +/- 1.19   0.010% *  0.6101% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HB    ILE   19  13.53 +/- 2.66   0.004% *  0.8235% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    ILE   19  10.24 +/- 1.37   0.047% *  0.0729% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  13.76 +/- 2.32   0.004% *  0.0642% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  12.18 +/- 0.76   0.006% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  14.52 +/- 0.99   0.003% *  0.0442% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  18.21 +/- 1.66   0.001% *  0.0833% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  20.96 +/- 1.58   0.000% *  0.0510% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  20.49 +/- 1.25   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 = 5.0, residual support = 175.1:
    * O T HG13  ILE   19 - HB    ILE   19   2.78 +/- 0.25  97.655% * 97.6364% (1.00  10.0 10.00   5.00 175.14) =  99.981%  kept
        T HG    LEU   71 - HB    ILE   19   6.49 +/- 1.38   1.743% *  0.8756% (0.90   1.0 10.00   0.02   0.02) =   0.016%
        T HG2   LYS+  74 - HB    ILE   19   7.99 +/- 0.70   0.254% *  0.9013% (0.92   1.0 10.00   0.02   8.39) =   0.002%
          QG2   THR   39 - HB    ILE   19   8.57 +/- 0.88   0.158% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   19   8.25 +/- 0.49   0.172% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  14.02 +/- 1.70   0.009% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  16.44 +/- 1.26   0.003% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  17.03 +/- 0.48   0.002% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  17.13 +/- 1.16   0.002% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  25.02 +/- 1.44   0.000% *  0.1932% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  19.73 +/- 1.91   0.001% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 175.1:
    * O T QD1   ILE   19 - HB    ILE   19   2.80 +/- 0.29  97.639% * 99.6493% (1.00  10.0 10.00   4.19 175.14) =  99.998%  kept
          QG2   VAL   18 - HB    ILE   19   5.65 +/- 0.45   1.938% *  0.0724% (0.73   1.0  1.00   0.02  22.44) =   0.001%
          QG1   VAL   43 - HB    ILE   19   7.90 +/- 0.67   0.264% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    ILE   19   9.99 +/- 0.71   0.060% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    ILE   19   9.56 +/- 0.60   0.072% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  12.10 +/- 1.21   0.022% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  15.67 +/- 1.07   0.004% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.17 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 175.1:
    * O T HA    ILE   19 - HG12  ILE   19   3.30 +/- 0.56  95.890% * 98.8520% (1.00  10.0 10.00   6.31 175.14) =  99.994%  kept
        T HA    ILE   19 - HG    LEU   73   7.03 +/- 0.56   1.695% *  0.3228% (0.33   1.0 10.00   0.02   4.00) =   0.006%
          HA    GLU-  25 - HG    LEU   80   9.26 +/- 2.77   0.443% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   80   7.61 +/- 0.69   0.971% *  0.0152% (0.15   1.0  1.00   0.02   0.19) =   0.000%
        T HA    ILE   19 - HG    LEU   80  14.58 +/- 2.42   0.023% *  0.4055% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   73   9.36 +/- 1.32   0.514% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19  10.08 +/- 0.73   0.163% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  11.82 +/- 1.29   0.090% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  14.05 +/- 0.57   0.022% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  10.84 +/- 2.89   0.163% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  17.16 +/- 2.02   0.009% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  19.58 +/- 1.39   0.004% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  17.19 +/- 1.05   0.007% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  18.72 +/- 1.86   0.004% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  22.22 +/- 1.73   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 175.1:
    * O T HB    ILE   19 - HG12  ILE   19   2.39 +/- 0.24  94.781% * 98.3572% (1.00  10.0 10.00   5.30 175.14) =  99.984%  kept
        T HB    ILE   19 - HG    LEU   73   4.29 +/- 0.61   4.478% *  0.3212% (0.33   1.0 10.00   0.02   4.00) =   0.015%
          HB2   GLN   17 - HG12  ILE   19   6.77 +/- 0.86   0.450% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE   19   7.20 +/- 0.79   0.193% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  13.53 +/- 2.66   0.004% *  0.4034% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80   9.83 +/- 2.68   0.039% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  13.91 +/- 1.32   0.003% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  10.91 +/- 1.04   0.014% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  10.97 +/- 0.83   0.013% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  14.19 +/- 0.75   0.003% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  13.45 +/- 1.92   0.007% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.79 +/- 1.45   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  14.94 +/- 1.16   0.002% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  21.49 +/- 1.65   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  19.59 +/- 1.42   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  18.31 +/- 0.72   0.001% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.02 +/- 1.30   0.003% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  19.40 +/- 2.30   0.000% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  21.07 +/- 2.24   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  21.41 +/- 1.99   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  18.40 +/- 1.54   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  19.18 +/- 1.13   0.001% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  20.55 +/- 2.46   0.000% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.89 +/- 1.75   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  22.57 +/- 1.58   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  22.67 +/- 2.14   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  26.30 +/- 2.42   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  23.32 +/- 1.43   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  24.93 +/- 2.79   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  26.45 +/- 2.40   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 = 5.3, residual support = 175.1:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  99.204% * 96.9096% (1.00  10.0 10.00   5.30 175.14) =  99.996%  kept
        T HG    LEU   71 - HG12  ILE   19   6.06 +/- 1.96   0.320% *  0.8691% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   71 - HG    LEU   73   5.70 +/- 1.10   0.272% *  0.2838% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG13  ILE   19 - HG    LEU   73   6.63 +/- 0.73   0.047% *  0.3165% (0.33   1.0 10.00   0.02   4.00) =   0.000%
          QG2   THR   39 - HG12  ILE   19   7.83 +/- 1.18   0.019% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   6.24 +/- 0.78   0.069% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   7.96 +/- 1.05   0.016% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19   9.72 +/- 0.79   0.004% *  0.0895% (0.92   1.0  1.00   0.02   8.39) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.32 +/- 0.71   0.010% *  0.0292% (0.30   1.0  1.00   0.02  40.40) =   0.000%
          QB    ALA   34 - HG12  ILE   19   8.27 +/- 1.05   0.012% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  10.89 +/- 3.02   0.018% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  10.87 +/- 2.18   0.003% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  15.77 +/- 2.68   0.000% *  0.3975% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  11.24 +/- 1.30   0.002% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  17.34 +/- 3.17   0.000% *  0.3565% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  16.36 +/- 1.50   0.000% *  0.0917% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  13.76 +/- 1.47   0.001% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  15.11 +/- 2.01   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  16.57 +/- 1.51   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  13.17 +/- 1.64   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  18.61 +/- 0.69   0.000% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  15.60 +/- 0.63   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  15.11 +/- 2.21   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  15.28 +/- 1.28   0.000% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  14.49 +/- 2.75   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  17.79 +/- 2.63   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  17.14 +/- 1.92   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  21.61 +/- 1.90   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  23.64 +/- 2.76   0.000% *  0.0376% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  25.14 +/- 3.36   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  26.28 +/- 1.88   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  24.51 +/- 2.97   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  22.95 +/- 1.87   0.000% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 175.1:
    * O T QD1   ILE   19 - HG12  ILE   19   2.16 +/- 0.01  97.053% * 98.4260% (1.00  10.0 10.00   4.27 175.14) =  99.998%  kept
        T QD1   ILE   19 - HG    LEU   73   5.38 +/- 0.66   0.556% *  0.3214% (0.33   1.0 10.00   0.02   4.00) =   0.002%
          QG1   VAL   43 - HG    LEU   73   4.71 +/- 0.82   1.721% *  0.0156% (0.16   1.0  1.00   0.02   7.90) =   0.000%
          QG2   VAL   18 - HG12  ILE   19   6.02 +/- 0.65   0.264% *  0.0715% (0.73   1.0  1.00   0.02  22.44) =   0.000%
          QG2   VAL   18 - HG    LEU   73   7.23 +/- 0.83   0.093% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  12.77 +/- 2.44   0.004% *  0.4037% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   73   6.83 +/- 0.96   0.141% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19   9.18 +/- 1.06   0.021% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80   9.17 +/- 2.92   0.049% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80   9.67 +/- 1.74   0.021% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  12.90 +/- 1.63   0.003% *  0.1948% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  11.43 +/- 0.96   0.005% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19   9.87 +/- 1.08   0.013% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73   9.72 +/- 0.48   0.012% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   8.84 +/- 1.27   0.033% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  13.80 +/- 2.80   0.002% *  0.0799% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.92 +/- 1.41   0.003% *  0.0310% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  15.99 +/- 1.31   0.001% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  13.71 +/- 1.96   0.002% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  14.36 +/- 2.75   0.002% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  19.73 +/- 2.49   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 = 5.75, residual support = 175.1:
    * O T HA    ILE   19 - HG13  ILE   19   2.55 +/- 0.49  99.713% * 98.6722% (1.00  10.0 10.00   5.75 175.14) = 100.000%  kept
        T HA    ILE   19 - HG    LEU   71   8.81 +/- 1.42   0.194% *  0.1414% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19  10.50 +/- 0.86   0.054% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  19.69 +/- 1.29   0.001% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  14.59 +/- 0.74   0.007% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  11.73 +/- 1.46   0.024% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  21.43 +/- 1.55   0.001% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  14.85 +/- 1.50   0.006% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  22.73 +/- 1.85   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  23.82 +/- 2.30   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 175.1:
    * O T HB    ILE   19 - HG13  ILE   19   2.78 +/- 0.25  95.121% * 98.7569% (1.00  10.0 10.00   5.00 175.14) =  99.996%  kept
        T HB    ILE   19 - HG    LEU   71   6.49 +/- 1.38   1.685% *  0.1416% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - HG13  ILE   19   5.91 +/- 0.94   2.035% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   7.04 +/- 0.58   0.441% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   71   7.85 +/- 1.62   0.590% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  14.08 +/- 1.38   0.008% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  11.03 +/- 1.78   0.057% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  14.58 +/- 0.84   0.005% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  13.44 +/- 2.13   0.014% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  12.08 +/- 0.94   0.016% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  26.25 +/- 1.51   0.000% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  11.95 +/- 1.45   0.020% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  21.89 +/- 1.26   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  15.77 +/- 1.59   0.004% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  19.42 +/- 1.21   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.33 +/- 1.88   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  25.33 +/- 1.50   0.000% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  20.38 +/- 1.16   0.001% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  20.83 +/- 1.86   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  21.62 +/- 1.15   0.000% *  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 = 5.3, residual support = 175.1:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  99.324% * 97.7565% (1.00  10.0 10.00   5.30 175.14) =  99.999%  kept
        T HG12  ILE   19 - HG    LEU   71   6.06 +/- 1.96   0.320% *  0.1401% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG13  ILE   19   6.63 +/- 0.73   0.047% *  0.3335% (0.34   1.0 10.00   0.02   4.00) =   0.000%
        T HG    LEU   73 - HG    LEU   71   5.70 +/- 1.10   0.273% *  0.0478% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   7.89 +/- 0.64   0.013% *  0.0553% (0.57   1.0  1.00   0.02   8.39) =   0.000%
          QB    ALA   61 - HG13  ILE   19  10.37 +/- 1.26   0.003% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  15.77 +/- 2.68   0.000% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  11.18 +/- 1.86   0.003% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.62 +/- 0.98   0.005% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71   8.89 +/- 1.08   0.007% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  17.34 +/- 3.17   0.000% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  14.23 +/- 1.23   0.000% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  16.03 +/- 2.42   0.000% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  13.66 +/- 1.06   0.001% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  11.92 +/- 1.47   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  12.92 +/- 1.18   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  19.62 +/- 1.88   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  14.05 +/- 1.03   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  22.06 +/- 1.37   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  17.82 +/- 2.63   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  18.44 +/- 1.64   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  16.04 +/- 1.79   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  19.71 +/- 1.42   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  21.92 +/- 1.69   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 175.1:
    * O T QD1   ILE   19 - HG13  ILE   19   2.16 +/- 0.01  97.492% * 99.4572% (1.00  10.0 10.00   4.19 175.14) =  99.998%  kept
        T QD1   ILE   19 - HG    LEU   71   5.32 +/- 1.42   1.472% *  0.1426% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HG13  ILE   19   5.76 +/- 0.60   0.335% *  0.0722% (0.73   1.0  1.00   0.02  22.44) =   0.000%
          QG1   VAL   41 - HG    LEU   71   5.80 +/- 1.19   0.572% *  0.0044% (0.04   1.0  1.00   0.02   4.34) =   0.000%
          QG1   VAL   43 - HG13  ILE   19   9.88 +/- 0.73   0.012% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  11.46 +/- 0.84   0.005% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   8.04 +/- 1.08   0.053% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   8.89 +/- 0.99   0.030% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG13  ILE   19  10.69 +/- 0.77   0.007% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  12.00 +/- 1.42   0.004% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  16.67 +/- 1.12   0.001% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71   9.83 +/- 0.93   0.013% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.69 +/- 1.42   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  13.68 +/- 0.99   0.002% *  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 = 4.93, residual support = 175.1:
    *   T HA    ILE   19 - QD1   ILE   19   3.10 +/- 0.31  99.139% * 99.7561% (1.00 10.00   4.93 175.14) = 100.000%  kept
          HA    THR   26 - QD1   ILE   19   7.58 +/- 1.11   0.793% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QD1   ILE   19  11.09 +/- 0.96   0.061% *  0.0921% (0.92  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  17.31 +/- 1.23   0.004% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  18.61 +/- 1.87   0.003% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 175.1:
    * O T HB    ILE   19 - QD1   ILE   19   2.80 +/- 0.29  97.032% * 99.4654% (1.00  10.0 10.00   4.19 175.14) =  99.998%  kept
          QB    GLU-  15 - QD1   ILE   19   5.98 +/- 0.93   1.451% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   ILE   19   6.18 +/- 1.05   1.430% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD1   ILE   19  11.12 +/- 1.14   0.040% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   ILE   19  12.40 +/- 1.77   0.016% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  11.92 +/- 2.36   0.026% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  18.82 +/- 1.30   0.001% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  17.44 +/- 1.41   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  18.68 +/- 1.84   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  22.65 +/- 1.39   0.000% *  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 = 4.27, residual support = 175.1:
    * O T HG12  ILE   19 - QD1   ILE   19   2.16 +/- 0.01  99.299% * 97.8860% (1.00  10.0 10.00   4.27 175.14) =  99.998%  kept
        T HG    LEU   73 - QD1   ILE   19   5.38 +/- 0.66   0.567% *  0.3339% (0.34   1.0 10.00   0.02   4.00) =   0.002%
          HB3   LYS+  74 - QD1   ILE   19   7.28 +/- 0.58   0.078% *  0.0554% (0.57   1.0  1.00   0.02   8.39) =   0.000%
        T HG    LEU   80 - QD1   ILE   19  12.77 +/- 2.44   0.004% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  11.03 +/- 0.90   0.006% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   ILE   19   9.78 +/- 1.40   0.018% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19  10.07 +/- 1.79   0.020% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  13.10 +/- 2.15   0.003% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  12.82 +/- 1.54   0.003% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  16.98 +/- 1.40   0.000% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  18.86 +/- 1.50   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.75 +/- 1.38   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 = 4.19, residual support = 175.1:
    * O T HG13  ILE   19 - QD1   ILE   19   2.16 +/- 0.01  98.175% * 98.6077% (1.00  10.0 10.00   4.19 175.14) =  99.986%  kept
        T HG    LEU   71 - QD1   ILE   19   5.32 +/- 1.42   1.479% *  0.8843% (0.90   1.0 10.00   0.02   0.02) =   0.014%
          QG2   THR   39 - QD1   ILE   19   6.69 +/- 1.09   0.186% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD1   ILE   19   6.84 +/- 0.72   0.127% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   8.81 +/- 0.83   0.026% *  0.0910% (0.92   1.0  1.00   0.02   8.39) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.03 +/- 1.46   0.002% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  13.71 +/- 1.02   0.002% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  13.48 +/- 1.60   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  15.99 +/- 0.58   0.001% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  18.57 +/- 1.90   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.91 +/- 1.45   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 = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.13 +/- 0.01  99.997% * 99.6998% (1.00  10.0 10.00   2.31  15.22) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  14.13 +/- 0.74   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.38 +/- 0.67   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  18.60 +/- 1.57   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  24.09 +/- 1.30   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.72 +/- 0.64   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  22.89 +/- 2.53   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 = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.13 +/- 0.01  99.992% * 99.9427% (1.00  10.0 10.00   2.31  15.22) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20  10.36 +/- 0.47   0.008% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  20.09 +/- 0.71   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 = 2.76, residual support = 28.9:
    * O T HB2   CYS   21 - HA    CYS   21   2.79 +/- 0.29  99.988% * 99.9059% (1.00  10.0 10.00   2.76  28.89) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  13.05 +/- 0.56   0.012% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  25.00 +/- 0.71   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 = 2.49, residual support = 28.9:
    * O T HB3   CYS   21 - HA    CYS   21   2.47 +/- 0.15  99.998% * 99.9348% (0.69  10.0 10.00   2.49  28.89) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  15.97 +/- 1.20   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 = 2.44, 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   2.44  28.89) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  13.45 +/- 1.27   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 = 2.44, 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   2.44  28.89) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  11.79 +/- 0.71   0.001% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  24.00 +/- 0.75   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 = 34.5:
    * O T HB2   HIS   22 - HA    HIS   22   2.79 +/- 0.29  99.999% * 99.8331% (0.76  10.0 10.00   2.32  34.50) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  20.02 +/- 1.15   0.001% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  23.26 +/- 2.73   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 = 34.5:
    * O T HB3   HIS   22 - HA    HIS   22   2.69 +/- 0.28  99.999% * 99.9165% (0.95  10.0 10.00   3.46  34.50) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  18.65 +/- 2.19   0.001% *  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 = 34.5:
    * O T HA    HIS   22 - HB2   HIS   22   2.79 +/- 0.29  99.988% * 99.7956% (0.76  10.0 10.00   2.32  34.50) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  13.06 +/- 0.99   0.011% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  22.64 +/- 0.86   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 = 34.5:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.9165% (0.80  10.0 10.00   4.26  34.50) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  19.94 +/- 2.38   0.000% *  0.0835% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.5:
    * O T HA    HIS   22 - HB3   HIS   22   2.69 +/- 0.28  99.990% * 99.7956% (0.95  10.0 10.00   3.46  34.50) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  13.29 +/- 1.00   0.009% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  22.99 +/- 0.80   0.000% *  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 = 34.5:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.8331% (0.80  10.0 10.00   4.26  34.50) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  21.94 +/- 1.13   0.000% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  25.28 +/- 2.84   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 = 19.2:
    * O T QG2   THR   23 - HA    THR   23   2.32 +/- 0.21  99.958% * 99.3383% (0.80  10.0 10.00   3.25  19.20) = 100.000%  kept
          QG2   THR   77 - HA    THR   23   9.35 +/- 0.94   0.034% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  13.95 +/- 1.45   0.003% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  13.88 +/- 0.46   0.003% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  16.96 +/- 0.91   0.001% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  16.83 +/- 1.97   0.001% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  24.39 +/- 0.58   0.000% *  0.0445% (0.36   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 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.626, support = 3.25, residual support = 19.2:
    * O T HA    THR   23 - QG2   THR   23   2.32 +/- 0.21  40.573% * 73.9129% (0.80  10.0 10.00   3.25  19.20) =  66.586%  kept
      O   HB    THR   23 - QG2   THR   23   2.16 +/- 0.01  58.638% * 25.6645% (0.28  10.0  1.00   3.25  19.20) =  33.414%  kept
          HA    LEU   80 - QG2   THR   23   6.13 +/- 2.21   0.588% *  0.0379% (0.41   1.0  1.00   0.02   4.10) =   0.000%
          HA    ASP-  78 - QB    ALA   91   7.59 +/- 2.72   0.185% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   23   9.72 +/- 1.34   0.010% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  13.95 +/- 1.45   0.001% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  16.96 +/- 0.91   0.000% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  11.12 +/- 1.41   0.004% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  16.95 +/- 0.87   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  15.90 +/- 1.42   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.24 +/- 0.73   0.000% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  19.88 +/- 1.88   0.000% *  0.0084% (0.09   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 = 65.2:
    * O T QG1   VAL   24 - HA    VAL   24   2.68 +/- 0.58  99.940% * 99.7332% (1.00  10.0 10.00   3.42  65.16) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24  10.04 +/- 0.47   0.056% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  17.42 +/- 1.43   0.003% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  23.16 +/- 2.46   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  27.21 +/- 2.43   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 0.16 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 65.2:
    * O T HA    VAL   24 - QG1   VAL   24   2.68 +/- 0.58  99.996% * 99.8757% (1.00  10.0 10.00   3.42  65.16) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  17.04 +/- 1.25   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  17.63 +/- 1.82   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  20.93 +/- 1.74   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 0.03 A, kept.
 
    Peak 139 (1.10, 1.10, 23.10 ppm):
    1 diagonal assignment:
    *     QG1   VAL   24 - QG1   VAL   24  (1.00)  kept
 
    Peak 140 (4.18, 4.18, 61.45 ppm):
    2 diagonal assignments:
    *     HA    GLU-  25 - HA    GLU-  25  (1.00)  kept
          HA    SER   82 - HA    SER   82  (0.20)  kept
 
    Peak 141 (2.20, 4.18, 61.45 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 125.3:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.97 +/- 0.06  99.973% * 99.2829% (1.00  10.0 10.00   5.10 125.28) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  14.36 +/- 3.16   0.013% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  15.55 +/- 1.33   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  18.78 +/- 1.40   0.002% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  20.94 +/- 0.76   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  17.66 +/- 2.47   0.003% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.66 +/- 0.41   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  19.95 +/- 1.55   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  24.50 +/- 1.55   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  27.01 +/- 1.73   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  30.84 +/- 3.12   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  28.75 +/- 3.22   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 = 125.3:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.75 +/- 0.10  99.877% * 98.0202% (1.00  10.0 10.00   4.97 125.28) = 100.000%  kept
        T HB    ILE   19 - HA    GLU-  25  12.90 +/- 0.61   0.010% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  14.57 +/- 3.23   0.008% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  25   8.92 +/- 0.64   0.100% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  20.43 +/- 1.72   0.001% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  18.46 +/- 0.73   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  19.82 +/- 0.42   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.76 +/- 1.06   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  26.15 +/- 1.01   0.000% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  26.09 +/- 1.30   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  19.46 +/- 3.04   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  23.17 +/- 1.36   0.000% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  30.65 +/- 1.86   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  26.11 +/- 1.28   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  26.43 +/- 1.90   0.000% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  26.68 +/- 1.69   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  32.38 +/- 1.55   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  32.70 +/- 1.54   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 = 125.3:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.26 +/- 0.32  99.979% * 99.4877% (1.00  10.0 10.00   4.00 125.28) = 100.000%  kept
        T HG2   GLU-  25 - HA    SER   82  14.29 +/- 3.43   0.003% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    SER   82  10.17 +/- 0.38   0.016% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  17.34 +/- 1.88   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.14 +/- 0.99   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  20.51 +/- 1.71   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  32.09 +/- 2.13   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  30.79 +/- 2.02   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  31.21 +/- 1.86   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  30.23 +/- 1.72   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 = 125.3:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.36 +/- 0.24  99.721% * 99.2510% (1.00  10.0 10.00   3.43 125.28) = 100.000%  kept
        T HG3   GLU-  25 - HA    SER   82  14.80 +/- 3.36   0.024% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  25  11.97 +/- 1.29   0.068% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82  10.14 +/- 0.59   0.153% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  16.05 +/- 1.23   0.010% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  15.91 +/- 2.80   0.016% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  18.90 +/- 1.97   0.004% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  25.99 +/- 1.68   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  23.69 +/- 1.63   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  24.89 +/- 1.65   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  22.53 +/- 2.06   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  27.99 +/- 1.45   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  28.30 +/- 3.30   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  27.74 +/- 1.55   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 0.25 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 125.3:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.97 +/- 0.06  99.976% * 99.2383% (1.00  10.0 10.00   5.10 125.28) = 100.000%  kept
        T HA    SER   82 - HB2   GLU-  25  14.36 +/- 3.16   0.013% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   GLU-  25  13.79 +/- 0.51   0.010% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  24.36 +/- 1.81   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 = 5.13, residual support = 125.3:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.993% * 97.2368% (1.00  10.0 10.00   5.13 125.28) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   9.13 +/- 0.79   0.006% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  18.32 +/- 0.75   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  19.14 +/- 0.57   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  12.80 +/- 0.65   0.001% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  26.59 +/- 1.50   0.000% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.96 +/- 1.13   0.000% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  26.81 +/- 0.93   0.000% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  31.78 +/- 1.95   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 = 4.44, residual support = 125.3:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.85 +/- 0.24  99.997% * 99.8559% (1.00  10.0 10.00   4.44 125.28) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  18.73 +/- 1.82   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  21.32 +/- 1.12   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  32.93 +/- 2.14   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  31.65 +/- 2.01   0.000% *  0.0278% (0.28   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 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 125.3:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.67 +/- 0.16  99.968% * 99.6757% (1.00  10.0 10.00   3.87 125.28) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25  11.07 +/- 1.52   0.030% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.13 +/- 1.38   0.002% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  26.27 +/- 1.90   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  24.36 +/- 1.82   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  26.05 +/- 1.67   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  28.04 +/- 1.64   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 0.01 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 125.3:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.75 +/- 0.10  99.986% * 98.4268% (1.00  10.0 10.00   4.97 125.28) = 100.000%  kept
        T HA    SER   82 - HB3   GLU-  25  14.57 +/- 3.23   0.008% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HB3   GLU-  25  14.21 +/- 0.60   0.005% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  24.77 +/- 1.66   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 = 5.13, residual support = 125.3:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.0062% (1.00  10.0 10.00   5.13 125.28) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  18.56 +/- 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  22.01 +/- 0.81   0.000% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  17.40 +/- 1.37   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.02 +/- 0.95   0.000% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  21.70 +/- 1.52   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 = 125.3:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.82 +/- 0.15  99.998% * 99.8559% (1.00  10.0 10.00   4.44 125.28) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  18.89 +/- 1.83   0.001% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  21.55 +/- 1.16   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  33.18 +/- 2.12   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  31.89 +/- 1.98   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 = 125.3:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.38 +/- 0.14  99.983% * 99.2075% (1.00  10.0 10.00   3.87 125.28) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25  11.59 +/- 1.92   0.016% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  16.88 +/- 1.84   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  26.22 +/- 1.70   0.000% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  26.68 +/- 1.71   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  24.66 +/- 2.20   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  28.47 +/- 1.52   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 0.04 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 125.3:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.26 +/- 0.32  99.995% * 99.2383% (1.00  10.0 10.00   4.00 125.28) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  14.29 +/- 3.43   0.003% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  15.94 +/- 0.48   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  25.78 +/- 1.69   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 = 4.44, residual support = 125.3:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.85 +/- 0.24  99.995% * 99.7000% (1.00  10.0 10.00   4.44 125.28) = 100.000%  kept
          HB2   MET   96 - HG2   GLU-  25  17.61 +/- 1.44   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   GLU-  25  20.10 +/- 1.32   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  22.94 +/- 0.86   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.19 +/- 0.65   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  21.63 +/- 1.72   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 = 125.3:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.82 +/- 0.15  99.940% * 99.4104% (1.00  10.0 10.00   4.44 125.28) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  10.51 +/- 0.92   0.052% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  14.63 +/- 0.65   0.006% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  19.77 +/- 0.86   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.31 +/- 0.51   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  27.51 +/- 1.12   0.000% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  28.07 +/- 1.06   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  27.96 +/- 1.44   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  32.54 +/- 1.95   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 = 125.3:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.999% * 99.6757% (1.00  10.0 10.00   3.31 125.28) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  12.81 +/- 1.39   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  17.11 +/- 1.24   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  27.46 +/- 1.90   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  25.18 +/- 1.64   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  26.64 +/- 1.71   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  29.82 +/- 1.57   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 = 125.3:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.36 +/- 0.24  99.967% * 98.4268% (1.00  10.0 10.00   3.43 125.28) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  14.80 +/- 3.36   0.024% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.19 +/- 0.49   0.008% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  26.41 +/- 1.64   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 0.18 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 125.3:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.67 +/- 0.16  99.998% * 99.7000% (1.00  10.0 10.00   3.87 125.28) = 100.000%  kept
          QG    GLN   17 - HG3   GLU-  25  20.29 +/- 1.39   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  18.77 +/- 1.29   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  23.77 +/- 0.71   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.06 +/- 0.74   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  22.70 +/- 1.56   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 0.17 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 125.3:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.38 +/- 0.14  99.984% * 98.6730% (1.00  10.0 10.00   3.87 125.28) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  11.04 +/- 0.82   0.013% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  15.09 +/- 0.61   0.002% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  28.46 +/- 1.15   0.000% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  20.04 +/- 0.85   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.52 +/- 0.53   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  28.77 +/- 0.96   0.000% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  28.59 +/- 1.46   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  33.54 +/- 1.93   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 = 125.3:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.8559% (1.00  10.0 10.00   3.31 125.28) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  19.67 +/- 1.87   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  23.18 +/- 1.06   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  34.99 +/- 2.06   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  33.70 +/- 1.94   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 = 3.1, residual support = 34.7:
    * O T HB    THR   26 - HA    THR   26   2.87 +/- 0.07 100.000% * 99.8279% (1.00  10.0 10.00   3.10  34.67) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  23.41 +/- 1.00   0.000% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  29.98 +/- 0.87   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 0.47 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.1, residual support = 34.7:
    * O T QG2   THR   26 - HA    THR   26   2.94 +/- 0.16  99.976% * 99.3101% (1.00  10.0 10.00   3.10  34.67) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  12.46 +/- 0.52   0.019% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  17.51 +/- 0.59   0.002% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  21.07 +/- 1.47   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  23.03 +/- 1.04   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  26.98 +/- 1.72   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  21.49 +/- 1.22   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  25.84 +/- 1.07   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  25.19 +/- 1.08   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  26.48 +/- 1.92   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 0.02 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.1, residual support = 34.7:
    * O T HA    THR   26 - HB    THR   26   2.87 +/- 0.07  99.725% * 99.6617% (1.00  10.0 10.00   3.10  34.67) = 100.000%  kept
          HA    ASN   28 - HB    THR   26   8.13 +/- 0.14   0.200% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB    THR   26   9.83 +/- 0.48   0.066% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB    THR   26  14.59 +/- 0.50   0.006% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB    THR   26  20.01 +/- 3.33   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  22.03 +/- 1.38   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  25.16 +/- 1.13   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  29.25 +/- 0.93   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 0.44 A, kept.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.7:
    * O T QG2   THR   26 - HB    THR   26   2.17 +/- 0.01  99.993% * 99.4369% (1.00  10.0 10.00   3.00  34.67) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26  11.07 +/- 0.87   0.006% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  20.51 +/- 1.62   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  18.76 +/- 0.82   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  25.38 +/- 1.17   0.000% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  22.97 +/- 1.18   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  27.43 +/- 1.88   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  22.79 +/- 1.39   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  26.41 +/- 1.17   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  25.86 +/- 1.92   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 = 3.1, residual support = 34.7:
    * O T HA    THR   26 - QG2   THR   26   2.94 +/- 0.16  97.929% * 98.6211% (1.00  10.0 10.00   3.10  34.67) =  99.999%  kept
          HA    ASN   28 - QG2   THR   26   6.40 +/- 0.10   0.962% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - QG2   THR   26   6.38 +/- 0.40   1.054% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   THR   26  10.73 +/- 0.48   0.043% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  15.68 +/- 2.76   0.008% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  19.44 +/- 0.94   0.001% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  22.89 +/- 0.76   0.000% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  17.20 +/- 1.12   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.16 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.7:
    * O T HB    THR   26 - QG2   THR   26   2.17 +/- 0.01  99.999% * 99.1149% (1.00  10.0 10.00   3.00  34.67) = 100.000%  kept
        T HA    SER  117 - QG2   THR   26  23.37 +/- 0.90   0.000% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QG2   THR   26  17.17 +/- 0.99   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 = 4.74, residual support = 106.6:
    * O T HB2   TRP   27 - HA    TRP   27   2.97 +/- 0.04  99.972% * 99.8554% (1.00  10.0 10.00   4.74 106.57) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  12.07 +/- 0.96   0.026% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  19.55 +/- 0.74   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 = 4.76, residual support = 106.6:
    * O T HB3   TRP   27 - HA    TRP   27   2.30 +/- 0.05  99.995% * 99.7166% (1.00  10.0 10.00   4.76 106.57) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  15.82 +/- 0.91   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  14.77 +/- 1.10   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  17.01 +/- 1.66   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  15.82 +/- 0.92   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  17.33 +/- 0.44   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 106.6:
    * O T HA    TRP   27 - HB2   TRP   27   2.97 +/- 0.04  99.994% * 99.7755% (1.00  10.0 10.00   4.74 106.57) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  16.86 +/- 1.74   0.004% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  19.81 +/- 1.15   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  22.97 +/- 1.24   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 = 106.6:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 99.7166% (1.00  10.0 10.00   4.97 106.57) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  16.68 +/- 1.35   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  16.87 +/- 1.96   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  15.75 +/- 1.47   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  17.44 +/- 1.09   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  19.02 +/- 0.51   0.000% *  0.0222% (0.22   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 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 106.6:
    * O T HA    TRP   27 - HB3   TRP   27   2.30 +/- 0.05  99.998% * 99.7755% (1.00  10.0 10.00   4.76 106.57) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  16.35 +/- 1.83   0.001% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  18.97 +/- 1.09   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  21.86 +/- 1.15   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 = 106.6:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.996% * 99.8554% (1.00  10.0 10.00   4.97 106.57) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27   9.96 +/- 0.89   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  18.02 +/- 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 = 4.36, residual support = 105.8:
    * O T HB2   ASN   28 - HA    ASN   28   3.04 +/- 0.01  99.681% * 99.2152% (1.00  10.0 10.00   4.36 105.79) =  99.999%  kept
        T HB2   ASN   35 - HA    ASN   28   9.54 +/- 0.81   0.120% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   28   9.57 +/- 1.26   0.150% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   28  13.17 +/- 3.96   0.034% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  14.05 +/- 1.15   0.012% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  18.15 +/- 1.12   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  21.21 +/- 1.25   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 = 105.8:
    * O T HB3   ASN   28 - HA    ASN   28   2.48 +/- 0.12  99.724% * 99.8456% (1.00  10.0 10.00   4.20 105.79) = 100.000%  kept
          HG2   GLN   30 - HA    ASN   28   6.65 +/- 0.32   0.275% *  0.0922% (0.92   1.0  1.00   0.02   8.21) =   0.000%
          QE    LYS+ 121 - HA    ASN   28  20.75 +/- 1.82   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  20.93 +/- 2.27   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 = 4.36, residual support = 105.8:
    * O T HA    ASN   28 - HB2   ASN   28   3.04 +/- 0.01  93.576% * 99.0365% (1.00  10.0 10.00   4.36 105.79) =  99.998%  kept
          HA    THR   26 - HB2   ASN   28   5.27 +/- 0.27   3.644% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HB2   ASN   35   5.83 +/- 0.41   2.052% *  0.0291% (0.29   1.0  1.00   0.02  18.74) =   0.001%
        T HA    ASN   28 - HB2   ASN   35   9.54 +/- 0.81   0.112% *  0.3081% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   35   8.15 +/- 1.85   0.556% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  12.27 +/- 0.38   0.022% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  14.96 +/- 3.27   0.015% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  13.15 +/- 0.60   0.015% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  16.12 +/- 2.26   0.005% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  25.04 +/- 1.52   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  25.64 +/- 1.47   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  24.76 +/- 1.98   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  28.42 +/- 1.19   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  23.94 +/- 2.72   0.001% *  0.0162% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  30.02 +/- 2.32   0.000% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  27.44 +/- 1.64   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  29.87 +/- 1.71   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  24.97 +/- 2.03   0.000% *  0.0054% (0.05   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 = 5.3, residual support = 105.8:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.976% * 99.4888% (1.00  10.0 10.00   5.30 105.79) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.33 +/- 0.30   0.019% *  0.0918% (0.92   1.0  1.00   0.02   8.21) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35   9.96 +/- 0.72   0.003% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  11.64 +/- 0.99   0.001% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  19.79 +/- 2.53   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  23.34 +/- 1.85   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  19.91 +/- 2.43   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  23.76 +/- 2.19   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 105.8:
    * O T HA    ASN   28 - HB3   ASN   28   2.48 +/- 0.12  99.696% * 99.4977% (1.00  10.0 10.00   4.20 105.79) = 100.000%  kept
          HA    THR   26 - HB3   ASN   28   6.76 +/- 0.30   0.283% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  13.63 +/- 3.33   0.011% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   ASN   28  11.84 +/- 0.28   0.009% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  16.49 +/- 2.35   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  24.54 +/- 1.54   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  25.90 +/- 1.41   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  27.73 +/- 1.16   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  29.39 +/- 2.36   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 = 5.3, residual support = 105.8:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.992% * 99.2152% (1.00  10.0 10.00   5.30 105.79) = 100.000%  kept
        T HB2   ASN   35 - HB3   ASN   28   9.96 +/- 0.72   0.003% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   28  10.36 +/- 1.47   0.004% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  13.64 +/- 3.95   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  15.39 +/- 1.08   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  19.26 +/- 1.15   0.000% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  23.26 +/- 1.29   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 = 4.63, residual support = 93.6:
    * O T HB2   GLU-  29 - HA    GLU-  29   3.01 +/- 0.05  99.133% * 98.3644% (1.00  10.0 10.00   4.63  93.61) =  99.999%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.59 +/- 0.77   0.224% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HA    GLN   32   8.10 +/- 0.26   0.268% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PHE   72 - HA    GLU-  29  15.55 +/- 0.72   0.005% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32   9.98 +/- 1.57   0.129% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  14.38 +/- 0.79   0.009% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  10.36 +/- 1.28   0.081% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  10.78 +/- 1.26   0.062% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  14.88 +/- 1.53   0.009% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  15.50 +/- 1.61   0.007% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  14.53 +/- 1.31   0.009% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  13.17 +/- 1.66   0.022% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  17.47 +/- 1.01   0.003% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  16.47 +/- 0.78   0.004% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  14.05 +/- 1.36   0.011% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  15.64 +/- 0.75   0.005% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  22.83 +/- 0.83   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  16.61 +/- 1.67   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  22.26 +/- 1.84   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  25.10 +/- 1.49   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  17.37 +/- 1.03   0.003% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  26.70 +/- 1.12   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  17.05 +/- 1.15   0.003% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.37 +/- 1.14   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  21.63 +/- 1.01   0.001% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  21.55 +/- 1.29   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  20.81 +/- 1.09   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  23.79 +/- 1.52   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  23.70 +/- 1.61   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  23.99 +/- 2.20   0.000% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  27.57 +/- 1.37   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  29.43 +/- 1.11   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  26.30 +/- 2.03   0.000% *  0.0121% (0.12   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 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.83, support = 5.1, residual support = 92.8:
      O   HB3   GLU-  29 - HA    GLU-  29   2.62 +/- 0.10  35.254% * 44.1583% (0.80  10.0  1.00   5.12  93.61) =  80.695%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.49 +/- 0.12   6.438% * 55.1471% (1.00  10.0 10.00   5.19  93.61) =  18.403%  kept
          QB    GLU-  36 - HA    LYS+  33   2.41 +/- 0.20  57.218% *  0.3041% (0.13   1.0  1.00   0.83   0.02) =   0.902%  kept
          QB    GLU-  36 - HA    GLN   32   5.00 +/- 0.37   0.788% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33   9.74 +/- 0.87   0.015% *  0.1513% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  29   7.84 +/- 0.71   0.057% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   7.35 +/- 0.90   0.097% *  0.0121% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   7.34 +/- 0.31   0.073% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.80 +/- 0.27   0.024% *  0.0124% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   8.80 +/- 0.28   0.025% *  0.0110% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.44 +/- 0.28   0.009% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  14.95 +/- 0.46   0.001% *  0.0400% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  16.04 +/- 1.46   0.001% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  25.79 +/- 1.75   0.000% *  0.0522% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  19.82 +/- 1.73   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  20.86 +/- 1.76   0.000% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  27.80 +/- 2.08   0.000% *  0.0117% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  30.12 +/- 1.89   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 = 4.63, residual support = 93.6:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.25 +/- 0.27  99.793% * 99.0116% (1.00  10.0 10.00   4.63  93.61) = 100.000%  kept
        T HG2   GLU-  29 - HA    GLN   32   7.31 +/- 0.23   0.135% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  29 - HA    LYS+  33   8.70 +/- 0.95   0.065% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  17.33 +/- 3.66   0.001% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.26 +/- 0.62   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  16.27 +/- 1.37   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  19.00 +/- 4.45   0.001% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  14.65 +/- 1.47   0.002% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  22.41 +/- 4.05   0.000% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  17.06 +/- 1.19   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.66 +/- 1.07   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  25.46 +/- 0.92   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.78 +/- 0.67   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  27.76 +/- 2.73   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.34 +/- 0.87   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  24.02 +/- 0.69   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.61 +/- 0.95   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  27.71 +/- 3.02   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  22.73 +/- 0.68   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  24.98 +/- 0.91   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  27.46 +/- 2.76   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 0.02 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.63, residual support = 93.6:
    * O T HA    GLU-  29 - HB2   GLU-  29   3.01 +/- 0.05  99.485% * 98.1508% (1.00  10.0 10.00   4.63  93.61) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.59 +/- 0.77   0.224% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HB2   GLU-  29   8.10 +/- 0.26   0.269% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLU-  29  14.47 +/- 0.76   0.009% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLU-  29  16.08 +/- 3.47   0.007% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  16.52 +/- 0.88   0.004% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  22.44 +/- 0.88   0.001% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  22.63 +/- 2.26   0.001% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  28.38 +/- 1.68   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  26.90 +/- 1.21   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 = 0.842, support = 4.35, residual support = 93.6:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  82.704% * 44.1051% (0.80  10.0  1.00   4.30  93.61) =  79.295%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.28 +/- 0.04  17.292% * 55.0806% (1.00  10.0 10.00   4.56  93.61) =  20.705%  kept
          QB    GLU-  36 - HB2   GLU-  29   9.62 +/- 0.68   0.003% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   GLU-  29  13.98 +/- 1.48   0.000% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  24.83 +/- 1.69   0.000% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.91 +/- 0.51   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 = 93.6:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.89 +/- 0.05  99.991% * 99.6674% (1.00  10.0 10.00   4.00  93.61) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  17.31 +/- 3.23   0.003% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  17.46 +/- 0.54   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  17.19 +/- 1.29   0.003% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  24.83 +/- 1.19   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  27.29 +/- 2.76   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  22.97 +/- 0.75   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.63, residual support = 93.6:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.25 +/- 0.27  99.797% * 98.1508% (1.00  10.0 10.00   4.63  93.61) =  99.999%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.70 +/- 0.95   0.065% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG2   GLU-  29   7.31 +/- 0.23   0.135% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLU-  29  16.78 +/- 0.86   0.001% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLU-  29  16.54 +/- 3.84   0.001% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.81 +/- 0.91   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  24.49 +/- 0.88   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  23.15 +/- 2.41   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  29.92 +/- 1.80   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.64 +/- 1.37   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 = 93.6:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.89 +/- 0.05  99.979% * 99.5124% (1.00  10.0 10.00   4.00  93.61) = 100.000%  kept
          QG    GLU-  14 - HG2   GLU-  29  16.14 +/- 1.82   0.005% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  16.90 +/- 1.58   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  16.93 +/- 0.90   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  17.37 +/- 0.91   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG2   GLU-  29  15.77 +/- 1.49   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  17.62 +/- 0.76   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  22.33 +/- 1.73   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  24.56 +/- 0.83   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  27.32 +/- 1.25   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  26.69 +/- 1.62   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.47 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 4.3, residual support = 93.6:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  95.040% * 55.3193% (1.00  10.0 10.00   4.30  93.61) =  95.993%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.87 +/- 0.08   4.954% * 44.2962% (0.80  10.0 10.00   4.30  93.61) =   4.007%  kept
        T QB    GLU-  36 - HG2   GLU-  29   9.27 +/- 0.88   0.005% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  16.90 +/- 0.62   0.000% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  15.65 +/- 1.41   0.000% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  25.90 +/- 1.76   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 = 0.926, support = 4.78, residual support = 154.1:
      O T HG3   GLN   30 - HA    GLN   30   2.59 +/- 0.59  59.433% * 46.1414% (0.87  10.0 10.00   4.63 154.11) =  55.974%  kept
    * O T HB2   GLN   30 - HA    GLN   30   2.76 +/- 0.13  40.550% * 53.1933% (1.00  10.0 10.00   4.96 154.11) =  44.026%  kept
          HB3   GLU- 100 - HA    GLN   30  14.46 +/- 1.11   0.002% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLN   30  11.11 +/- 0.95   0.010% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  21.18 +/- 1.05   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  13.77 +/- 0.83   0.003% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  18.19 +/- 1.45   0.001% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  22.15 +/- 1.21   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  23.84 +/- 1.69   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  28.82 +/- 1.16   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  26.80 +/- 2.02   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 = 0.991, support = 5.16, residual support = 152.3:
    * O T HB3   GLN   30 - HA    GLN   30   2.95 +/- 0.10  60.811% * 97.6674% (1.00  10.0 10.00   5.20 154.11) =  98.810%  kept
          QB    LYS+  33 - HA    GLN   30   3.33 +/- 0.78  39.165% *  1.8265% (0.25   1.0  1.00   1.50   0.16) =   1.190%  kept
          HB3   LYS+  38 - HA    GLN   30  13.70 +/- 0.57   0.006% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  20.04 +/- 4.20   0.013% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.00 +/- 0.82   0.002% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  18.75 +/- 1.74   0.001% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  23.65 +/- 1.35   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  23.28 +/- 1.54   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  24.09 +/- 1.52   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.56 +/- 1.10   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  25.33 +/- 1.62   0.000% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  25.55 +/- 1.97   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 0.01 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.61, residual support = 154.1:
    * O T HG2   GLN   30 - HA    GLN   30   3.01 +/- 0.48  99.451% * 99.8053% (1.00  10.0 10.00   5.61 154.11) =  99.999%  kept
          HB3   ASN   28 - HA    GLN   30   7.56 +/- 0.12   0.546% *  0.0921% (0.92   1.0  1.00   0.02   8.21) =   0.001%
          QE    LYS+ 121 - HA    GLN   30  21.27 +/- 2.03   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  19.90 +/- 2.03   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.96, residual support = 154.1:
    * O T HA    GLN   30 - HB2   GLN   30   2.76 +/- 0.13  99.790% * 99.6678% (1.00  10.0 10.00   4.96 154.11) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   8.68 +/- 1.24   0.139% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   9.61 +/- 0.77   0.060% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  16.77 +/- 3.48   0.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  15.17 +/- 2.16   0.005% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  20.58 +/- 1.12   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.18 +/- 1.47   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  20.09 +/- 2.21   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.70 +/- 1.15   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 = 4.2, residual support = 154.1:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.738% * 98.9590% (1.00  10.0 10.00   4.20 154.11) = 100.000%  kept
          QB    LYS+  33 - HB2   GLN   30   4.90 +/- 0.53   0.261% *  0.0247% (0.25   1.0  1.00   0.02   0.16) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  15.05 +/- 0.86   0.000% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  14.17 +/- 0.81   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  17.30 +/- 1.55   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  23.12 +/- 1.94   0.000% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  20.73 +/- 1.57   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  21.12 +/- 1.28   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  21.47 +/- 4.05   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  21.85 +/- 1.44   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.62 +/- 1.12   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  23.08 +/- 1.49   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 154.1:
    * O T HG2   GLN   30 - HB2   GLN   30   2.78 +/- 0.28  99.750% * 99.8053% (1.00  10.0 10.00   5.70 154.11) = 100.000%  kept
          HB3   ASN   28 - HB2   GLN   30   7.64 +/- 0.60   0.247% *  0.0921% (0.92   1.0  1.00   0.02   8.21) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  19.67 +/- 1.76   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  18.17 +/- 1.94   0.002% *  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 = 5.2, residual support = 154.1:
    * O T HA    GLN   30 - HB3   GLN   30   2.95 +/- 0.10  99.787% * 99.5115% (1.00  10.0 10.00   5.20 154.11) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30   9.44 +/- 1.23   0.135% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30  10.29 +/- 0.78   0.060% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  15.93 +/- 4.10   0.009% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  15.81 +/- 1.98   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  21.95 +/- 1.13   0.001% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  20.53 +/- 1.23   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.02 +/- 1.55   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  19.65 +/- 2.51   0.002% *  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 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.992, support = 4.24, residual support = 154.1:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  93.429% * 53.1733% (1.00  10.0 10.00   4.20 154.11) =  94.251%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.78 +/- 0.20   6.569% * 46.1240% (0.87  10.0  1.00   4.92 154.11) =   5.749%  kept
          HB3   GLU- 100 - HB3   GLN   30  14.91 +/- 1.48   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  11.99 +/- 0.96   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  24.36 +/- 1.93   0.000% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  13.37 +/- 0.65   0.000% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  19.70 +/- 1.28   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  18.16 +/- 1.45   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  18.58 +/- 1.01   0.000% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  22.16 +/- 1.88   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  26.41 +/- 1.19   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 = 5.79, residual support = 154.1:
    * O T HG2   GLN   30 - HB3   GLN   30   2.56 +/- 0.25  99.720% * 99.8053% (1.00  10.0 10.00   5.79 154.11) = 100.000%  kept
          HB3   ASN   28 - HB3   GLN   30   6.89 +/- 0.50   0.278% *  0.0921% (0.92   1.0  1.00   0.02   8.21) =   0.000%
          QE    LYS+ 121 - HB3   GLN   30  20.01 +/- 1.84   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  18.74 +/- 2.30   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 = 5.61, residual support = 154.1:
    * O T HA    GLN   30 - HG2   GLN   30   3.01 +/- 0.48  99.816% * 99.6678% (1.00  10.0 10.00   5.61 154.11) = 100.000%  kept
          HB    THR   39 - HG2   GLN   30  10.52 +/- 1.10   0.097% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  10.92 +/- 0.84   0.055% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  16.48 +/- 3.49   0.009% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG2   GLN   30  14.62 +/- 1.95   0.018% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  20.95 +/- 1.25   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  25.54 +/- 1.58   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  20.84 +/- 2.19   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.30 +/- 1.34   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 = 0.878, support = 6.01, residual support = 154.1:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  92.692% * 46.1414% (0.87  10.0 10.00   6.04 154.11) =  91.671%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.78 +/- 0.28   7.306% * 53.1933% (1.00  10.0 10.00   5.70 154.11) =   8.329%  kept
        T HB2   PRO   93 - HG2   GLN   30  19.53 +/- 1.14   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  11.35 +/- 0.80   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.38 +/- 0.55   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  16.75 +/- 1.17   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  18.49 +/- 1.82   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  21.45 +/- 1.54   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  23.37 +/- 1.80   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  27.85 +/- 1.23   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  24.57 +/- 1.94   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 = 5.79, residual support = 154.1:
    * O T HB3   GLN   30 - HG2   GLN   30   2.56 +/- 0.25  98.356% * 99.4599% (1.00  10.0 10.00   5.79 154.11) = 100.000%  kept
          QB    LYS+  33 - HG2   GLN   30   5.73 +/- 0.81   1.635% *  0.0248% (0.25   1.0  1.00   0.02   0.16) =   0.000%
          HB3   LYS+  38 - HG2   GLN   30  16.11 +/- 0.77   0.002% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  16.90 +/- 0.86   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  16.80 +/- 1.61   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  21.68 +/- 1.62   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  22.48 +/- 1.80   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  20.59 +/- 3.76   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  22.06 +/- 1.38   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.86 +/- 1.28   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  23.44 +/- 1.65   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  23.23 +/- 1.82   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 = 230.3:
    * O T HB2   LEU   31 - HA    LEU   31   3.02 +/- 0.01  99.568% * 99.2507% (1.00  10.0 10.00   6.00 230.32) = 100.000%  kept
          HG    LEU   98 - HA    LEU   31   8.53 +/- 1.27   0.298% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31  10.64 +/- 0.74   0.057% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  11.40 +/- 0.86   0.038% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  13.50 +/- 1.17   0.015% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  15.31 +/- 3.26   0.009% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  16.06 +/- 0.99   0.005% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  16.20 +/- 2.01   0.005% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  19.48 +/- 2.39   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  19.24 +/- 2.51   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  19.56 +/- 1.11   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.16 +/- 1.77   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 = 230.3:
    * O T HB3   LEU   31 - HA    LEU   31   2.45 +/- 0.07  99.963% * 99.6763% (1.00  10.0 10.00   6.00 230.32) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31  10.18 +/- 1.10   0.026% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  11.96 +/- 0.50   0.008% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  20.06 +/- 1.90   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  15.49 +/- 0.67   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.10 +/- 0.88   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  20.12 +/- 1.54   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  26.78 +/- 2.50   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 = 5.94, residual support = 230.3:
    * O T HG    LEU   31 - HA    LEU   31   3.24 +/- 0.42  68.581% * 99.6594% (0.80  10.0 10.00   5.94 230.32) =  99.981%  kept
          QG1   VAL   41 - HA    LEU   31   3.98 +/- 0.67  27.604% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.013%
          QD2   LEU   73 - HA    LEU   31   5.58 +/- 0.88   3.810% *  0.1149% (0.92   1.0  1.00   0.02   3.33) =   0.006%
          QD1   ILE   56 - HA    LEU   31  17.74 +/- 1.27   0.003% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  19.40 +/- 1.39   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 0.12 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 230.3:
    *   T QD1   LEU   31 - HA    LEU   31   3.66 +/- 0.13 100.000% *100.0000% (1.00 10.00   4.85 230.32) = 100.000%  kept
    Distance limit 3.31 A violated in 0 structures by 0.35 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 230.3:
    *   T QD2   LEU   31 - HA    LEU   31   2.19 +/- 0.47  99.567% * 99.6345% (1.00 10.00   5.74 230.32) =  99.999%  kept
        T QG2   VAL   43 - HA    LEU   31   7.16 +/- 1.33   0.418% *  0.2484% (0.25 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HA    LEU   31  12.22 +/- 3.18   0.013% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  15.59 +/- 2.53   0.003% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 230.3:
    * O T HA    LEU   31 - HB2   LEU   31   3.02 +/- 0.01 100.000% *100.0000% (1.00  10.0 10.00   6.00 230.32) = 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 = 230.3:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.989% * 99.6763% (1.00  10.0 10.00   6.00 230.32) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   8.64 +/- 1.07   0.010% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.85 +/- 0.40   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  21.98 +/- 1.88   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  16.54 +/- 0.82   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.00 +/- 0.84   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  21.79 +/- 1.62   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  28.18 +/- 2.45   0.000% *  0.0564% (0.57   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 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 230.3:
    * O T HG    LEU   31 - HB2   LEU   31   2.61 +/- 0.30  97.714% * 99.6594% (0.80  10.0 10.00   5.97 230.32) =  99.999%  kept
          QG1   VAL   41 - HB2   LEU   31   5.37 +/- 0.67   1.928% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HB2   LEU   31   7.16 +/- 0.68   0.357% *  0.1149% (0.92   1.0  1.00   0.02   3.33) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  18.83 +/- 1.14   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  20.99 +/- 1.51   0.000% *  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 = 230.3:
    * O T QD1   LEU   31 - HB2   LEU   31   2.40 +/- 0.25 100.000% *100.0000% (1.00  10.0 10.00   4.87 230.32) = 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 = 230.3:
    * O T QD2   LEU   31 - HB2   LEU   31   2.93 +/- 0.36  99.103% * 99.6345% (1.00  10.0 10.00   5.76 230.32) =  99.998%  kept
        T QG2   VAL   43 - HB2   LEU   31   7.41 +/- 1.20   0.799% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - HB2   LEU   31  11.09 +/- 3.17   0.087% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  14.96 +/- 2.53   0.011% *  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 = 230.3:
    * O T HA    LEU   31 - HB3   LEU   31   2.45 +/- 0.07 100.000% *100.0000% (1.00  10.0 10.00   6.00 230.32) = 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 = 230.3:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.971% * 99.2507% (1.00  10.0 10.00   6.00 230.32) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   7.86 +/- 1.53   0.024% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  11.12 +/- 1.04   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  11.57 +/- 1.04   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  14.91 +/- 3.37   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  14.25 +/- 1.27   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  17.28 +/- 1.08   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  15.71 +/- 2.20   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  18.24 +/- 2.71   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  20.33 +/- 2.35   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  19.80 +/- 1.25   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  25.97 +/- 2.06   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.96, residual support = 230.3:
    * O T HG    LEU   31 - HB3   LEU   31   2.64 +/- 0.33  87.300% * 98.0242% (0.80  10.0 10.00   5.96 230.32) =  99.992%  kept
          QG1   VAL   41 - HB3   LEU   31   4.01 +/- 0.68  12.396% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.004%
        T QD2   LEU   73 - HB3   LEU   31   7.05 +/- 0.71   0.302% *  1.1301% (0.92   1.0 10.00   0.02   3.33) =   0.004%
        T HG3   LYS+ 121 - HB3   LEU   31  19.45 +/- 1.59   0.001% *  0.6931% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   31  18.22 +/- 1.21   0.001% *  0.1221% (1.00   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 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 230.3:
    * O T QD1   LEU   31 - HB3   LEU   31   2.41 +/- 0.40 100.000% *100.0000% (1.00  10.0 10.00   4.87 230.32) = 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 = 230.3:
    * O T QD2   LEU   31 - HB3   LEU   31   2.85 +/- 0.22  99.149% * 99.6345% (1.00  10.0 10.00   5.76 230.32) =  99.998%  kept
        T QG2   VAL   43 - HB3   LEU   31   7.13 +/- 1.33   0.800% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - HB3   LEU   31  11.54 +/- 3.28   0.043% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  14.88 +/- 2.62   0.008% *  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 = 5.94, residual support = 230.3:
    * O T HA    LEU   31 - HG    LEU   31   3.24 +/- 0.42 100.000% *100.0000% (0.80  10.0 10.00   5.94 230.32) = 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 = 5.97, residual support = 230.3:
    * O T HB2   LEU   31 - HG    LEU   31   2.61 +/- 0.30  98.938% * 99.2507% (0.80  10.0 10.00   5.97 230.32) =  99.999%  kept
          HG    LEU   98 - HG    LEU   31   7.95 +/- 1.65   0.999% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HG    LEU   31  12.73 +/- 3.61   0.015% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  12.94 +/- 1.41   0.014% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  12.51 +/- 1.21   0.012% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  13.14 +/- 1.19   0.011% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  13.97 +/- 2.24   0.006% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  16.37 +/- 1.05   0.002% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  16.90 +/- 2.55   0.002% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  20.68 +/- 2.60   0.001% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  18.09 +/- 1.14   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  24.80 +/- 1.84   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 = 5.96, residual support = 230.3:
    * O T HB3   LEU   31 - HG    LEU   31   2.64 +/- 0.33  99.492% * 99.4283% (0.80  10.0 10.00   5.96 230.32) = 100.000%  kept
          QG1   VAL   24 - HG    LEU   31   8.17 +/- 1.53   0.482% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG    LEU   31  11.84 +/- 0.71   0.018% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  20.35 +/- 1.77   0.001% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  20.04 +/- 2.09   0.001% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  14.86 +/- 1.06   0.003% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.25 +/- 1.03   0.003% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  26.02 +/- 2.58   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 = 4.94, residual support = 230.3:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.94 230.32) = 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 = 5.83, residual support = 230.3:
    * O T QD2   LEU   31 - HG    LEU   31   2.12 +/- 0.01  99.118% * 99.6345% (0.80  10.0 10.00   5.84 230.32) =  99.998%  kept
        T QG2   VAL   43 - HG    LEU   31   5.62 +/- 1.30   0.856% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - HG    LEU   31   9.89 +/- 3.40   0.023% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  13.47 +/- 2.57   0.003% *  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 = 230.3:
    *   T HA    LEU   31 - QD1   LEU   31   3.66 +/- 0.13 100.000% *100.0000% (1.00 10.00   4.85 230.32) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.04 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 230.3:
    * O T HB2   LEU   31 - QD1   LEU   31   2.40 +/- 0.25  98.264% * 99.2507% (1.00  10.0 10.00   4.87 230.32) =  99.999%  kept
          HG    LEU   98 - QD1   LEU   31   6.37 +/- 1.92   1.603% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD1   LEU   31  10.14 +/- 2.82   0.046% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  10.45 +/- 1.11   0.025% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   31  11.05 +/- 1.25   0.018% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  11.50 +/- 0.86   0.011% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31  11.11 +/- 1.82   0.019% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  13.91 +/- 0.94   0.004% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  13.34 +/- 2.20   0.007% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  14.84 +/- 1.09   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  17.55 +/- 1.79   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.33 +/- 2.08   0.000% *  0.0984% (0.99   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 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 230.3:
    * O T HB3   LEU   31 - QD1   LEU   31   2.41 +/- 0.40  98.337% * 99.6763% (1.00  10.0 10.00   4.87 230.32) =  99.999%  kept
          QG1   VAL   24 - QD1   LEU   31   6.41 +/- 1.39   1.607% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   LEU   31  10.28 +/- 0.69   0.037% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.23 +/- 0.82   0.008% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  16.80 +/- 1.50   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.51 +/- 0.67   0.008% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  16.96 +/- 1.34   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  21.60 +/- 1.82   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 = 4.94, residual support = 230.3:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.02  96.463% * 99.6594% (0.80  10.0 10.00   4.94 230.32) =  99.998%  kept
          QG1   VAL   41 - QD1   LEU   31   4.40 +/- 0.82   3.077% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QD1   LEU   31   5.48 +/- 0.80   0.458% *  0.1149% (0.92   1.0  1.00   0.02   3.33) =   0.001%
          QD1   ILE   56 - QD1   LEU   31  14.08 +/- 0.79   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  16.24 +/- 1.31   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 = 230.3:
    * O T QD2   LEU   31 - QD1   LEU   31   2.08 +/- 0.03  96.405% * 99.6345% (1.00  10.0 10.00   4.62 230.32) =  99.991%  kept
        T QG2   VAL   43 - QD1   LEU   31   4.38 +/- 1.08   3.484% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.009%
          QG2   VAL   83 - QD1   LEU   31   7.64 +/- 2.73   0.099% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31  10.58 +/- 2.19   0.012% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 230.3:
    *   T HA    LEU   31 - QD2   LEU   31   2.19 +/- 0.47  99.582% * 99.9324% (1.00 10.00   5.74 230.32) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   7.16 +/- 1.33   0.418% *  0.0676% (0.07 10.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.03 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.3:
    * O T HB2   LEU   31 - QD2   LEU   31   2.93 +/- 0.36  90.967% * 98.7715% (1.00  10.0 10.00   5.76 230.32) =  99.998%  kept
          HG    LEU   98 - QD2   LEU   31   6.74 +/- 1.62   1.882% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   31 - QG2   VAL   43   7.41 +/- 1.20   0.707% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - QD2   LEU   31  11.61 +/- 1.61   0.035% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QG2   VAL   43   5.60 +/- 0.57   2.548% *  0.0054% (0.05   1.0  1.00   0.02  15.48) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31   9.52 +/- 1.07   0.136% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   6.57 +/- 1.56   2.386% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD2   LEU   31  10.57 +/- 2.59   0.088% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31  10.65 +/- 1.08   0.061% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.92 +/- 0.91   0.048% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   8.41 +/- 2.30   0.473% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  12.60 +/- 0.96   0.021% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   8.49 +/- 1.59   0.334% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43  10.15 +/- 0.95   0.073% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  14.34 +/- 1.96   0.010% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  14.48 +/- 0.89   0.008% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  16.64 +/- 2.07   0.004% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.53 +/- 0.84   0.101% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43  10.96 +/- 1.99   0.077% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.52 +/- 0.99   0.021% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  20.37 +/- 1.56   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.74 +/- 1.81   0.006% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.88 +/- 1.02   0.007% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  16.24 +/- 1.52   0.004% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.3:
    * O T HB3   LEU   31 - QD2   LEU   31   2.85 +/- 0.22  95.923% * 99.5873% (1.00  10.0 10.00   5.76 230.32) =  99.999%  kept
        T HB3   LEU   31 - QG2   VAL   43   7.13 +/- 1.33   0.770% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QD2   LEU   31   6.97 +/- 1.19   0.859% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   31   8.90 +/- 0.40   0.116% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   7.18 +/- 1.81   1.783% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.63 +/- 0.67   0.146% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  15.91 +/- 1.64   0.004% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.02 +/- 0.81   0.019% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.32 +/- 0.76   0.016% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   8.85 +/- 1.04   0.158% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.71 +/- 1.04   0.178% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.82 +/- 1.43   0.017% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  16.66 +/- 1.35   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  21.02 +/- 2.20   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  16.71 +/- 1.75   0.003% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  14.84 +/- 0.93   0.005% *  0.0019% (0.02   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 = 5.83, residual support = 230.3:
    * O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  83.075% * 99.5693% (0.80  10.0 10.00   5.84 230.32) =  99.992%  kept
          QD2   LEU   73 - QD2   LEU   31   3.90 +/- 0.62   3.264% *  0.1148% (0.92   1.0  1.00   0.02   3.33) =   0.005%
          QG1   VAL   41 - QD2   LEU   31   4.02 +/- 0.95   6.104% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   73 - QG2   VAL   43   4.66 +/- 1.39   6.681% *  0.0078% (0.06   1.0  1.00   0.02   7.90) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   5.62 +/- 1.30   0.725% *  0.0674% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - QG2   VAL   43   6.44 +/- 0.68   0.136% *  0.0021% (0.02   1.0  1.00   0.02   1.95) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  13.54 +/- 1.00   0.001% *  0.1241% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43   9.86 +/- 1.30   0.013% *  0.0084% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  16.01 +/- 1.15   0.001% *  0.0704% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.16 +/- 1.12   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 = 230.3:
    * O T QD1   LEU   31 - QD2   LEU   31   2.08 +/- 0.03  96.512% * 99.9324% (1.00  10.0 10.00   4.62 230.32) =  99.998%  kept
        T QD1   LEU   31 - QG2   VAL   43   4.38 +/- 1.08   3.488% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.686, support = 3.02, residual support = 42.5:
    * O T QB    GLN   32 - HA    GLN   32   2.46 +/- 0.05  66.401% * 48.6885% (0.69  10.0 10.00   2.96  44.40) =  94.419%  kept
        T QB    GLN   32 - HA    LYS+  33   4.01 +/- 0.10   3.625% * 50.1038% (0.71   1.0 10.00   4.39  11.45) =   5.304%  kept
        T QB    GLN   32 - HA    GLU-  29   2.89 +/- 0.34  29.922% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.277%
          HG3   GLU- 100 - HA    GLN   32  10.33 +/- 1.38   0.018% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  10.78 +/- 1.24   0.012% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLU-  29  10.37 +/- 0.53   0.013% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.12 +/- 0.56   0.002% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.40 +/- 0.47   0.001% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  15.20 +/- 1.33   0.001% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  17.36 +/- 1.43   0.001% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  13.92 +/- 1.45   0.003% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  19.98 +/- 1.04   0.000% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  22.04 +/- 1.20   0.000% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  17.92 +/- 1.58   0.001% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  16.94 +/- 1.06   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  28.05 +/- 0.80   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  28.52 +/- 0.83   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  29.91 +/- 2.35   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  28.66 +/- 2.22   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  28.42 +/- 0.95   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  31.13 +/- 2.02   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 = 43.7:
    * O T QG    GLN   32 - HA    GLN   32   2.25 +/- 0.11  90.726% * 48.7402% (0.69  10.0 10.00   2.96  44.40) =  97.770%  kept
        T QG    GLN   32 - HA    LYS+  33   4.66 +/- 0.60   1.965% * 50.1570% (0.71   1.0 10.00   4.39  11.45) =   2.179%  kept
        T QG    GLN   32 - HA    GLU-  29   4.44 +/- 0.91   7.294% *  0.3172% (0.45   1.0 10.00   0.02   0.02) =   0.051%
        T HB2   GLU- 100 - HA    GLN   32  11.27 +/- 1.00   0.007% *  0.1355% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  12.24 +/- 0.89   0.004% *  0.1395% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  16.15 +/- 1.07   0.001% *  0.0882% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  14.29 +/- 1.23   0.002% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  17.95 +/- 1.42   0.000% *  0.0423% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  18.71 +/- 1.43   0.000% *  0.0435% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.61 +/- 0.95   0.000% *  0.0296% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  22.73 +/- 0.68   0.000% *  0.0304% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.66 +/- 1.07   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.26 +/- 0.62   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  29.60 +/- 1.70   0.000% *  0.0993% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.78 +/- 0.67   0.000% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.34 +/- 0.87   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  30.73 +/- 1.57   0.000% *  0.0628% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  27.46 +/- 2.76   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  27.71 +/- 3.02   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  27.76 +/- 2.73   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  29.34 +/- 1.68   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 = 0.692, support = 3.02, residual support = 42.3:
    * O T HA    GLN   32 - QB    GLN   32   2.46 +/- 0.05  66.433% * 46.7473% (0.69  10.0 10.00   2.96  44.40) =  93.754%  kept
        T HA    LYS+  33 - QB    GLN   32   4.01 +/- 0.10   3.627% * 52.0093% (0.76   1.0 10.00   4.39  11.45) =   5.694%  kept
        T HA    GLU-  29 - QB    GLN   32   2.89 +/- 0.34  29.934% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.552%  kept
          HA    VAL   18 - QB    GLN   32  14.49 +/- 0.76   0.002% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  13.17 +/- 0.80   0.003% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  17.73 +/- 3.72   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  26.62 +/- 1.39   0.000% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  22.22 +/- 2.70   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  23.68 +/- 0.88   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  25.22 +/- 1.57   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 +/- 0.01  99.996% * 99.7611% (1.00  10.0 10.00   3.00  44.40) = 100.000%  kept
          HB2   GLU- 100 - QB    GLN   32  12.33 +/- 0.89   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QB    GLN   32  15.01 +/- 1.28   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  20.48 +/- 0.78   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  17.73 +/- 0.98   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  25.24 +/- 2.48   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  27.39 +/- 1.45   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 = 0.688, support = 2.99, residual support = 43.6:
    * O T HA    GLN   32 - QG    GLN   32   2.25 +/- 0.11  90.737% * 46.7583% (0.69  10.0 10.00   2.96  44.40) =  97.548%  kept
        T HA    LYS+  33 - QG    GLN   32   4.66 +/- 0.60   1.965% * 52.0216% (0.76   1.0 10.00   4.39  11.45) =   2.350%  kept
        T HA    GLU-  29 - QG    GLN   32   4.44 +/- 0.91   7.295% *  0.6105% (0.90   1.0 10.00   0.02   0.02) =   0.102%
          HA    VAL   70 - QG    GLN   32  13.75 +/- 0.79   0.002% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  15.91 +/- 0.84   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  18.79 +/- 3.75   0.000% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  25.94 +/- 1.62   0.000% *  0.3052% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  23.00 +/- 2.77   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  25.17 +/- 1.07   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.87 +/- 1.46   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 +/- 0.01  99.987% * 99.6746% (1.00  10.0 10.00   3.00  44.40) = 100.000%  kept
          HG3   GLU- 100 - QG    GLN   32  10.72 +/- 1.44   0.009% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QG    GLN   32  12.84 +/- 1.29   0.003% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.37 +/- 1.00   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  16.45 +/- 1.51   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  27.16 +/- 0.78   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  28.13 +/- 2.19   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 = 6.2, residual support = 149.9:
    * O T QB    LYS+  33 - HA    LYS+  33   2.20 +/- 0.04  98.671% * 96.5845% (1.00  10.0 10.00   6.20 149.95) =  99.998%  kept
        T QB    LYS+  33 - HA    GLN   32   5.40 +/- 0.22   0.463% *  0.2484% (0.26   1.0 10.00   0.02  11.45) =   0.001%
        T QB    LYS+  33 - HA    GLU-  29   6.06 +/- 1.08   0.422% *  0.2697% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    GLU-  29   5.83 +/- 0.36   0.314% *  0.0067% (0.07   1.0  1.00   0.02  19.48) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   7.92 +/- 0.42   0.048% *  0.0241% (0.25   1.0  1.00   0.02   0.16) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.79 +/- 0.26   0.013% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.69 +/- 0.13   0.055% *  0.0062% (0.06   1.0  1.00   0.02   1.58) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  18.25 +/- 1.96   0.000% *  0.2602% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  23.25 +/- 1.92   0.000% *  0.9321% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.92 +/- 0.23   0.007% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  21.36 +/- 2.26   0.000% *  0.2397% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.20 +/- 0.65   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  18.32 +/- 1.12   0.000% *  0.0892% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  18.71 +/- 0.93   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  15.34 +/- 1.04   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  20.41 +/- 0.85   0.000% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  16.81 +/- 1.14   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.55 +/- 0.32   0.001% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  18.37 +/- 1.13   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  18.33 +/- 1.05   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  19.29 +/- 1.05   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  20.60 +/- 1.12   0.000% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  30.96 +/- 1.47   0.000% *  0.2408% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  21.87 +/- 0.86   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  22.76 +/- 1.13   0.000% *  0.0249% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  26.87 +/- 1.41   0.000% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  29.94 +/- 1.76   0.000% *  0.0957% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  30.08 +/- 1.90   0.000% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  28.93 +/- 1.37   0.000% *  0.0672% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  25.69 +/- 2.87   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  25.59 +/- 1.62   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  29.85 +/- 1.70   0.000% *  0.0619% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  27.53 +/- 1.94   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  28.22 +/- 1.94   0.000% *  0.0260% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.15 +/- 1.45   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  26.41 +/- 1.47   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  29.86 +/- 1.96   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  27.68 +/- 1.38   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  26.42 +/- 2.67   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  24.92 +/- 1.37   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  28.72 +/- 2.66   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  25.69 +/- 1.60   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 = 0.991, support = 5.98, residual support = 148.3:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.24 +/- 0.28  90.779% * 76.3092% (1.00  10.0 10.00   6.00 149.95) =  98.813%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.97 +/- 0.82   4.192% * 19.6245% (0.26   1.0 10.00   4.18  11.45) =   1.173%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.74 +/- 1.61   4.281% *  0.2130% (0.28   1.0 10.00   0.02   0.02) =   0.013%
        T HG3   LYS+ 102 - HA    LYS+  33  16.75 +/- 2.01   0.007% *  0.7219% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  14.00 +/- 2.26   0.024% *  0.1856% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  33  13.92 +/- 2.59   0.044% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  12.20 +/- 0.85   0.036% *  0.0736% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  11.18 +/- 0.48   0.057% *  0.0401% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  12.75 +/- 0.72   0.026% *  0.0756% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32   9.24 +/- 0.78   0.191% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  10.82 +/- 0.34   0.070% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  20.80 +/- 1.03   0.001% *  0.6110% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  18.21 +/- 2.19   0.004% *  0.2015% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  21.93 +/- 0.97   0.001% *  0.7563% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  12.05 +/- 0.88   0.039% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  12.98 +/- 0.84   0.024% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  18.63 +/- 1.29   0.003% *  0.1571% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  12.09 +/- 0.73   0.037% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  17.06 +/- 2.53   0.020% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  14.28 +/- 0.78   0.014% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  20.80 +/- 1.32   0.001% *  0.1706% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  13.74 +/- 1.09   0.018% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  17.57 +/- 2.75   0.010% *  0.0157% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  11.59 +/- 1.18   0.050% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  23.93 +/- 1.22   0.001% *  0.2112% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  23.95 +/- 1.03   0.001% *  0.1945% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.92 +/- 0.91   0.005% *  0.0212% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  15.10 +/- 0.67   0.010% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.18 +/- 1.35   0.016% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  14.80 +/- 2.68   0.015% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  16.64 +/- 1.77   0.006% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  20.72 +/- 1.94   0.002% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  19.89 +/- 2.95   0.002% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.33 +/- 0.76   0.004% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  18.75 +/- 2.15   0.003% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  18.07 +/- 3.03   0.004% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  24.06 +/- 2.06   0.001% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.13 +/- 0.98   0.000% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  32.30 +/- 2.16   0.000% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  23.33 +/- 2.05   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  23.58 +/- 0.77   0.001% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.08 +/- 1.17   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  26.04 +/- 1.76   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  31.77 +/- 2.16   0.000% *  0.0176% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  32.37 +/- 1.89   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.11 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 4.78, residual support = 149.2:
    *   T QD    LYS+  33 - HA    LYS+  33   3.42 +/- 0.72  94.382% * 78.2604% (1.00 10.00   4.79 149.95) =  99.433%  kept
        T QD    LYS+  33 - HA    GLN   32   6.51 +/- 1.24   2.055% * 20.1263% (0.26 10.00   3.10  11.45) =   0.557%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.45 +/- 1.28   3.529% *  0.2185% (0.28 10.00   0.02   0.02) =   0.010%
          HD2   LYS+  74 - HA    LYS+  33  18.45 +/- 1.08   0.006% *  0.0443% (0.57  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  22.25 +/- 0.95   0.002% *  0.0679% (0.87  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  17.01 +/- 0.57   0.010% *  0.0124% (0.16  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  33.54 +/- 1.62   0.000% *  0.7019% (0.90 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  25.70 +/- 2.89   0.001% *  0.0783% (1.00  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.62 +/- 1.05   0.006% *  0.0114% (0.15  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  21.67 +/- 1.17   0.002% *  0.0190% (0.24  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  32.07 +/- 1.91   0.000% *  0.1805% (0.23 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  32.90 +/- 1.60   0.000% *  0.1960% (0.25 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  22.46 +/- 1.06   0.002% *  0.0175% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  26.47 +/- 2.59   0.001% *  0.0201% (0.26  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  29.08 +/- 2.66   0.000% *  0.0218% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  30.66 +/- 2.32   0.000% *  0.0155% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  28.75 +/- 2.21   0.001% *  0.0043% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  30.42 +/- 2.34   0.000% *  0.0040% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.18 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.795, support = 4.93, residual support = 116.9:
    *   T QE    LYS+  33 - HA    LYS+  33   3.80 +/- 0.83  28.977% * 50.2468% (1.00 10.00   5.44 149.95) =  74.435%  kept
        T HB2   ASN   28 - HA    GLU-  29   3.93 +/- 0.28  18.573% * 13.7506% (0.27 10.00   4.79  35.16) =  13.056%  kept
        T HB2   ASN   35 - HA    GLN   32   3.45 +/- 0.65  45.975% *  4.4078% (0.09 10.00   2.17   6.45) =  10.360%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.61 +/- 0.24   1.925% * 16.8864% (0.34 10.00   1.97   1.16) =   1.662%  kept
        T QE    LYS+  33 - HA    GLN   32   6.89 +/- 1.28   0.696% * 12.9220% (0.26 10.00   3.28  11.45) =   0.460%
        T QE    LYS+  33 - HA    GLU-  29   7.01 +/- 1.72   3.298% *  0.1403% (0.28 10.00   0.02   0.02) =   0.024%
        T HB2   ASN   28 - HA    GLN   32   7.80 +/- 0.59   0.316% *  0.1267% (0.25 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   28 - HA    LYS+  33  10.41 +/- 0.88   0.060% *  0.4925% (0.98 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   35 - HA    GLU-  29   8.63 +/- 0.50   0.145% *  0.0479% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  20.73 +/- 1.15   0.001% *  0.4506% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  13.33 +/- 1.69   0.014% *  0.0078% (0.15  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  20.83 +/- 1.56   0.001% *  0.1119% (0.22 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  16.79 +/- 1.19   0.003% *  0.0312% (0.06 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  22.36 +/- 1.52   0.001% *  0.1258% (0.25 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  22.64 +/- 1.11   0.000% *  0.1159% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  17.53 +/- 3.64   0.004% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  20.11 +/- 1.28   0.001% *  0.0288% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  22.39 +/- 4.04   0.001% *  0.0345% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  19.14 +/- 4.41   0.002% *  0.0089% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  15.91 +/- 1.42   0.004% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.60 +/- 1.33   0.000% *  0.0325% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  21.19 +/- 1.09   0.001% *  0.0091% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  18.79 +/- 1.28   0.001% *  0.0022% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.54 +/- 1.24   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 = 6.2, residual support = 149.9:
    * O T HA    LYS+  33 - QB    LYS+  33   2.20 +/- 0.04  98.603% * 98.1731% (1.00  10.0 10.00   6.20 149.95) =  99.994%  kept
        T HA    GLU-  29 - QB    LYS+  33   6.06 +/- 1.08   0.423% *  0.9474% (0.97   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLN   32 - QB    LYS+  33   5.40 +/- 0.22   0.463% *  0.2730% (0.28   1.0 10.00   0.02  11.45) =   0.001%
          HB2   SER   37 - QB    LYS+  33   5.84 +/- 0.83   0.485% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    LYS+  33   9.61 +/- 0.97   0.018% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  10.91 +/- 0.84   0.008% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  19.84 +/- 3.19   0.000% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  22.85 +/- 1.49   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  25.72 +/- 1.21   0.000% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  22.77 +/- 0.84   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  23.86 +/- 2.42   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 = 6.2, residual support = 149.9:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.44 +/- 0.09  99.854% * 96.3761% (1.00  10.0 10.00   6.20 149.95) = 100.000%  kept
        T QB    LEU   98 - QB    LYS+  33   9.86 +/- 0.46   0.025% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+  33   9.06 +/- 0.84   0.050% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  10.01 +/- 0.75   0.024% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33  11.48 +/- 2.25   0.028% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  15.64 +/- 1.62   0.002% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  17.69 +/- 0.96   0.001% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.05 +/- 0.90   0.001% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  11.90 +/- 1.06   0.009% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  13.07 +/- 0.90   0.005% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  16.37 +/- 2.61   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  17.44 +/- 1.68   0.001% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  20.88 +/- 1.75   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  20.87 +/- 0.91   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  27.42 +/- 1.87   0.000% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 149.9:
    * O T QD    LYS+  33 - QB    LYS+  33   2.26 +/- 0.28  99.997% * 97.3258% (1.00  10.0 10.00   5.06 149.95) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  14.50 +/- 1.02   0.002% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  22.07 +/- 2.43   0.000% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  18.27 +/- 0.87   0.000% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  28.80 +/- 1.43   0.000% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  25.45 +/- 2.05   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 0.01 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 149.9:
    *   T QE    LYS+  33 - QB    LYS+  33   2.89 +/- 0.61  98.470% * 98.6189% (1.00 10.00   5.64 149.95) =  99.999%  kept
          HB2   ASN   35 - QB    LYS+  33   6.59 +/- 0.36   1.224% *  0.0336% (0.34  1.00   0.02   1.16) =   0.000%
          HB2   ASN   28 - QB    LYS+  33   8.89 +/- 1.00   0.240% *  0.0967% (0.98  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  16.79 +/- 1.07   0.004% *  0.8844% (0.90 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  16.81 +/- 1.54   0.006% *  0.2196% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  11.35 +/- 1.50   0.052% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  19.20 +/- 3.43   0.003% *  0.0677% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  21.14 +/- 1.29   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 = 0.999, support = 6.0, residual support = 149.9:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.24 +/- 0.28  86.234% * 93.2464% (1.00  10.0 10.00   6.00 149.95) =  99.937%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.74 +/- 1.61   4.239% *  0.8999% (0.97   1.0 10.00   0.02   0.02) =   0.047%
        T HA    GLN   32 - HG3   LYS+  33   5.97 +/- 0.82   4.139% *  0.2593% (0.28   1.0 10.00   0.02  11.45) =   0.013%
          HB2   SER   37 - HG3   LYS+  33   6.49 +/- 1.95   4.663% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   LYS+  65   8.61 +/- 1.31   0.438% *  0.0762% (0.82   1.0  1.00   0.02   0.10) =   0.000%
          HA    VAL   70 - HG3   LYS+  33  10.60 +/- 1.70   0.097% *  0.0809% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  16.75 +/- 2.01   0.007% *  0.4632% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.00 +/- 2.26   0.023% *  0.1288% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  12.32 +/- 0.85   0.034% *  0.0882% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  18.21 +/- 2.19   0.004% *  0.4470% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  13.27 +/- 0.97   0.025% *  0.0698% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  13.38 +/- 1.14   0.020% *  0.0514% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  14.24 +/- 1.06   0.014% *  0.0698% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  21.93 +/- 0.97   0.001% *  0.8052% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  20.80 +/- 1.32   0.001% *  0.5718% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  20.80 +/- 1.03   0.001% *  0.5925% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  14.72 +/- 0.77   0.011% *  0.0514% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  23.93 +/- 1.22   0.001% *  0.7771% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  18.63 +/- 1.29   0.003% *  0.1647% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  15.17 +/- 1.21   0.011% *  0.0402% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  18.08 +/- 0.85   0.003% *  0.0561% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.93 +/- 1.47   0.002% *  0.0914% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  23.95 +/- 1.03   0.001% *  0.2239% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  22.09 +/- 3.73   0.001% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  19.20 +/- 2.01   0.002% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  16.34 +/- 1.82   0.008% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  18.47 +/- 2.93   0.004% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  22.82 +/- 3.45   0.001% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.76 +/- 1.18   0.001% *  0.0438% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  21.99 +/- 2.03   0.001% *  0.0402% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  19.29 +/- 0.87   0.002% *  0.0179% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  25.36 +/- 2.04   0.000% *  0.0809% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.65 +/- 1.10   0.001% *  0.0312% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  26.25 +/- 4.35   0.001% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  25.38 +/- 1.03   0.000% *  0.0491% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  20.13 +/- 0.88   0.002% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.24 +/- 1.64   0.002% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  28.34 +/- 1.62   0.000% *  0.0722% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  24.72 +/- 3.93   0.001% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  26.56 +/- 2.96   0.000% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  28.71 +/- 1.30   0.000% *  0.0249% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.48 +/- 1.63   0.000% *  0.0244% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.67 +/- 1.38   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.49 +/- 1.82   0.000% *  0.0071% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.85, support = 6.1, residual support = 144.6:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.44 +/- 0.09  48.214% * 60.0127% (1.00  10.0 10.00   6.20 149.95) =  62.310%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.43 +/- 0.07  48.514% * 36.0742% (0.60  10.0 10.00   5.95 135.68) =  37.688%  kept
          HB    ILE  103 - HG3   LYS+ 102   5.91 +/- 1.35   1.811% *  0.0282% (0.47   1.0  1.00   0.02  22.40) =   0.001%
          HB3   ASP- 105 - HG3   LYS+ 106   5.18 +/- 0.33   0.562% *  0.0374% (0.62   1.0  1.00   0.02  20.34) =   0.000%
          HB    ILE  103 - HG3   LYS+ 106   5.74 +/- 0.74   0.368% *  0.0361% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  33   6.09 +/- 1.43   0.477% *  0.0150% (0.25   1.0  1.00   0.02   0.16) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.11 +/- 1.73   0.010% *  0.2820% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65  10.75 +/- 1.22   0.009% *  0.0478% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.68 +/- 1.56   0.012% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  15.64 +/- 1.62   0.001% *  0.2981% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  17.74 +/- 0.84   0.000% *  0.5677% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  17.69 +/- 0.96   0.000% *  0.5182% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  17.92 +/- 1.46   0.000% *  0.4902% (0.82   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.05 +/- 0.90   0.000% *  0.3814% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  12.13 +/- 1.22   0.004% *  0.0292% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  12.31 +/- 1.93   0.005% *  0.0123% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.05 +/- 1.22   0.002% *  0.0293% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  17.08 +/- 1.92   0.001% *  0.0554% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  16.52 +/- 1.50   0.001% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  14.95 +/- 0.99   0.001% *  0.0216% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  14.11 +/- 1.36   0.002% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  17.86 +/- 1.45   0.000% *  0.0508% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  17.93 +/- 0.56   0.000% *  0.0568% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  18.71 +/- 2.37   0.000% *  0.0352% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.42 +/- 1.12   0.000% *  0.0588% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.06 +/- 0.70   0.001% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  15.99 +/- 1.37   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  19.81 +/- 1.22   0.000% *  0.0378% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  21.85 +/- 2.13   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  20.84 +/- 2.25   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  18.24 +/- 0.90   0.000% *  0.0157% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  20.73 +/- 2.24   0.000% *  0.0275% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.48 +/- 1.32   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  21.81 +/- 1.14   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.98 +/- 2.03   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  18.52 +/- 1.21   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  17.46 +/- 2.00   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.87 +/- 2.09   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.93 +/- 1.06   0.000% *  0.0490% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  24.36 +/- 1.32   0.000% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  22.23 +/- 1.01   0.000% *  0.0213% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  24.89 +/- 1.54   0.000% *  0.0340% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.37 +/- 3.27   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  27.05 +/- 1.33   0.000% *  0.0514% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  27.90 +/- 1.92   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  25.47 +/- 2.79   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  28.32 +/- 1.99   0.000% *  0.0595% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  21.48 +/- 2.48   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  24.66 +/- 1.72   0.000% *  0.0169% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  22.00 +/- 1.30   0.000% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  27.59 +/- 2.29   0.000% *  0.0295% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  30.97 +/- 1.87   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.01 +/- 1.29   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  23.52 +/- 1.80   0.000% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  28.98 +/- 1.37   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.07 +/- 2.05   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 = 149.9:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.37 +/- 0.16  99.944% * 94.8130% (1.00  10.0 10.00   4.55 149.95) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  65   9.50 +/- 1.06   0.033% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 106  15.21 +/- 2.29   0.002% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  17.56 +/- 1.73   0.001% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  11.81 +/- 1.53   0.010% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  16.92 +/- 1.80   0.001% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.05 +/- 1.06   0.000% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  15.33 +/- 1.34   0.002% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  23.45 +/- 1.72   0.000% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  15.86 +/- 1.22   0.001% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  16.33 +/- 1.23   0.001% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  16.24 +/- 1.27   0.001% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  25.46 +/- 2.96   0.000% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  16.55 +/- 1.16   0.001% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  20.42 +/- 0.89   0.000% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  17.07 +/- 1.88   0.001% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.97 +/- 1.38   0.000% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  24.47 +/- 3.36   0.000% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  21.03 +/- 2.32   0.000% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  23.12 +/- 1.24   0.000% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.61 +/- 1.06   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.25 +/- 1.66   0.000% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  28.48 +/- 2.31   0.000% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  31.45 +/- 2.13   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 = 0.862, support = 4.6, residual support = 159.1:
      O T QE    LYS+  65 - HG3   LYS+  65   2.27 +/- 0.38  66.903% * 42.3520% (0.77  10.0 10.00   4.29 164.86) =  61.111%  kept
    * O T QE    LYS+  33 - HG3   LYS+  33   2.68 +/- 0.51  32.972% * 54.6859% (1.00  10.0 10.00   5.08 149.95) =  38.889%  kept
          HB2   ASN   28 - HG3   LYS+  33   9.89 +/- 1.64   0.029% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  33   7.30 +/- 0.53   0.072% *  0.0187% (0.34   1.0  1.00   0.02   1.16) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  17.88 +/- 1.96   0.001% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.86 +/- 1.44   0.000% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.21 +/- 1.67   0.001% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.56 +/- 1.40   0.000% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.07 +/- 1.12   0.000% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.06 +/- 2.15   0.008% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  12.59 +/- 2.40   0.005% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  18.78 +/- 1.82   0.000% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  16.36 +/- 4.25   0.002% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  19.06 +/- 1.20   0.000% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  14.83 +/- 1.28   0.002% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  20.64 +/- 1.25   0.000% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.11 +/- 1.03   0.000% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.26 +/- 2.34   0.001% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  20.49 +/- 5.16   0.001% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  21.40 +/- 4.15   0.000% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.65 +/- 1.61   0.000% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.08 +/- 1.17   0.000% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.10 +/- 1.06   0.000% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.57 +/- 1.10   0.000% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.59 +/- 1.67   0.000% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  26.08 +/- 1.37   0.000% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.80 +/- 1.52   0.000% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  18.65 +/- 1.06   0.000% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  17.73 +/- 1.61   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.93 +/- 1.98   0.000% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  24.36 +/- 1.04   0.000% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  29.33 +/- 1.68   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 = 0.996, support = 4.77, residual support = 149.3:
    *   T HA    LYS+  33 - QD    LYS+  33   3.42 +/- 0.72  87.950% * 87.2294% (1.00 10.00   4.79 149.95) =  99.558%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.45 +/- 1.28   3.347% *  9.9825% (0.97 10.00   0.24   0.02) =   0.434%
        T HA    GLN   32 - QD    LYS+  33   6.51 +/- 1.24   1.926% *  0.2425% (0.28 10.00   0.02  11.45) =   0.006%
          HB2   SER   37 - QD    LYS+  33   6.49 +/- 1.10   5.923% *  0.0194% (0.22  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QD    LYS+  33  10.17 +/- 1.70   0.400% *  0.0757% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD    LYS+  33  10.74 +/- 1.81   0.303% *  0.0825% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   LYS+ 111  11.83 +/- 0.75   0.078% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.69 +/- 2.65   0.054% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  19.99 +/- 3.12   0.005% *  0.0782% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  21.62 +/- 2.39   0.003% *  0.0411% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  23.34 +/- 2.29   0.002% *  0.0757% (0.87  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  32.90 +/- 1.60   0.000% *  0.7544% (0.86 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  33.54 +/- 1.62   0.000% *  0.7817% (0.90 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  22.63 +/- 1.25   0.002% *  0.0459% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.11 +/- 2.36   0.003% *  0.0241% (0.28  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  24.88 +/- 1.51   0.001% *  0.0739% (0.85  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  25.33 +/- 1.61   0.001% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.07 +/- 1.91   0.000% *  0.2173% (0.25 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  24.40 +/- 2.51   0.001% *  0.0269% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  28.62 +/- 2.16   0.000% *  0.0701% (0.80  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  25.91 +/- 1.39   0.001% *  0.0135% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  32.40 +/- 1.56   0.000% *  0.0174% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 149.9:
    * O T QB    LYS+  33 - QD    LYS+  33   2.26 +/- 0.28  99.419% * 94.1852% (1.00  10.0 10.00   5.06 149.95) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   5.92 +/- 0.83   0.521% *  0.0235% (0.25   1.0  1.00   0.02   0.16) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  15.52 +/- 2.02   0.002% *  0.8694% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.72 +/- 0.85   0.014% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  17.38 +/- 1.90   0.001% *  0.8145% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  12.46 +/- 1.67   0.006% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  11.62 +/- 1.94   0.009% *  0.0478% (0.51   1.0  1.00   0.02   2.19) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  11.28 +/- 2.94   0.016% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  15.69 +/- 2.40   0.002% *  0.0827% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  18.43 +/- 1.61   0.000% *  0.2105% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  12.39 +/- 1.92   0.008% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  24.99 +/- 2.08   0.000% *  0.9090% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  16.91 +/- 0.94   0.001% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  17.49 +/- 0.68   0.001% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  25.96 +/- 2.50   0.000% *  0.7791% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  22.43 +/- 3.24   0.000% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.51 +/- 1.37   0.000% *  0.0923% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  19.10 +/- 1.94   0.000% *  0.0837% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  19.67 +/- 1.69   0.000% *  0.0909% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  28.80 +/- 1.43   0.000% *  0.8440% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  20.47 +/- 2.14   0.000% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  23.69 +/- 1.77   0.000% *  0.0815% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  22.69 +/- 1.91   0.000% *  0.0533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  25.82 +/- 1.80   0.000% *  0.0934% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  23.93 +/- 1.44   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  26.32 +/- 1.63   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  28.37 +/- 1.37   0.000% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  31.57 +/- 1.97   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 = 149.9:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.37 +/- 0.16  99.744% * 93.1714% (1.00  10.0 10.00   4.55 149.95) = 100.000%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.75 +/- 0.76   0.103% *  0.0749% (0.80   1.0  1.00   0.02  28.08) =   0.000%
          HB3   LEU   73 - QD    LYS+  33   9.42 +/- 1.39   0.060% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  33  10.84 +/- 1.99   0.028% *  0.0746% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  10.67 +/- 1.51   0.022% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  15.21 +/- 2.29   0.002% *  0.6686% (0.72   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  16.92 +/- 1.80   0.001% *  0.8814% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  17.56 +/- 1.73   0.001% *  0.9235% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.00 +/- 0.70   0.012% *  0.0490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  14.77 +/- 1.93   0.003% *  0.2082% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.05 +/- 1.06   0.000% *  0.7461% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  12.02 +/- 1.37   0.010% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  12.92 +/- 1.55   0.006% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  23.45 +/- 1.72   0.000% *  0.8275% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  25.46 +/- 2.96   0.000% *  0.7898% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.10 +/- 0.87   0.004% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  16.52 +/- 2.78   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  21.64 +/- 1.58   0.000% *  0.0828% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.97 +/- 1.38   0.000% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.71 +/- 1.82   0.001% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  20.44 +/- 1.84   0.000% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.39 +/- 1.81   0.001% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  24.05 +/- 1.38   0.000% *  0.0806% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  21.64 +/- 2.23   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.31 +/- 1.46   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  27.80 +/- 2.51   0.000% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.48 +/- 2.02   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  23.76 +/- 1.29   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  25.37 +/- 2.20   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  34.16 +/- 2.43   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 = 4.2, residual support = 149.9:
    * O T QE    LYS+  33 - QD    LYS+  33   2.10 +/- 0.03  99.929% * 96.5704% (1.00  10.0 10.00   4.20 149.95) = 100.000%  kept
          HB2   ASN   28 - QD    LYS+  33   9.42 +/- 1.14   0.017% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  33   7.86 +/- 0.77   0.045% *  0.0329% (0.34   1.0  1.00   0.02   1.16) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  16.58 +/- 1.95   0.001% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  16.71 +/- 1.92   0.001% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  11.75 +/- 2.16   0.007% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.76 +/- 1.59   0.000% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  19.87 +/- 3.50   0.000% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.91 +/- 1.61   0.000% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  24.81 +/- 1.45   0.000% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.05 +/- 1.62   0.000% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.24 +/- 3.28   0.000% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.41 +/- 1.83   0.000% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  31.16 +/- 1.86   0.000% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.07 +/- 2.07   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  28.85 +/- 1.61   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 = 148.4:
    *   T HA    LYS+  33 - QE    LYS+  33   3.80 +/- 0.83  63.308% * 76.3050% (1.00 10.00   5.44 149.95) =  98.898%  kept
        T HA    GLN   32 - QE    LYS+  33   6.89 +/- 1.28   2.185% * 21.2156% (0.28 10.00   3.28  11.45) =   0.949%  kept
        T HA    GLU-  29 - QE    LYS+  33   7.01 +/- 1.72   9.504% *  0.7364% (0.97 10.00   0.02   0.02) =   0.143%
          HB2   SER   37 - QE    LYS+  33   6.23 +/- 1.93  21.506% *  0.0170% (0.22  1.00   0.02   0.02) =   0.007%
          HA    VAL   18 - QE    LYS+  65   8.62 +/- 1.56   1.153% *  0.0371% (0.49  1.00   0.02   0.10) =   0.001%
          HA    VAL   70 - QE    LYS+  33  10.37 +/- 2.17   0.450% *  0.0662% (0.87  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QE    LYS+  33  11.29 +/- 1.70   0.228% *  0.0722% (0.95  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASP-  76   8.28 +/- 1.32   1.234% *  0.0060% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  65  13.42 +/- 0.82   0.047% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  10.98 +/- 0.78   0.150% *  0.0102% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  16.79 +/- 1.19   0.014% *  0.1098% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  20.73 +/- 1.15   0.003% *  0.3923% (0.51 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  13.74 +/- 0.93   0.037% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  22.36 +/- 1.52   0.002% *  0.3786% (0.50 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  13.45 +/- 1.31   0.052% *  0.0108% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  20.83 +/- 1.56   0.004% *  0.1138% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  20.73 +/- 3.53   0.005% *  0.0684% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  17.08 +/- 2.05   0.012% *  0.0206% (0.27  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.64 +/- 1.11   0.002% *  0.1091% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  20.11 +/- 1.28   0.004% *  0.0316% (0.04 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  23.70 +/- 2.47   0.002% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.64 +/- 0.73   0.026% *  0.0035% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  13.97 +/- 1.84   0.046% *  0.0018% (0.02  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  23.36 +/- 1.44   0.002% *  0.0401% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.50 +/- 0.88   0.007% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.24 +/- 1.73   0.008% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  20.67 +/- 0.79   0.003% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  25.90 +/- 1.67   0.001% *  0.0352% (0.46  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  25.17 +/- 2.60   0.001% *  0.0236% (0.31  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  23.23 +/- 1.36   0.002% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.62 +/- 1.55   0.001% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  26.41 +/- 1.34   0.001% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  23.57 +/- 1.56   0.002% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.15 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 149.9:
    *   T QB    LYS+  33 - QE    LYS+  33   2.89 +/- 0.61  98.107% * 97.9499% (1.00 10.00   5.64 149.95) =  99.999%  kept
          HB3   GLN   30 - QE    LYS+  33   6.82 +/- 0.96   1.208% *  0.0244% (0.25  1.00   0.02   0.16) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  10.59 +/- 1.51   0.110% *  0.0403% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   8.35 +/- 0.65   0.307% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  65  10.98 +/- 1.12   0.069% *  0.0465% (0.47  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  16.79 +/- 1.07   0.004% *  0.5035% (0.51 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  15.57 +/- 2.37   0.010% *  0.0904% (0.92  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  16.81 +/- 1.54   0.006% *  0.1461% (0.15 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.14 +/- 1.30   0.021% *  0.0285% (0.29  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  14.59 +/- 1.97   0.010% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  17.42 +/- 1.17   0.004% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  13.75 +/- 1.73   0.024% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  13.59 +/- 1.55   0.020% *  0.0145% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  17.96 +/- 0.86   0.003% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  18.92 +/- 1.42   0.002% *  0.0960% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  13.91 +/- 2.09   0.013% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.49 +/- 1.28   0.004% *  0.0494% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  17.25 +/- 1.12   0.004% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  20.35 +/- 2.02   0.002% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  13.09 +/- 1.65   0.028% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.90 +/- 1.32   0.004% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  22.64 +/- 3.44   0.002% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  16.10 +/- 1.69   0.005% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  17.57 +/- 1.42   0.003% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  14.35 +/- 1.95   0.016% *  0.0023% (0.02  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  22.14 +/- 1.45   0.001% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.29 +/- 1.80   0.001% *  0.0555% (0.57  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.89 +/- 0.92   0.001% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  25.65 +/- 2.23   0.000% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  18.09 +/- 2.08   0.002% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  26.61 +/- 1.79   0.000% *  0.0971% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.35 +/- 1.70   0.006% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  21.34 +/- 0.97   0.001% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  24.70 +/- 1.40   0.000% *  0.0499% (0.51  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  22.13 +/- 0.84   0.001% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  22.42 +/- 1.08   0.001% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  20.33 +/- 1.49   0.001% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  24.65 +/- 1.51   0.000% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  27.00 +/- 1.65   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  24.88 +/- 1.28   0.000% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  26.65 +/- 0.99   0.000% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  27.10 +/- 1.76   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 = 0.75, support = 4.68, residual support = 157.5:
      O T HG3   LYS+  65 - QE    LYS+  65   2.27 +/- 0.38  66.541% * 32.5421% (0.51  10.0 10.00   4.29 164.86) =  50.879%  kept
    * O T HG3   LYS+  33 - QE    LYS+  33   2.68 +/- 0.51  32.732% * 63.8684% (1.00  10.0 10.00   5.08 149.95) =  49.121%  kept
          QB    ALA   12 - QE    LYS+  33  10.61 +/- 2.13   0.044% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  33  10.25 +/- 1.26   0.023% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  33  11.22 +/- 1.68   0.014% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.92 +/- 0.96   0.368% *  0.0015% (0.02   1.0  1.00   0.02   3.23) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  17.21 +/- 1.67   0.001% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  17.88 +/- 1.96   0.001% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   6.95 +/- 1.08   0.125% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.41 +/- 0.86   0.007% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.70 +/- 0.55   0.102% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  19.56 +/- 1.40   0.000% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  18.86 +/- 1.44   0.000% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  12.84 +/- 0.88   0.004% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.37 +/- 0.68   0.009% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  14.14 +/- 1.36   0.002% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  11.99 +/- 1.60   0.007% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.66 +/- 1.53   0.004% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  20.07 +/- 1.12   0.000% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  15.33 +/- 2.02   0.002% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  18.78 +/- 1.82   0.000% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  19.06 +/- 1.20   0.000% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.62 +/- 1.33   0.002% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  16.72 +/- 2.12   0.001% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  25.11 +/- 1.03   0.000% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  15.04 +/- 1.35   0.002% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  20.64 +/- 1.25   0.000% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  17.33 +/- 3.08   0.001% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  17.58 +/- 0.66   0.000% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  18.37 +/- 1.99   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  15.80 +/- 0.73   0.001% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  13.36 +/- 1.27   0.003% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  26.08 +/- 1.37   0.000% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  22.01 +/- 2.51   0.001% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  18.23 +/- 1.50   0.000% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  19.19 +/- 1.05   0.000% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  21.98 +/- 1.38   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  17.53 +/- 0.75   0.000% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  28.27 +/- 2.57   0.000% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  21.94 +/- 2.63   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  19.08 +/- 1.10   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  20.81 +/- 1.68   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  23.43 +/- 1.71   0.000% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  18.56 +/- 1.55   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  25.53 +/- 1.71   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 = 4.2, residual support = 149.9:
    * O T QD    LYS+  33 - QE    LYS+  33   2.10 +/- 0.03  99.894% * 97.4730% (1.00  10.0 10.00   4.20 149.95) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   8.52 +/- 1.17   0.031% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   7.95 +/- 1.26   0.057% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  16.58 +/- 1.95   0.001% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.20 +/- 1.41   0.006% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  16.71 +/- 1.92   0.001% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  12.05 +/- 1.84   0.005% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  14.88 +/- 1.63   0.001% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.24 +/- 1.56   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.76 +/- 1.59   0.000% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  15.06 +/- 2.13   0.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.85 +/- 1.44   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  22.74 +/- 3.48   0.000% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.91 +/- 1.61   0.000% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  24.81 +/- 1.45   0.000% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  14.32 +/- 1.91   0.002% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  26.16 +/- 2.63   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  28.37 +/- 1.63   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 = 25.5:
    * O T QB    ALA   34 - HA    ALA   34   2.12 +/- 0.01  90.803% * 99.3602% (0.80  10.0 10.00   1.93  25.53) =  99.997%  kept
          QG2   THR   39 - HA    ALA   34   3.98 +/- 0.84   9.129% *  0.0308% (0.25   1.0  1.00   0.02   8.94) =   0.003%
          HG3   LYS+  38 - HA    ALA   34   7.24 +/- 0.47   0.063% *  0.0583% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  16.69 +/- 2.18   0.001% *  0.2281% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA   34  15.99 +/- 0.72   0.001% *  0.1098% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  13.55 +/- 2.57   0.003% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  19.01 +/- 1.54   0.000% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.86 +/- 0.63   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  18.06 +/- 1.13   0.000% *  0.0185% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  19.48 +/- 2.84   0.000% *  0.0134% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.87 +/- 1.17   0.000% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  28.42 +/- 1.83   0.000% *  0.0252% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  24.04 +/- 1.26   0.000% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  25.97 +/- 1.54   0.000% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.5:
    * O T HA    ALA   34 - QB    ALA   34   2.12 +/- 0.01  99.541% * 98.8230% (0.80  10.0 10.00   1.93  25.53) = 100.000%  kept
          HA1   GLY  101 - QB    ALA   34   6.88 +/- 1.94   0.271% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    ALA   34   7.11 +/- 0.35   0.073% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   34   6.67 +/- 0.03   0.103% *  0.0170% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  16.69 +/- 2.18   0.001% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.85 +/- 0.31   0.010% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  16.77 +/- 1.46   0.000% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  19.35 +/- 1.10   0.000% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  20.81 +/- 1.20   0.000% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  18.72 +/- 1.54   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   2.74 +/- 0.07  99.478% * 98.4270% (1.00  10.0 10.00   4.03  55.47) = 100.000%  kept
        T HB2   ASN   35 - HA    LEU   40   9.21 +/- 0.74   0.077% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   35   8.31 +/- 0.88   0.157% *  0.0336% (0.34   1.0  1.00   0.02   1.16) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  12.91 +/- 0.46   0.010% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15   9.06 +/- 1.85   0.174% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  15.58 +/- 0.62   0.003% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.72 +/- 1.46   0.039% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  11.16 +/- 1.66   0.035% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  16.85 +/- 1.35   0.002% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  18.15 +/- 0.74   0.001% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  13.04 +/- 1.16   0.010% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  22.28 +/- 4.27   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  17.31 +/- 0.81   0.002% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.65 +/- 1.09   0.003% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  17.46 +/- 1.40   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  22.12 +/- 0.91   0.000% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  21.15 +/- 3.92   0.001% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  15.57 +/- 0.80   0.003% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  21.36 +/- 1.06   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  26.33 +/- 2.94   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  22.21 +/- 1.32   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 = 86.8:
    * O T QB    GLU-  36 - HA    GLU-  36   2.31 +/- 0.18  99.921% * 98.9106% (1.00  10.0 10.00   5.58  86.76) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  11.54 +/- 0.72   0.008% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36   8.87 +/- 1.67   0.068% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  13.64 +/- 0.79   0.003% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  25.32 +/- 1.71   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  33.67 +/- 1.73   0.000% *  0.0679% (0.69   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 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HG2   GLU-  36 - HA    GLU-  36   3.18 +/- 0.72  99.994% * 99.8378% (1.00  10.0 10.00   3.62  86.76) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  18.89 +/- 1.37   0.004% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  26.75 +/- 0.74   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  25.34 +/- 4.28   0.001% *  0.0175% (0.18   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 = 86.8:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.36 +/- 0.43  99.982% * 99.2256% (1.00  10.0 10.00   3.62  86.76) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  17.92 +/- 3.70   0.013% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  18.65 +/- 1.15   0.004% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  25.59 +/- 1.32   0.001% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  26.63 +/- 1.69   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  32.65 +/- 1.05   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  34.58 +/- 1.29   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HA    GLU-  36 - HG2   GLU-  36   3.18 +/- 0.72  99.996% * 99.7630% (1.00  10.0 10.00   3.62  86.76) = 100.000%  kept
          HA    ALA  124 - HG2   GLU-  36  24.77 +/- 3.41   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  22.28 +/- 2.12   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  27.59 +/- 2.35   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  31.33 +/- 2.27   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 = 86.8:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.44 +/- 0.08  99.943% * 98.9106% (1.00  10.0 10.00   4.29  86.76) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  10.00 +/- 1.10   0.026% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  10.46 +/- 1.59   0.024% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  12.34 +/- 1.07   0.007% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  23.84 +/- 2.16   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  32.90 +/- 1.92   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 = 86.8:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  99.999% * 99.2256% (1.00  10.0 10.00   3.00  86.76) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  16.27 +/- 3.67   0.001% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  17.46 +/- 1.41   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  24.10 +/- 1.85   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  26.53 +/- 1.63   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  31.98 +/- 1.60   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  33.67 +/- 1.21   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 = 86.8:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.36 +/- 0.43  99.981% * 99.6097% (1.00  10.0 10.00   3.62  86.76) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  17.92 +/- 3.70   0.013% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  25.31 +/- 3.43   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  28.19 +/- 2.04   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  22.76 +/- 1.83   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  31.97 +/- 1.65   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  21.09 +/- 1.71   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  27.42 +/- 2.66   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  32.14 +/- 3.24   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  31.25 +/- 1.96   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 = 86.8:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.33 +/- 0.10  99.953% * 99.4418% (1.00  10.0  1.00   4.29  86.76) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.23 +/- 1.21   0.018% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  11.03 +/- 1.75   0.015% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  12.57 +/- 1.37   0.005% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  14.83 +/- 3.38   0.004% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  18.51 +/- 3.90   0.003% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  26.93 +/- 3.46   0.000% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  24.34 +/- 1.66   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  20.44 +/- 4.01   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  33.61 +/- 1.81   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  37.14 +/- 3.37   0.000% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  22.55 +/- 3.15   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 0.01 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.8:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.999% * 99.6937% (1.00  10.0 10.00   3.00  86.76) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  16.27 +/- 3.67   0.001% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  19.86 +/- 1.33   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  26.32 +/- 1.52   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  25.71 +/- 4.05   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  28.40 +/- 2.61   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  25.72 +/- 1.74   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  33.22 +/- 4.45   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 = 26.5:
    * O T HB2   SER   37 - HA    SER   37   2.74 +/- 0.12  99.065% * 98.0025% (1.00  10.0 10.00   2.58  26.47) = 100.000%  kept
          HA    LYS+  33 - HA    SER   37   6.21 +/- 0.34   0.823% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    SER   13  13.44 +/- 2.33   0.014% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   37  10.38 +/- 0.80   0.037% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13  10.48 +/- 0.94   0.040% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  14.69 +/- 1.41   0.006% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.82 +/- 0.71   0.000% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  16.49 +/- 1.39   0.003% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  15.66 +/- 1.52   0.004% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  15.11 +/- 2.66   0.006% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  20.14 +/- 0.92   0.001% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  19.52 +/- 0.43   0.001% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  26.59 +/- 1.94   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  23.73 +/- 0.89   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  28.72 +/- 1.86   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 = 0.561, support = 2.21, residual support = 15.9:
      O T QB    SER   13 - HA    SER   13   2.43 +/- 0.12  75.267% * 28.4793% (0.35  10.0 10.00   1.93   7.55) =  56.119%  kept
    * O T HB3   SER   37 - HA    SER   37   2.95 +/- 0.14  24.356% * 68.8149% (0.84  10.0 10.00   2.58  26.47) =  43.880%  kept
          HB    THR   39 - HA    SER   37   6.23 +/- 0.53   0.316% *  0.0566% (0.69   1.0  1.00   0.02   2.97) =   0.000%
        T QB    SER   13 - HA    SER   37  13.81 +/- 3.09   0.007% *  0.5330% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.44 +/- 1.40   0.043% *  0.0682% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  13.55 +/- 2.53   0.005% *  0.3677% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.78 +/- 1.39   0.002% *  0.0815% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  14.58 +/- 2.07   0.002% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.23 +/- 0.65   0.000% *  0.6818% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  24.44 +/- 1.92   0.000% *  0.5281% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.46 +/- 0.74   0.001% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.26 +/- 0.63   0.000% *  0.0561% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.21 +/- 1.27   0.000% *  0.0822% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  30.45 +/- 2.40   0.000% *  0.0688% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  28.53 +/- 1.64   0.000% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  27.98 +/- 3.89   0.000% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  33.85 +/- 2.87   0.000% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  31.08 +/- 2.87   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 = 26.5:
    * O T HA    SER   37 - HB2   SER   37   2.74 +/- 0.12  99.771% * 98.1694% (1.00  10.0 10.00   2.58  26.47) = 100.000%  kept
        T HA    SER   13 - HB2   SER   37  13.44 +/- 2.33   0.014% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   SER   37   8.19 +/- 0.29   0.157% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   SER   37  10.74 +/- 1.28   0.043% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  13.06 +/- 0.51   0.009% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  14.90 +/- 1.06   0.005% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.82 +/- 0.71   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  23.58 +/- 0.79   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 = 26.5:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  97.810% * 98.8953% (0.84  10.0 10.00   2.00  26.47) =  99.998%  kept
          HB    THR   39 - HB2   SER   37   3.91 +/- 0.73   2.186% *  0.0813% (0.69   1.0  1.00   0.02   2.97) =   0.002%
        T QB    SER   13 - HB2   SER   37  12.65 +/- 2.81   0.003% *  0.7659% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  22.09 +/- 1.19   0.000% *  0.1181% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  28.76 +/- 2.56   0.000% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  26.90 +/- 3.84   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 = 0.564, support = 2.21, residual support = 15.6:
      O T HA    SER   13 - QB    SER   13   2.43 +/- 0.12  75.351% * 29.4827% (0.36  10.0 10.00   1.93   7.55) =  57.248%  kept
    * O T HA    SER   37 - HB3   SER   37   2.95 +/- 0.14  24.379% * 68.0513% (0.84  10.0 10.00   2.58  26.47) =  42.752%  kept
          HA    GLU-  15 - QB    SER   13   6.97 +/- 0.69   0.175% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  13.81 +/- 3.09   0.007% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.55 +/- 2.53   0.005% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.32 +/- 0.31   0.050% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.75 +/- 0.91   0.012% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  10.78 +/- 1.29   0.012% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  12.75 +/- 0.50   0.004% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.00 +/- 0.96   0.001% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.23 +/- 0.65   0.000% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  24.44 +/- 1.92   0.000% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.61 +/- 2.22   0.001% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.90 +/- 1.56   0.000% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  20.82 +/- 1.60   0.000% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.69 +/- 0.89   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 = 26.5:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.658% * 98.1382% (0.84  10.0 10.00   2.00  26.47) = 100.000%  kept
          HA    LYS+  33 - HB3   SER   37   4.77 +/- 0.61   0.322% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   37   8.46 +/- 0.89   0.010% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  12.65 +/- 2.81   0.003% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   9.34 +/- 0.75   0.005% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  14.28 +/- 1.81   0.001% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  12.65 +/- 1.36   0.001% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  14.39 +/- 2.83   0.001% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  24.65 +/- 1.98   0.000% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  25.57 +/- 1.42   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 = 219.5:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.90 +/- 0.16  98.845% * 99.6880% (1.00  10.0 10.00   6.58 219.50) =  99.999%  kept
        T HB2   LYS+  38 - HA    GLU- 100   6.47 +/- 0.82   1.075% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    LYS+  38  11.67 +/- 0.95   0.032% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.24 +/- 0.45   0.007% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  16.30 +/- 0.41   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.28 +/- 1.15   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.21 +/- 0.50   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.08 +/- 1.10   0.023% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  17.03 +/- 1.19   0.003% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  15.38 +/- 1.10   0.005% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  31.63 +/- 1.37   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.79 +/- 1.36   0.001% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.49 +/- 1.22   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  29.67 +/- 1.46   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 = 219.5:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.67 +/- 0.13  97.555% * 98.2125% (1.00  10.0 10.00   5.89 219.50) =  99.999%  kept
        T HB3   LYS+  38 - HA    GLU- 100   5.42 +/- 0.84   2.165% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    LYS+  38   7.92 +/- 0.42   0.156% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  12.48 +/- 0.87   0.011% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  15.40 +/- 1.25   0.003% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.18 +/- 0.73   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100   9.85 +/- 0.93   0.047% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  14.22 +/- 0.62   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.11 +/- 0.84   0.002% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  12.94 +/- 1.58   0.012% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  26.84 +/- 1.18   0.000% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.64 +/- 0.44   0.026% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.61 +/- 0.64   0.006% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  31.27 +/- 1.63   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  26.22 +/- 1.33   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.75 +/- 0.65   0.006% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.65 +/- 0.87   0.000% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  26.45 +/- 1.61   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  26.52 +/- 1.36   0.000% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  16.44 +/- 1.78   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  31.39 +/- 1.30   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  24.89 +/- 1.19   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  25.47 +/- 0.78   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  25.35 +/- 1.82   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  29.38 +/- 1.28   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  30.40 +/- 1.41   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 = 219.5:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.60 +/- 0.55  92.560% * 98.4430% (1.00  10.0 10.00   6.91 219.50) =  99.988%  kept
        T HG2   LYS+  99 - HA    LYS+  38   6.49 +/- 0.74   0.791% *  0.9649% (0.98   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  99 - HA    GLU- 100   4.80 +/- 0.31   4.611% *  0.0583% (0.06   1.0 10.00   0.02  38.17) =   0.003%
        T HG2   LYS+  38 - HA    GLU- 100   5.57 +/- 1.06   1.321% *  0.0595% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LYS+  38  10.41 +/- 0.46   0.038% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  10.99 +/- 1.34   0.043% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.23 +/- 1.36   0.564% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100   9.90 +/- 1.35   0.055% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  16.54 +/- 2.72   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  18.54 +/- 0.98   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  19.31 +/- 0.44   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  20.71 +/- 0.53   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  24.79 +/- 2.42   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  23.63 +/- 2.98   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  29.31 +/- 1.96   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  18.06 +/- 1.06   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  16.39 +/- 2.44   0.003% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  22.69 +/- 2.49   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  19.55 +/- 1.09   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.37 +/- 0.83   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  22.52 +/- 2.92   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  26.91 +/- 2.29   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 0.12 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 219.5:
    * O T HG3   LYS+  38 - HA    LYS+  38   2.85 +/- 0.62  76.046% * 98.9998% (1.00  10.0 10.00   6.65 219.50) =  99.985%  kept
          QB    ALA   34 - HA    LYS+  38   4.54 +/- 0.21   6.870% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.007%
        T HG3   LYS+  38 - HA    GLU- 100   5.30 +/- 1.61   2.997% *  0.0598% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - HA    LYS+  38   6.97 +/- 0.99   0.466% *  0.3716% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HA    LYS+  38   5.64 +/- 0.37   1.623% *  0.0888% (0.90   1.0  1.00   0.02  28.45) =   0.002%
        T HG3   LYS+  99 - HA    GLU- 100   5.35 +/- 0.63   2.883% *  0.0225% (0.02   1.0 10.00   0.02  38.17) =   0.001%
          QB    ALA   34 - HA    GLU- 100   4.87 +/- 1.00   8.536% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  38   8.93 +/- 1.26   0.100% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    GLU- 100   7.48 +/- 0.99   0.399% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  15.21 +/- 0.95   0.005% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  10.28 +/- 1.59   0.065% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  21.34 +/- 1.28   0.001% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  19.51 +/- 0.56   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  20.71 +/- 0.88   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  24.33 +/- 1.41   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  16.67 +/- 1.61   0.003% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  20.27 +/- 1.40   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  19.66 +/- 1.16   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  22.77 +/- 1.46   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  20.45 +/- 1.01   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 0.11 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 219.5:
    *   T QD    LYS+  38 - HA    LYS+  38   3.67 +/- 0.41  85.458% * 97.0123% (1.00 10.00   6.01 219.50) =  99.990%  kept
        T QD    LYS+  38 - HA    GLU- 100   5.25 +/- 0.92  13.096% *  0.0586% (0.06 10.00   0.02   0.02) =   0.009%
          QD    LYS+ 102 - HA    LYS+  38  11.17 +/- 1.75   0.172% *  0.0777% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    GLU- 100   7.90 +/- 1.13   1.221% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.19 +/- 1.12   0.004% *  0.8955% (0.92 10.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  23.16 +/- 3.51   0.002% *  0.9362% (0.97 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  20.52 +/- 0.97   0.004% *  0.3309% (0.34 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  18.27 +/- 1.67   0.007% *  0.0870% (0.90  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  21.72 +/- 3.52   0.004% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  20.81 +/- 2.71   0.004% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  20.98 +/- 1.39   0.003% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  30.83 +/- 1.56   0.000% *  0.2994% (0.31 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  20.22 +/- 0.96   0.004% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  16.44 +/- 1.79   0.014% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  27.18 +/- 0.82   0.001% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  19.91 +/- 2.52   0.005% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  27.52 +/- 0.76   0.001% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  28.56 +/- 1.74   0.000% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.47 +/- 0.48   0.001% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.39 +/- 0.48   0.001% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.21 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 219.5:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.90 +/- 0.16  98.923% * 99.6785% (1.00  10.0 10.00   6.58 219.50) =  99.998%  kept
        T HA    GLU- 100 - HB2   LYS+  38   6.47 +/- 0.82   1.076% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HB2   LYS+  38  21.09 +/- 0.63   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  26.98 +/- 4.00   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  29.00 +/- 1.16   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 = 5.44, residual support = 219.5:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.993% * 98.9214% (1.00  10.0 10.00   5.44 219.50) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   8.96 +/- 0.51   0.006% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  14.54 +/- 0.84   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  15.21 +/- 1.44   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  18.30 +/- 0.69   0.000% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  16.66 +/- 0.65   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  17.90 +/- 0.87   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  34.00 +/- 1.30   0.000% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  28.07 +/- 1.45   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  28.03 +/- 1.32   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  30.11 +/- 0.82   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  28.69 +/- 1.57   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  33.14 +/- 1.67   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 219.5:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.61 +/- 0.19  99.810% * 98.5858% (1.00  10.0 10.00   6.08 219.50) =  99.998%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   7.82 +/- 0.75   0.171% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB2   LYS+  38  12.94 +/- 0.40   0.007% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  13.58 +/- 1.36   0.006% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  16.37 +/- 2.93   0.004% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  19.85 +/- 1.06   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  21.38 +/- 0.50   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  22.76 +/- 0.53   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  27.09 +/- 2.43   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  26.15 +/- 3.00   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  31.30 +/- 2.02   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 = 5.82, residual support = 219.5:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.78 +/- 0.37  97.625% * 99.1122% (1.00  10.0 10.00   5.82 219.50) =  99.997%  kept
          QG2   THR   39 - HB2   LYS+  38   5.95 +/- 0.48   1.332% *  0.0889% (0.90   1.0  1.00   0.02  28.45) =   0.001%
        T HG3   LYS+  99 - HB2   LYS+  38   8.28 +/- 1.02   0.290% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HB2   LYS+  38   6.60 +/- 0.20   0.680% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HB2   LYS+  38  10.34 +/- 1.20   0.069% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  16.29 +/- 0.92   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  22.92 +/- 1.29   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  21.18 +/- 0.63   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  26.41 +/- 1.31   0.000% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  22.63 +/- 0.95   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 = 219.5:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.67 +/- 0.13  97.828% * 99.5407% (1.00  10.0 10.00   5.89 219.50) =  99.995%  kept
        T HA    GLU- 100 - HB3   LYS+  38   5.42 +/- 0.84   2.171% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL   24 - HB3   LYS+  38  21.13 +/- 0.81   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  28.20 +/- 1.22   0.000% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  26.61 +/- 3.96   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 = 5.44, residual support = 219.5:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.998% * 99.2933% (1.00  10.0 10.00   5.44 219.50) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  11.75 +/- 1.10   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.77 +/- 0.48   0.000% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  16.62 +/- 0.56   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  17.81 +/- 1.15   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  33.54 +/- 1.27   0.000% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.69 +/- 0.52   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 = 219.5:
    * O T HG2   LYS+  38 - HB3   LYS+  38   3.00 +/- 0.07  97.949% * 98.5858% (1.00  10.0 10.00   5.63 219.50) =  99.980%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   6.17 +/- 0.75   1.982% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.020%
          HB2   LEU   31 - HB3   LYS+  38  13.00 +/- 0.45   0.015% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  12.49 +/- 1.41   0.034% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  15.34 +/- 2.89   0.016% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  18.97 +/- 1.04   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.72 +/- 0.47   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  22.31 +/- 0.50   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  26.44 +/- 2.39   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  25.95 +/- 2.93   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  29.97 +/- 2.08   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 = 219.5:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.64 +/- 0.16  97.901% * 98.2829% (1.00  10.0 10.00   5.41 219.50) =  99.996%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   6.64 +/- 1.00   0.602% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HB3   LYS+  38   5.86 +/- 0.37   0.951% *  0.0881% (0.90   1.0  1.00   0.02  28.45) =   0.001%
          QB    ALA   34 - HB3   LYS+  38   6.44 +/- 0.21   0.511% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   LYS+  38  10.35 +/- 1.24   0.032% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  22.16 +/- 1.23   0.000% *  0.9297% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  16.56 +/- 0.94   0.002% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  21.45 +/- 0.56   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  25.80 +/- 1.38   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  22.31 +/- 1.00   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 = 219.5:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.26 +/- 0.19  99.991% * 98.0597% (1.00  10.0 10.00   4.63 219.50) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  11.89 +/- 1.94   0.007% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  20.30 +/- 1.26   0.000% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  22.02 +/- 0.98   0.000% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  18.06 +/- 1.85   0.001% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  20.00 +/- 2.88   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  25.46 +/- 3.48   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  31.42 +/- 1.72   0.000% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.40 +/- 0.86   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  28.95 +/- 0.77   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 219.5:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.60 +/- 0.55  93.218% * 99.3217% (1.00  10.0 10.00   6.91 219.50) =  99.991%  kept
        T HA    GLU- 100 - HG2   LYS+  38   5.57 +/- 1.06   1.328% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLU- 100 - HG2   LYS+  99   4.80 +/- 0.31   4.654% *  0.0603% (0.06   1.0 10.00   0.02  38.17) =   0.003%
        T HA    LYS+  38 - HG2   LYS+  99   6.49 +/- 0.74   0.798% *  0.2707% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HG2   LYS+  38  20.54 +/- 0.85   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  20.51 +/- 1.48   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  26.23 +/- 3.94   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  24.42 +/- 3.87   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  29.67 +/- 1.16   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.80 +/- 1.26   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 = 6.08, residual support = 219.5:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.61 +/- 0.19  99.746% * 99.4277% (1.00  10.0 10.00   6.08 219.50) = 100.000%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   7.82 +/- 0.75   0.171% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99   9.78 +/- 1.16   0.068% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.57 +/- 1.09   0.008% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.44 +/- 0.49   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  17.52 +/- 0.58   0.001% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  18.66 +/- 1.54   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.66 +/- 0.59   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  20.41 +/- 0.99   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.66 +/- 0.87   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  18.19 +/- 1.11   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  23.48 +/- 0.87   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  33.84 +/- 1.31   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  30.03 +/- 1.24   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 = 219.5:
    * O T HB3   LYS+  38 - HG2   LYS+  38   3.00 +/- 0.07  97.680% * 98.9095% (1.00  10.0 10.00   5.63 219.50) =  99.994%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   6.17 +/- 0.75   1.977% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.006%
          QB    LYS+  33 - HG2   LYS+  38   9.08 +/- 0.38   0.135% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  14.36 +/- 0.84   0.009% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.31 +/- 0.58   0.064% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.74 +/- 0.68   0.051% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.45 +/- 0.65   0.020% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  12.18 +/- 0.63   0.024% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  15.21 +/- 1.26   0.007% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.03 +/- 0.78   0.002% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  15.92 +/- 0.94   0.005% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  13.40 +/- 1.98   0.019% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  16.71 +/- 1.34   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  18.03 +/- 0.85   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  28.46 +/- 1.27   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.02 +/- 1.05   0.001% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  29.90 +/- 0.75   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  28.26 +/- 1.58   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  28.89 +/- 1.31   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  24.88 +/- 0.56   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  24.17 +/- 1.20   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  26.75 +/- 1.53   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  33.59 +/- 1.18   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  33.50 +/- 1.57   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  29.79 +/- 1.11   0.000% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  29.29 +/- 1.32   0.000% *  0.0075% (0.08   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 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 = 215.0:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.950% * 89.3422% (1.00  10.0 10.00   6.44 219.50) =  90.720%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.950% *  9.1383% (0.10  10.0 10.00   6.55 171.16) =   9.279%  kept
        T HG3   LYS+  38 - HG2   LYS+  99   7.23 +/- 1.35   0.024% *  0.2435% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   8.52 +/- 1.00   0.005% *  0.3353% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  38   6.46 +/- 0.34   0.021% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   6.94 +/- 0.69   0.018% *  0.0801% (0.90   1.0  1.00   0.02  28.45) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   6.92 +/- 0.65   0.016% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   7.13 +/- 0.72   0.014% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  10.82 +/- 1.31   0.001% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  10.96 +/- 1.30   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  16.96 +/- 1.19   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  22.90 +/- 0.97   0.000% *  0.3048% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  20.44 +/- 0.98   0.000% *  0.0831% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  17.22 +/- 1.14   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  23.23 +/- 1.32   0.000% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  18.90 +/- 1.21   0.000% *  0.0230% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  20.92 +/- 0.62   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  26.19 +/- 1.45   0.000% *  0.0801% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  22.76 +/- 1.56   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  21.53 +/- 0.81   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 219.5:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.44 +/- 0.17  99.292% * 96.4250% (1.00  10.0 10.00   5.75 219.50) =  99.998%  kept
        T QD    LYS+  38 - HG2   LYS+  99   6.23 +/- 0.83   0.491% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   LYS+  99   8.50 +/- 1.84   0.192% *  0.2104% (0.22   1.0 10.00   0.02   1.48) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  12.08 +/- 2.16   0.012% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  12.69 +/- 2.11   0.008% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.71 +/- 1.09   0.000% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  19.14 +/- 1.14   0.001% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  22.73 +/- 1.01   0.000% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  15.77 +/- 2.53   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  20.02 +/- 1.90   0.000% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  20.04 +/- 1.08   0.000% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  22.31 +/- 2.77   0.000% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  25.18 +/- 3.42   0.000% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  26.09 +/- 1.98   0.000% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  32.92 +/- 1.69   0.000% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  23.43 +/- 3.42   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  29.46 +/- 0.77   0.000% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.23 +/- 0.72   0.000% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  29.78 +/- 0.70   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.58 +/- 0.60   0.000% *  0.0059% (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 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 219.5:
    * O T HA    LYS+  38 - HG3   LYS+  38   2.85 +/- 0.62  91.050% * 99.5416% (1.00  10.0 10.00   6.65 219.50) =  99.990%  kept
        T HA    GLU- 100 - HG3   LYS+  38   5.30 +/- 1.61   3.411% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.008%
        T HA    GLU- 100 - HG3   LYS+  99   5.35 +/- 0.63   4.868% *  0.0231% (0.02   1.0 10.00   0.02  38.17) =   0.001%
        T HA    LYS+  38 - HG3   LYS+  99   6.97 +/- 0.99   0.668% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  21.03 +/- 0.96   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  20.50 +/- 1.30   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  26.50 +/- 4.09   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  29.47 +/- 1.14   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  24.28 +/- 3.54   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  24.43 +/- 1.77   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 0.04 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.82, residual support = 219.5:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.78 +/- 0.37  99.522% * 99.6340% (1.00  10.0 10.00   5.82 219.50) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   8.28 +/- 1.02   0.299% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99   9.52 +/- 1.47   0.154% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  13.31 +/- 1.19   0.013% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  18.31 +/- 0.43   0.002% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.24 +/- 0.43   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  18.83 +/- 1.68   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  22.36 +/- 0.70   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  20.56 +/- 0.97   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  18.06 +/- 1.47   0.002% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  18.81 +/- 1.14   0.001% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  33.88 +/- 1.52   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  23.55 +/- 1.03   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  29.76 +/- 0.89   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 = 219.5:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.64 +/- 0.16  99.226% * 98.2474% (1.00  10.0 10.00   5.41 219.50) =  99.999%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   6.64 +/- 1.00   0.610% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG3   LYS+  38   9.75 +/- 0.45   0.043% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  14.90 +/- 0.87   0.003% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.32 +/- 0.62   0.034% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.18 +/- 0.76   0.039% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.21 +/- 0.60   0.011% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  17.67 +/- 1.36   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  28.22 +/- 1.50   0.000% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  15.50 +/- 1.61   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  16.37 +/- 1.25   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  12.36 +/- 0.93   0.010% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  17.45 +/- 1.36   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  15.27 +/- 1.53   0.004% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  22.63 +/- 1.57   0.000% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  13.16 +/- 2.12   0.011% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  28.66 +/- 1.38   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  29.76 +/- 1.42   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  28.55 +/- 1.79   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  23.79 +/- 1.83   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.57 +/- 0.47   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  33.62 +/- 1.59   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  33.45 +/- 1.72   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  26.57 +/- 1.11   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  29.54 +/- 0.92   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  28.94 +/- 1.85   0.000% *  0.0029% (0.03   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 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.45, residual support = 215.0:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.981% * 89.3736% (1.00  10.0 10.00   6.44 219.50) =  90.720%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.981% *  9.1415% (0.10  10.0 10.00   6.55 171.16) =   9.279%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   7.23 +/- 1.35   0.024% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.52 +/- 1.00   0.005% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.67 +/- 0.89   0.000% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.86 +/- 2.22   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.53 +/- 0.97   0.006% *  0.0014% (0.02   1.0  1.00   0.02  17.41) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  16.75 +/- 2.70   0.000% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  12.53 +/- 2.44   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.32 +/- 0.87   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.34 +/- 1.32   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.18 +/- 2.36   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.36 +/- 1.28   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.58 +/- 0.90   0.000% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.68 +/- 0.79   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  26.53 +/- 2.45   0.000% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  25.99 +/- 3.07   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.45 +/- 1.01   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.94 +/- 2.04   0.000% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.69 +/- 0.71   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  23.09 +/- 2.23   0.000% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  24.16 +/- 2.42   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 = 219.5:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.32 +/- 0.15  99.576% * 97.6899% (1.00  10.0 10.00   5.42 219.50) = 100.000%  kept
        T QD    LYS+  38 - HG3   LYS+  99   6.81 +/- 0.95   0.249% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  99   8.58 +/- 1.83   0.150% *  0.0816% (0.08   1.0 10.00   0.02   1.48) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  11.65 +/- 2.19   0.012% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  21.61 +/- 1.25   0.000% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  12.23 +/- 2.11   0.008% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  18.90 +/- 1.82   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  22.85 +/- 1.34   0.000% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  19.35 +/- 1.70   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  15.34 +/- 2.67   0.003% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  21.63 +/- 2.51   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.82 +/- 1.34   0.000% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  25.47 +/- 3.61   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  32.43 +/- 1.73   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  25.66 +/- 1.98   0.000% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.26 +/- 1.35   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  23.29 +/- 3.08   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.87 +/- 1.09   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.61 +/- 1.48   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.25 +/- 0.87   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 = 219.4:
    *   T HA    LYS+  38 - QD    LYS+  38   3.67 +/- 0.41  86.180% * 98.6212% (1.00 10.00   6.01 219.50) =  99.966%  kept
        T HA    GLU- 100 - QD    LYS+  38   5.25 +/- 0.92  13.219% *  0.2196% (0.22 10.00   0.02   0.02) =   0.034%
        T HD2   PRO   58 - QD    LYS+  65  10.73 +/- 1.49   0.259% *  0.0278% (0.03 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  11.49 +/- 1.45   0.165% *  0.0334% (0.03 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  12.17 +/- 1.17   0.093% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  15.58 +/- 1.49   0.022% *  0.0428% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  20.52 +/- 0.97   0.004% *  0.2163% (0.22 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.19 +/- 1.12   0.004% *  0.1802% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  24.77 +/- 3.51   0.001% *  0.1952% (0.20 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  20.08 +/- 0.97   0.004% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  20.22 +/- 0.96   0.004% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  20.98 +/- 1.39   0.003% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  26.91 +/- 1.18   0.001% *  0.1522% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  24.91 +/- 1.72   0.001% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.12 +/- 1.70   0.035% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  20.86 +/- 1.57   0.003% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  30.83 +/- 1.56   0.000% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  28.56 +/- 1.74   0.000% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  27.65 +/- 1.69   0.001% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  25.11 +/- 2.65   0.001% *  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 = 5.07, residual support = 219.5:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.70 +/- 0.39  94.175% * 99.6020% (1.00  10.0   5.07 219.50) = 100.000%  kept
          QG    GLN   17 - QD    LYS+  65   6.34 +/- 2.21   5.652% *  0.0045% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  12.32 +/- 1.04   0.024% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74  10.53 +/- 1.62   0.070% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.62 +/- 1.22   0.045% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.74 +/- 0.53   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  15.90 +/- 0.51   0.004% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  17.56 +/- 1.20   0.002% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  13.31 +/- 1.29   0.011% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  17.24 +/- 0.70   0.002% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  16.74 +/- 1.45   0.003% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  16.00 +/- 0.96   0.003% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  21.35 +/- 0.52   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.72 +/- 0.72   0.002% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.62 +/- 1.33   0.001% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  22.39 +/- 1.00   0.000% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  22.85 +/- 1.83   0.000% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  19.11 +/- 1.81   0.001% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  21.41 +/- 1.99   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  31.19 +/- 1.18   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  23.23 +/- 1.66   0.000% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  25.01 +/- 1.66   0.000% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.87 +/- 1.51   0.000% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  25.18 +/- 1.59   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  32.75 +/- 1.66   0.000% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  34.04 +/- 1.46   0.000% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  33.15 +/- 1.63   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  33.67 +/- 1.17   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 = 219.5:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.26 +/- 0.19  99.760% * 98.4611% (1.00  10.0 10.00   4.63 219.50) = 100.000%  kept
          HB3   PRO   58 - QD    LYS+  65   8.33 +/- 1.51   0.096% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  38   9.88 +/- 0.41   0.017% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  11.27 +/- 1.43   0.012% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  12.60 +/- 1.30   0.004% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  10.57 +/- 2.02   0.023% *  0.0072% (0.07   1.0  1.00   0.02   2.19) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  14.50 +/- 1.02   0.002% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  14.62 +/- 0.94   0.002% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  11.71 +/- 0.86   0.007% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.74 +/- 1.33   0.026% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  12.48 +/- 1.53   0.006% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  13.61 +/- 1.73   0.003% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  12.05 +/- 1.88   0.009% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  12.31 +/- 1.88   0.008% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  16.18 +/- 0.77   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  14.11 +/- 0.93   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  13.86 +/- 1.34   0.002% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.30 +/- 1.26   0.000% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  13.41 +/- 1.16   0.003% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  14.62 +/- 1.18   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  22.02 +/- 0.98   0.000% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.70 +/- 0.97   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.28 +/- 1.41   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  17.27 +/- 1.57   0.001% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  15.60 +/- 2.09   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  16.89 +/- 1.39   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  16.99 +/- 1.15   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.26 +/- 1.27   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  16.48 +/- 1.33   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  16.12 +/- 2.00   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  25.78 +/- 1.27   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  16.93 +/- 1.41   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  15.64 +/- 2.04   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  20.75 +/- 1.56   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  26.12 +/- 1.24   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  27.33 +/- 0.76   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  17.56 +/- 1.39   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  26.54 +/- 1.37   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  16.38 +/- 1.86   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  19.11 +/- 0.86   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  19.15 +/- 1.79   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  31.42 +/- 1.72   0.000% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  22.66 +/- 1.40   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  30.96 +/- 1.00   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  25.23 +/- 1.65   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  22.36 +/- 1.08   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  30.70 +/- 1.39   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  23.59 +/- 1.44   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  20.80 +/- 1.67   0.000% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  28.06 +/- 1.27   0.000% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  25.28 +/- 2.60   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.51 +/- 1.31   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 = 0.983, support = 5.76, residual support = 221.2:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.44 +/- 0.17  66.490% * 91.2181% (1.00  10.0 10.00   5.75 219.50) =  98.173%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.96 +/- 0.09  20.470% *  5.4974% (0.06  10.0 10.00   6.21 315.30) =   1.821%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.23 +/- 0.83   0.296% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HD2   LYS+  74   4.47 +/- 1.28  12.543% *  0.0068% (0.07   1.0  1.00   0.02   6.12) =   0.001%
          QG2   THR   77 - HD2   LYS+  74   7.57 +/- 1.17   0.093% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.30 +/- 0.80   0.051% *  0.0075% (0.08   1.0  1.00   0.02   1.20) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.60 +/- 0.80   0.004% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74   9.94 +/- 1.12   0.018% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.14 +/- 1.35   0.008% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  14.53 +/- 2.50   0.004% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.14 +/- 1.14   0.000% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  12.37 +/- 1.37   0.004% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  20.04 +/- 1.08   0.000% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  19.45 +/- 1.41   0.000% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.79 +/- 1.48   0.000% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.42 +/- 1.24   0.004% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.94 +/- 2.15   0.000% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.71 +/- 1.09   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  22.73 +/- 1.01   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.33 +/- 1.04   0.001% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.67 +/- 1.06   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  16.19 +/- 1.30   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.93 +/- 1.45   0.004% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.80 +/- 1.11   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  21.11 +/- 0.63   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  20.16 +/- 0.66   0.000% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  24.39 +/- 2.15   0.000% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.76 +/- 1.40   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  16.95 +/- 2.04   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  24.40 +/- 2.62   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.62 +/- 1.18   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  26.09 +/- 1.98   0.000% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.69 +/- 1.96   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.60 +/- 1.35   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  17.15 +/- 1.92   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  22.98 +/- 1.47   0.000% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  22.24 +/- 1.60   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  19.87 +/- 1.32   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.55 +/- 1.28   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.92 +/- 1.69   0.000% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.81 +/- 1.18   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  25.45 +/- 2.26   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.50 +/- 1.82   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.59 +/- 1.75   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 = 0.974, support = 5.43, residual support = 218.6:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.32 +/- 0.15  71.441% * 91.1914% (1.00  10.0 10.00   5.42 219.50) =  97.159%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.76 +/- 0.22  27.918% *  6.8213% (0.07  10.0 10.00   5.54 187.42) =   2.840%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.81 +/- 0.95   0.166% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD    LYS+  38   6.84 +/- 0.36   0.122% *  0.0818% (0.90   1.0  1.00   0.02  28.45) =   0.000%
          QB    ALA   34 - QD    LYS+  38   7.01 +/- 0.47   0.116% *  0.0730% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   8.39 +/- 1.85   0.090% *  0.0189% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.41 +/- 1.81   0.060% *  0.0065% (0.07   1.0  1.00   0.02   2.19) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.37 +/- 2.04   0.006% *  0.0568% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.67 +/- 1.32   0.021% *  0.0113% (0.12   1.0  1.00   0.02   8.39) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.01 +/- 1.01   0.007% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.28 +/- 1.35   0.010% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  11.58 +/- 1.21   0.006% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.46 +/- 1.79   0.008% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  11.22 +/- 1.06   0.007% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.02 +/- 0.95   0.004% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.82 +/- 0.87   0.003% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.43 +/- 1.13   0.002% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.65 +/- 1.05   0.000% *  0.3111% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.60 +/- 0.96   0.001% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.71 +/- 1.34   0.004% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  21.61 +/- 1.25   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.90 +/- 1.82   0.000% *  0.0625% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.85 +/- 1.34   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  14.69 +/- 1.04   0.001% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.82 +/- 1.34   0.000% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  13.95 +/- 1.73   0.002% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.12 +/- 1.15   0.000% *  0.0863% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.92 +/- 1.57   0.002% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  20.25 +/- 0.66   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  24.13 +/- 1.36   0.000% *  0.0818% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  18.34 +/- 1.27   0.000% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.88 +/- 1.52   0.000% *  0.0234% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  18.02 +/- 1.39   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.66 +/- 1.98   0.000% *  0.0258% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  32.43 +/- 1.73   0.000% *  0.0686% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  23.48 +/- 1.21   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  23.15 +/- 1.26   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  26.03 +/- 1.45   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.86 +/- 1.43   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  27.16 +/- 1.35   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 = 38.3:
    * O T HB    THR   39 - HA    THR   39   2.95 +/- 0.15  96.631% * 98.6574% (1.00  10.0 10.00   3.00  38.28) =  99.997%  kept
          HB3   SER   37 - HA    THR   39   5.24 +/- 0.30   3.269% *  0.0952% (0.97   1.0  1.00   0.02   2.97) =   0.003%
        T HB    THR   39 - HA    ILE  103  12.54 +/- 0.50   0.018% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR   39  14.86 +/- 2.56   0.011% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  11.45 +/- 0.73   0.031% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.19 +/- 1.53   0.024% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  15.41 +/- 0.64   0.005% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  18.12 +/- 1.41   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  18.83 +/- 2.16   0.002% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  15.98 +/- 0.63   0.004% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  25.15 +/- 1.26   0.000% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  21.89 +/- 3.74   0.001% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  30.53 +/- 1.06   0.000% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  26.47 +/- 3.39   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  26.60 +/- 2.11   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.99 +/- 2.04   0.000% *  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 = 38.3:
    * O T QG2   THR   39 - HA    THR   39   2.25 +/- 0.34  95.946% * 97.0314% (0.87  10.0 10.00   3.00  38.28) =  99.997%  kept
          QB    ALA   34 - HA    THR   39   4.72 +/- 0.33   1.533% *  0.0934% (0.84   1.0  1.00   0.02   8.94) =   0.002%
          HG3   LYS+  38 - HA    THR   39   6.24 +/- 0.95   0.833% *  0.1116% (1.00   1.0  1.00   0.02  28.45) =   0.001%
          HG3   LYS+  99 - HA    THR   39   6.39 +/- 1.30   1.019% *  0.0382% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    THR   39   6.47 +/- 1.28   0.515% *  0.0311% (0.28   1.0  1.00   0.02   0.23) =   0.000%
        T QG2   THR   39 - HA    ILE  103  11.17 +/- 0.47   0.012% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   8.74 +/- 0.40   0.038% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   7.79 +/- 0.54   0.085% *  0.0126% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  17.51 +/- 1.89   0.001% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  12.52 +/- 1.03   0.005% *  0.0589% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  19.16 +/- 0.62   0.000% *  0.5445% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  13.47 +/- 1.52   0.005% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  23.14 +/- 1.08   0.000% *  0.9703% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  19.44 +/- 1.37   0.000% *  0.1799% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  15.43 +/- 0.98   0.001% *  0.0357% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  18.85 +/- 1.28   0.000% *  0.1080% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  13.25 +/- 1.07   0.003% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  18.21 +/- 1.12   0.000% *  0.0345% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  18.32 +/- 0.92   0.000% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.73 +/- 0.89   0.001% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.3:
    * O T HA    THR   39 - HB    THR   39   2.95 +/- 0.15  99.971% * 98.7925% (1.00  10.0 10.00   3.00  38.28) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  12.54 +/- 0.50   0.018% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  14.99 +/- 0.70   0.006% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  19.48 +/- 3.04   0.002% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  20.86 +/- 0.99   0.001% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  24.05 +/- 0.95   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  23.67 +/- 0.85   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  27.26 +/- 2.41   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  30.03 +/- 1.67   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 = 0.864, support = 2.95, residual support = 34.8:
    * O T QG2   THR   39 - HB    THR   39   2.16 +/- 0.02  80.788% * 50.3520% (0.87  10.0 10.00   2.97  38.28) =  87.968%  kept
        T QB    ALA   34 - HB    THR   39   3.27 +/- 0.66  11.472% * 48.4853% (0.84   1.0 10.00   2.82   8.94) =  12.029%  kept
          HG    LEU   71 - HB    THR   39   4.00 +/- 1.16   7.638% *  0.0161% (0.28   1.0  1.00   0.02   0.23) =   0.003%
        T HG3   LYS+  99 - HB    THR   39   8.46 +/- 1.26   0.032% *  0.1980% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    THR   39   7.77 +/- 0.83   0.059% *  0.0579% (1.00   1.0  1.00   0.02  28.45) =   0.000%
          HG13  ILE   19 - HB    THR   39  10.03 +/- 1.07   0.010% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  16.90 +/- 0.79   0.000% *  0.2825% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  21.93 +/- 0.90   0.000% *  0.5035% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  18.10 +/- 1.54   0.000% *  0.0560% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.18 +/- 1.22   0.001% *  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 = 38.3:
    * O T HA    THR   39 - QG2   THR   39   2.25 +/- 0.34  96.177% * 96.3159% (0.87  10.0 10.00   3.00  38.28) =  99.999%  kept
          HB    THR   77 - QB    ALA   91   5.11 +/- 1.75   2.903% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   23   6.17 +/- 1.46   0.686% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   39  11.17 +/- 0.47   0.013% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  11.10 +/- 1.20   0.013% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA   91   8.80 +/- 2.21   0.063% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91   8.55 +/- 0.70   0.067% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91   9.97 +/- 0.94   0.038% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  10.97 +/- 2.26   0.011% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  17.51 +/- 1.89   0.001% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  11.59 +/- 1.15   0.009% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  12.85 +/- 0.43   0.005% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  19.16 +/- 0.62   0.000% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  19.44 +/- 1.37   0.000% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  14.11 +/- 1.94   0.003% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  15.72 +/- 2.35   0.002% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  13.45 +/- 1.12   0.003% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  23.14 +/- 1.08   0.000% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  17.12 +/- 0.82   0.001% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  17.31 +/- 1.57   0.001% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  20.88 +/- 0.91   0.000% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  22.14 +/- 3.40   0.001% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  19.63 +/- 1.77   0.000% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.46 +/- 0.64   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  23.75 +/- 2.06   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  25.10 +/- 1.24   0.000% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  32.74 +/- 2.50   0.000% *  0.0221% (0.20   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 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.97, residual support = 38.3:
    * O T HB    THR   39 - QG2   THR   39   2.16 +/- 0.02  91.772% * 97.9974% (0.87  10.0 10.00   2.97  38.28) =  99.993%  kept
          HB3   SER   37 - QG2   THR   39   3.98 +/- 0.65   5.574% *  0.0946% (0.84   1.0  1.00   0.02   2.97) =   0.006%
          HA    ILE   89 - QB    ALA   91   5.04 +/- 1.23   2.140% *  0.0447% (0.40   1.0  1.00   0.02   7.84) =   0.001%
          HD3   PRO   52 - QB    ALA   91   7.42 +/- 2.28   0.402% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   23   9.06 +/- 2.62   0.051% *  0.0459% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   39  10.65 +/- 1.97   0.013% *  0.0978% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   8.51 +/- 1.09   0.032% *  0.0244% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  16.90 +/- 0.79   0.000% *  0.5499% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  12.38 +/- 0.87   0.003% *  0.0387% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23  10.47 +/- 0.61   0.008% *  0.0137% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.15 +/- 1.02   0.001% *  0.0634% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  15.24 +/- 1.48   0.001% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  21.93 +/- 0.90   0.000% *  0.4628% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  15.03 +/- 1.64   0.001% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  17.46 +/- 1.83   0.001% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  17.36 +/- 0.82   0.000% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  21.49 +/- 2.71   0.000% *  0.0819% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  21.80 +/- 2.06   0.000% *  0.0946% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  19.31 +/- 1.80   0.000% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  22.11 +/- 1.16   0.000% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  24.30 +/- 1.05   0.000% *  0.0447% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  19.64 +/- 0.88   0.000% *  0.0115% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  25.16 +/- 1.47   0.000% *  0.0462% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  24.51 +/- 0.90   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 = 5.13, residual support = 102.7:
    * O T HB2   LEU   40 - HA    LEU   40   2.52 +/- 0.23  95.818% * 97.9662% (1.00  10.0 10.00   5.13 102.67) =  99.998%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.71 +/- 0.63   3.944% *  0.0386% (0.39   1.0  1.00   0.02   1.11) =   0.002%
        T HB2   LEU   40 - HA    ASN   35   9.49 +/- 0.44   0.038% *  0.3673% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    GLU-  15   9.56 +/- 1.66   0.082% *  0.1222% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  13.47 +/- 1.52   0.006% *  0.7922% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40  10.51 +/- 1.74   0.027% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU-  15   8.99 +/- 0.27   0.054% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.07 +/- 0.73   0.016% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  14.88 +/- 1.54   0.003% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  14.26 +/- 1.53   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  16.46 +/- 1.10   0.001% *  0.0567% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  15.28 +/- 0.99   0.002% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  17.40 +/- 1.33   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  18.89 +/- 1.15   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  17.94 +/- 1.43   0.001% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  19.12 +/- 1.19   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  25.21 +/- 1.99   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  26.39 +/- 1.67   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  24.64 +/- 3.35   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  23.31 +/- 4.11   0.000% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  31.69 +/- 2.00   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 = 0.89, support = 5.36, residual support = 102.7:
    * O T HB3   LEU   40 - HA    LEU   40   2.86 +/- 0.30  63.430% * 70.6117% (1.00  10.0 10.00   5.38 102.67) =  82.392%  kept
      O T HG    LEU   40 - HA    LEU   40   3.20 +/- 0.44  36.118% * 26.5014% (0.38  10.0 10.00   5.26 102.67) =  17.608%  kept
        T HB3   LEU   40 - HA    ASN   35   9.74 +/- 0.52   0.042% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU-  15  12.66 +/- 2.06   0.019% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU-  15  10.21 +/- 3.25   0.214% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.37 +/- 0.82   0.028% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LEU   40  10.80 +/- 1.50   0.035% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  19.01 +/- 2.12   0.001% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  10.74 +/- 1.25   0.033% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  14.36 +/- 1.45   0.006% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  10.98 +/- 0.52   0.023% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  12.62 +/- 1.24   0.011% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  18.36 +/- 1.99   0.001% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.98 +/- 1.32   0.007% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  13.73 +/- 2.33   0.010% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.58 +/- 0.59   0.006% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  16.03 +/- 0.81   0.002% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  22.43 +/- 1.70   0.000% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  13.20 +/- 0.33   0.007% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  19.70 +/- 1.30   0.001% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  25.80 +/- 2.28   0.000% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.71 +/- 1.06   0.002% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.61 +/- 1.37   0.002% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  22.56 +/- 1.46   0.000% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  25.06 +/- 2.06   0.000% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  20.37 +/- 1.61   0.001% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  19.41 +/- 0.99   0.001% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  22.67 +/- 2.29   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  20.67 +/- 2.31   0.001% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  22.16 +/- 1.01   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 = 5.13, residual support = 102.7:
    * O T HA    LEU   40 - HB2   LEU   40   2.52 +/- 0.23  90.783% * 98.0349% (1.00  10.0 10.00   5.13 102.67) =  99.997%  kept
          HA    LYS+  99 - HB2   LEU   40   4.05 +/- 0.73   8.313% *  0.0244% (0.25   1.0  1.00   0.02  12.50) =   0.002%
        T HA    ASN   35 - HB2   LEU   40   9.49 +/- 0.44   0.037% *  0.3679% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   67   9.56 +/- 1.66   0.080% *  0.0855% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   40  13.47 +/- 1.52   0.006% *  0.9274% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  11.92 +/- 2.90   0.076% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67  10.51 +/- 1.74   0.027% *  0.0904% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   7.43 +/- 1.57   0.550% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.72 +/- 0.17   0.018% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  10.34 +/- 2.00   0.078% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  14.20 +/- 1.47   0.004% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.26 +/- 0.63   0.009% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  18.60 +/- 1.04   0.001% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  18.87 +/- 1.98   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  16.46 +/- 1.10   0.001% *  0.0339% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  12.38 +/- 1.90   0.010% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  20.17 +/- 1.33   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  15.81 +/- 1.86   0.002% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  20.40 +/- 0.34   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  15.69 +/- 1.57   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.59 +/- 0.88   0.002% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  17.84 +/- 1.03   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 = 0.976, support = 4.22, residual support = 102.3:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  84.589% * 69.9238% (1.00  10.0 10.00   4.22 102.67) =  96.378%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.69 +/- 0.24   7.540% * 26.2432% (0.38  10.0  1.00   4.73 102.67) =   3.224%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.63 +/- 0.15   7.791% *  3.1374% (0.04  10.0  1.00   5.13  58.98) =   0.398%
        T HB3   LEU   40 - HB2   LEU   67   8.11 +/- 2.38   0.026% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.63 +/- 2.23   0.018% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40   9.04 +/- 1.76   0.010% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  12.83 +/- 1.57   0.001% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  12.41 +/- 2.59   0.002% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  17.35 +/- 2.10   0.000% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.37 +/- 0.64   0.018% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.76 +/- 1.78   0.000% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.72 +/- 2.17   0.000% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  12.01 +/- 1.73   0.001% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  17.88 +/- 2.14   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  16.21 +/- 0.99   0.000% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  14.62 +/- 0.58   0.000% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.27 +/- 1.11   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  12.78 +/- 1.50   0.001% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  13.86 +/- 3.08   0.001% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  14.50 +/- 0.90   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 = 5.38, residual support = 102.7:
    * O T HA    LEU   40 - HB3   LEU   40   2.86 +/- 0.30  87.379% * 97.9684% (1.00  10.0 10.00   5.38 102.67) =  99.997%  kept
          HA    LYS+  99 - HB3   LEU   40   4.67 +/- 1.08   9.115% *  0.0244% (0.25   1.0  1.00   0.02  12.50) =   0.003%
        T HA    GLU-  15 - HB3   LEU   40  12.66 +/- 2.06   0.027% *  0.9267% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU   40   9.74 +/- 0.52   0.063% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   6.16 +/- 1.41   3.092% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU   40  11.99 +/- 2.75   0.143% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.87 +/- 0.18   0.034% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.63 +/- 1.40   0.089% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  13.24 +/- 2.04   0.020% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  18.25 +/- 2.09   0.002% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  17.74 +/- 1.00   0.002% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  18.36 +/- 1.99   0.002% *  0.1149% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  12.21 +/- 0.87   0.018% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  22.43 +/- 1.70   0.000% *  0.1087% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.75 +/- 0.79   0.009% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.54 +/- 0.62   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  19.44 +/- 1.16   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  25.06 +/- 2.06   0.000% *  0.0431% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  18.01 +/- 1.71   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  18.79 +/- 2.21   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  29.07 +/- 1.90   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  27.16 +/- 1.87   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 = 102.7:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.963% * 99.4293% (1.00  10.0 10.00   4.22 102.67) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   8.11 +/- 2.38   0.032% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  11.50 +/- 0.71   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.29 +/- 2.11   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  17.35 +/- 2.10   0.000% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  16.47 +/- 1.82   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  12.78 +/- 1.78   0.001% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.72 +/- 2.17   0.000% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.70 +/- 1.22   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.46 +/- 1.42   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.07 +/- 1.58   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  24.06 +/- 3.33   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  26.43 +/- 1.83   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  35.78 +/- 2.22   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 = 4.19, residual support = 74.7:
    * O T HB    VAL   41 - HA    VAL   41   2.84 +/- 0.26  99.412% * 99.0830% (0.69  10.0 10.00   4.19  74.66) = 100.000%  kept
          HG12  ILE  103 - HA    VAL   41   8.94 +/- 0.50   0.127% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    VAL   41   7.54 +/- 0.46   0.319% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.14 +/- 0.37   0.032% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  11.33 +/- 0.82   0.032% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  12.54 +/- 0.56   0.015% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  13.22 +/- 1.47   0.014% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  10.74 +/- 0.74   0.041% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  17.71 +/- 2.62   0.004% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  22.91 +/- 1.29   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.78 +/- 0.58   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  23.15 +/- 1.57   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  20.30 +/- 1.30   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  23.80 +/- 1.10   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.08 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 74.7:
    * O T QG1   VAL   41 - HA    VAL   41   2.69 +/- 0.24  93.740% * 98.7361% (1.00  10.0 10.00   4.18  74.66) =  99.995%  kept
          QG1   VAL   43 - HA    VAL   41   5.25 +/- 1.01   2.739% *  0.0934% (0.95   1.0  1.00   0.02   1.95) =   0.003%
          QD2   LEU   73 - HA    VAL   41   5.31 +/- 0.41   2.117% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    VAL   41   6.42 +/- 1.03   1.063% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   VAL   18 - HA    VAL   41  10.06 +/- 0.76   0.045% *  0.7546% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   8.74 +/- 1.05   0.099% *  0.1954% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   8.09 +/- 0.89   0.183% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  12.93 +/- 0.51   0.009% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  14.79 +/- 1.00   0.004% *  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 = 74.7:
    * O T QG2   VAL   41 - HA    VAL   41   2.32 +/- 0.32  98.176% * 99.7508% (1.00  10.0 10.00   3.96  74.66) =  99.998%  kept
          QD2   LEU   98 - HA    VAL   41   4.80 +/- 0.70   1.759% *  0.0944% (0.95   1.0  1.00   0.02  29.79) =   0.002%
          QD2   LEU   63 - HA    VAL   41   9.30 +/- 1.55   0.060% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  14.12 +/- 2.54   0.005% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.19, residual support = 74.7:
    * O T HA    VAL   41 - HB    VAL   41   2.84 +/- 0.26  99.972% * 99.8595% (0.69  10.0 10.00   4.19  74.66) = 100.000%  kept
          HA    HIS  122 - HB    VAL   41  13.31 +/- 1.96   0.017% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB    VAL   41  13.20 +/- 0.46   0.011% *  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 = 3.97, residual support = 74.7:
    * O T QG1   VAL   41 - HB    VAL   41   2.13 +/- 0.01  96.823% * 98.7361% (0.69  10.0 10.00   3.97  74.66) =  99.997%  kept
          QG1   VAL   43 - HB    VAL   41   4.73 +/- 1.11   1.746% *  0.0934% (0.65   1.0  1.00   0.02   1.95) =   0.002%
          HG    LEU   31 - HB    VAL   41   5.85 +/- 1.44   1.151% *  0.0599% (0.42   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  104 - HB    VAL   41   7.65 +/- 1.34   0.103% *  0.1954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    VAL   41   6.76 +/- 0.89   0.154% *  0.0443% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  11.75 +/- 0.97   0.004% *  0.7546% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41   9.96 +/- 1.23   0.016% *  0.0305% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  13.42 +/- 0.73   0.002% *  0.0639% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.15 +/- 0.95   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 = 3.92, residual support = 73.0:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.01  67.271% * 92.6905% (0.69  10.0 10.00   4.01  74.66) =  96.376%  kept
          QD2   LEU   98 - HB    VAL   41   2.76 +/- 0.92  32.720% *  7.1656% (0.65   1.0  1.00   1.63  29.79) =   3.624%  kept
          QD2   LEU   63 - HB    VAL   41  10.27 +/- 1.59   0.007% *  0.0562% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  14.05 +/- 2.68   0.001% *  0.0877% (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 = 74.7:
    * O T HA    VAL   41 - QG2   VAL   41   2.32 +/- 0.32  99.973% * 99.8595% (1.00  10.0 10.00   3.96  74.66) = 100.000%  kept
          HA    PHE   45 - QG2   VAL   41  10.42 +/- 0.54   0.019% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   41  12.19 +/- 1.49   0.008% *  0.0800% (0.80   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 = 4.01, residual support = 74.7:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.01  99.542% * 99.0830% (0.69  10.0 10.00   4.01  74.66) = 100.000%  kept
          HG12  ILE  103 - QG2   VAL   41   6.29 +/- 0.77   0.203% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   VAL   41   6.39 +/- 0.69   0.174% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41   8.30 +/- 0.67   0.032% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   8.54 +/- 0.94   0.030% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41  10.03 +/- 1.05   0.012% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  12.16 +/- 0.46   0.003% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  13.21 +/- 1.25   0.002% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  16.37 +/- 2.01   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.02 +/- 1.29   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.56 +/- 0.99   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  15.76 +/- 1.43   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.54 +/- 1.59   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  18.71 +/- 1.26   0.000% *  0.0360% (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 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 3.86, residual support = 73.6:
    * O T QG1   VAL   41 - QG2   VAL   41   2.08 +/- 0.03  74.413% * 90.8068% (1.00  10.0 10.00   3.89  74.66) =  98.546%  kept
          QG1   VAL   43 - QG2   VAL   41   3.42 +/- 1.09  12.193% *  8.1167% (0.95   1.0  1.00   1.89   1.95) =   1.443%  kept
          HG    LEU   31 - QG2   VAL   41   3.51 +/- 0.90  12.614% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.010%
          QD2   LEU   73 - QG2   VAL   41   4.75 +/- 0.58   0.671% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG2   VAL   41   7.58 +/- 0.98   0.045% *  0.1797% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QG2   VAL   41   9.37 +/- 0.82   0.010% *  0.6940% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   7.40 +/- 0.79   0.050% *  0.0280% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  10.78 +/- 0.54   0.004% *  0.0587% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  12.80 +/- 1.14   0.002% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 4.39, residual support = 88.3:
    * O T HB    VAL   42 - HA    VAL   42   2.93 +/- 0.07  94.710% * 97.8517% (0.87  10.0 10.00   4.39  88.32) =  99.995%  kept
          QB    LEU   98 - HA    VAL   42   5.31 +/- 0.70   4.026% *  0.0862% (0.76   1.0  1.00   0.02   0.55) =   0.004%
          HB3   LEU   73 - HA    VAL   42   7.09 +/- 1.10   0.738% *  0.0903% (0.80   1.0  1.00   0.02   1.54) =   0.001%
        T HB2   LYS+ 112 - HA    PHE   55   8.90 +/- 1.66   0.237% *  0.1824% (0.16   1.0 10.00   0.02   2.18) =   0.000%
          HG3   LYS+ 106 - HA    VAL   42   8.92 +/- 0.82   0.156% *  0.0639% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  12.22 +/- 0.62   0.019% *  0.1041% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  11.30 +/- 0.36   0.030% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  12.84 +/- 1.02   0.015% *  0.0862% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  12.46 +/- 1.49   0.024% *  0.0506% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  19.18 +/- 1.91   0.001% *  0.7749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  14.81 +/- 1.05   0.006% *  0.0979% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  18.93 +/- 1.86   0.002% *  0.2303% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  15.11 +/- 2.20   0.010% *  0.0230% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  15.42 +/- 2.42   0.006% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  19.70 +/- 2.03   0.002% *  0.1089% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  16.09 +/- 2.31   0.010% *  0.0129% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  19.32 +/- 2.18   0.002% *  0.0213% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.78 +/- 1.05   0.001% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  19.68 +/- 1.77   0.001% *  0.0119% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.57 +/- 1.31   0.001% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  20.88 +/- 1.77   0.001% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  28.02 +/- 2.72   0.000% *  0.0256% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  28.50 +/- 2.35   0.000% *  0.0245% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.46 +/- 1.68   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 = 88.3:
    * O T QG1   VAL   42 - HA    VAL   42   2.59 +/- 0.30  99.473% * 98.1799% (0.97  10.0 10.00   4.00  88.32) =  99.999%  kept
        T QB    ALA   64 - HA    VAL   42   8.13 +/- 0.88   0.149% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    PHE   55  10.19 +/- 1.19   0.047% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    PHE   55   8.01 +/- 2.00   0.304% *  0.0164% (0.16   1.0  1.00   0.02   2.18) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.75 +/- 0.22   0.003% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  13.99 +/- 1.66   0.008% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  12.78 +/- 1.68   0.014% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  18.66 +/- 2.52   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 = 88.3:
    * O T QG2   VAL   42 - HA    VAL   42   2.33 +/- 0.33  99.902% * 99.6660% (0.80  10.0 10.00   4.00  88.32) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   7.94 +/- 0.55   0.094% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  15.09 +/- 1.27   0.002% *  0.2346% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  15.26 +/- 1.83   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 = 4.39, residual support = 88.3:
    * O T HA    VAL   42 - HB    VAL   42   2.93 +/- 0.07  99.288% * 97.9628% (0.87  10.0 10.00   4.39  88.32) =  99.999%  kept
        T HA    PHE   55 - HB2   LYS+ 112   8.90 +/- 1.66   0.247% *  0.3914% (0.35   1.0 10.00   0.02   2.18) =   0.001%
          HA    ALA  110 - HB2   LYS+ 112   7.81 +/- 1.00   0.380% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    VAL   42  10.56 +/- 0.93   0.053% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  18.93 +/- 1.86   0.002% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  19.18 +/- 1.91   0.001% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  13.85 +/- 0.41   0.009% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  14.20 +/- 0.39   0.008% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  15.66 +/- 1.21   0.005% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  16.81 +/- 2.10   0.003% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  20.67 +/- 1.07   0.001% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  20.88 +/- 2.17   0.001% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  22.51 +/- 2.25   0.001% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  32.89 +/- 2.27   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 = 104.5:
    * O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  79.736% * 65.1690% (0.84  10.0 10.00   4.39  88.32) =  88.763%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.74 +/- 0.25  20.095% * 32.7352% (0.42  10.0 10.00   6.74 231.94) =  11.237%  kept
          QB    ALA   64 - HB    VAL   42   6.29 +/- 0.79   0.166% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  14.75 +/- 1.40   0.001% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  14.78 +/- 1.76   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 +/- 0.38   0.001% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  19.16 +/- 2.81   0.000% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  15.05 +/- 1.83   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 = 4.32, residual support = 88.3:
    * O T QG2   VAL   42 - HB    VAL   42   2.13 +/- 0.01  99.972% * 99.1635% (0.69  10.0 10.00   4.32  88.32) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   8.49 +/- 0.53   0.027% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  15.26 +/- 1.74   0.001% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  18.29 +/- 1.67   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 = 4.39, residual support = 88.3:
    * O T HB    VAL   42 - QG1   VAL   42   2.13 +/- 0.01  99.082% * 96.3200% (0.84  10.0 10.00   4.39  88.32) =  99.999%  kept
          HB3   LEU   73 - QG1   VAL   42   5.46 +/- 1.12   0.634% *  0.0889% (0.77   1.0  1.00   0.02   1.54) =   0.001%
          QB    LEU   98 - QG1   VAL   42   6.63 +/- 0.70   0.140% *  0.0849% (0.74   1.0  1.00   0.02   0.55) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   7.92 +/- 1.05   0.049% *  0.0540% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   8.82 +/- 0.89   0.025% *  0.0629% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42   9.90 +/- 0.83   0.011% *  0.0963% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  14.78 +/- 1.76   0.001% *  0.7627% (0.66   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  14.75 +/- 1.40   0.001% *  0.6587% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47   9.14 +/- 1.25   0.022% *  0.0296% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  10.87 +/- 0.77   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 +/- 0.38   0.001% *  0.8318% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42  10.66 +/- 1.29   0.009% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  10.32 +/- 0.86   0.009% *  0.0467% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  13.01 +/- 0.96   0.002% *  0.0849% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  12.91 +/- 0.52   0.002% *  0.0768% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.88 +/- 1.88   0.003% *  0.0343% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  15.65 +/- 1.47   0.001% *  0.1072% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  16.33 +/- 0.51   0.001% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  17.08 +/- 0.92   0.000% *  0.0832% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  16.05 +/- 0.68   0.001% *  0.0543% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.70 +/- 1.89   0.000% *  0.0430% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.04 +/- 0.71   0.000% *  0.0885% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  23.13 +/- 2.00   0.000% *  0.0925% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  23.02 +/- 1.10   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 = 88.3:
    * O T QG2   VAL   42 - QG1   VAL   42   2.10 +/- 0.02  99.823% * 98.9960% (0.77  10.0 10.00   4.00  88.32) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   6.52 +/- 0.75   0.140% *  0.0800% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   8.09 +/- 0.66   0.035% *  0.0691% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  12.76 +/- 0.68   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 = 88.3:
    * O T HA    VAL   42 - QG2   VAL   42   2.33 +/- 0.33  99.883% * 99.2010% (0.80  10.0 10.00   4.00  88.32) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   9.52 +/- 1.30   0.084% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  15.09 +/- 1.27   0.002% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  11.64 +/- 0.79   0.016% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.47 +/- 0.63   0.006% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  12.86 +/- 1.80   0.007% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  17.03 +/- 1.27   0.002% *  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 = 4.32, residual support = 88.3:
    * O T HB    VAL   42 - QG2   VAL   42   2.13 +/- 0.01  99.177% * 98.4381% (0.69  10.0 10.00   4.32  88.32) =  99.999%  kept
          QB    LEU   98 - QG2   VAL   42   5.75 +/- 0.79   0.386% *  0.0867% (0.61   1.0  1.00   0.02   0.55) =   0.000%
          HB3   LEU   73 - QG2   VAL   42   6.62 +/- 1.12   0.329% *  0.0909% (0.64   1.0  1.00   0.02   1.54) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   8.33 +/- 1.07   0.039% *  0.0642% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42   9.76 +/- 1.63   0.025% *  0.0509% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42   9.46 +/- 1.09   0.019% *  0.0552% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  10.58 +/- 0.94   0.008% *  0.1048% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42  10.57 +/- 1.12   0.008% *  0.0984% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  15.26 +/- 1.74   0.001% *  0.7795% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  11.83 +/- 1.27   0.004% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  15.65 +/- 1.92   0.001% *  0.1095% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  14.14 +/- 2.32   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 = 88.3:
    * O T QG1   VAL   42 - QG2   VAL   42   2.10 +/- 0.02  99.401% * 98.8869% (0.77  10.0 10.00   4.00  88.32) = 100.000%  kept
          QB    ALA   64 - QG2   VAL   42   5.39 +/- 1.00   0.595% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - QG2   VAL   42  12.76 +/- 0.68   0.002% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  14.79 +/- 2.23   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 = 60.6:
    * O T HB    VAL   43 - HA    VAL   43   2.99 +/- 0.03  99.965% * 99.7401% (0.97  10.0 10.00   3.30  60.56) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.65 +/- 0.51   0.018% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  15.42 +/- 1.20   0.006% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  13.89 +/- 0.79   0.011% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.893, support = 4.35, residual support = 60.0:
    * O T QG1   VAL   43 - HA    VAL   43   2.49 +/- 0.21  81.112% * 95.4174% (0.90  10.0 10.00   4.37  60.56) =  99.020%  kept
          QD2   LEU   73 - HA    VAL   43   4.42 +/- 1.44  18.227% *  4.1982% (0.53   1.0  1.00   1.50   7.90) =   0.979%  kept
          QG1   VAL   41 - HA    VAL   43   7.35 +/- 0.30   0.131% *  0.1055% (0.99   1.0  1.00   0.02   1.95) =   0.000%
          QG2   VAL   18 - HA    VAL   43   7.88 +/- 1.12   0.154% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   43   7.48 +/- 1.03   0.146% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   43   7.71 +/- 0.54   0.130% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   8.55 +/- 0.63   0.068% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  11.01 +/- 1.25   0.021% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.73 +/- 0.85   0.011% *  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 = 60.5:
    * O T QG2   VAL   43 - HA    VAL   43   2.33 +/- 0.20  98.691% * 98.9143% (0.69  10.0 10.00   3.00  60.56) =  99.987%  kept
        T QD2   LEU   31 - HA    VAL   43   5.32 +/- 0.80   1.224% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.013%
          QG2   VAL   83 - HA    VAL   43   9.04 +/- 2.75   0.084% *  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 = 60.6:
    * O T HA    VAL   43 - HB    VAL   43   2.99 +/- 0.03  99.922% * 99.8083% (0.97  10.0 10.00   3.30  60.56) = 100.000%  kept
          HA    HIS   22 - HB    VAL   43  12.56 +/- 1.41   0.023% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    VAL   43  10.76 +/- 0.69   0.051% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  16.04 +/- 0.51   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 = 3.73, residual support = 60.6:
    * O T QG1   VAL   43 - HB    VAL   43   2.12 +/- 0.01  99.294% * 97.7514% (0.87  10.0 10.00   3.73  60.56) =  99.999%  kept
        T QG1   VAL   41 - HB    VAL   43   7.06 +/- 0.46   0.079% *  1.0803% (0.96   1.0 10.00   0.02   1.95) =   0.001%
          QD2   LEU   73 - HB    VAL   43   6.45 +/- 1.38   0.493% *  0.0573% (0.51   1.0  1.00   0.02   7.90) =   0.000%
        T QG2   VAL   18 - HB    VAL   43  10.12 +/- 1.04   0.011% *  0.7487% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   43   7.46 +/- 1.06   0.078% *  0.0749% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   8.83 +/- 0.86   0.024% *  0.0617% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  10.61 +/- 0.93   0.008% *  0.1682% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  10.65 +/- 0.71   0.007% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  11.33 +/- 1.23   0.006% *  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 = 60.6:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  99.533% * 98.9143% (0.66  10.0 10.00   2.89  60.56) =  99.996%  kept
        T QD2   LEU   31 - HB    VAL   43   5.75 +/- 0.81   0.392% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.004%
          QG2   VAL   83 - HB    VAL   43   8.39 +/- 2.70   0.076% *  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 = 4.37, residual support = 60.6:
    * O T HA    VAL   43 - QG1   VAL   43   2.49 +/- 0.21  99.845% * 99.8083% (0.90  10.0 10.00   4.37  60.56) = 100.000%  kept
          HA    HIS   22 - QG1   VAL   43   9.83 +/- 1.60   0.062% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   71 - QG1   VAL   43   8.37 +/- 0.66   0.087% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  12.98 +/- 0.66   0.006% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.866, support = 3.73, residual support = 60.6:
    * O T HB    VAL   43 - QG1   VAL   43   2.12 +/- 0.01  99.983% * 99.7401% (0.87  10.0 10.00   3.73  60.56) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.78 +/- 1.03   0.013% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  13.06 +/- 1.25   0.002% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  13.49 +/- 0.72   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 = 3.85, residual support = 60.5:
    * O T QG2   VAL   43 - QG1   VAL   43   2.05 +/- 0.05  94.441% * 98.9143% (0.62  10.0 10.00   3.86  60.56) =  99.940%  kept
        T QD2   LEU   31 - QG1   VAL   43   3.73 +/- 0.69   5.351% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.060%
          QG2   VAL   83 - QG1   VAL   43   6.86 +/- 2.68   0.208% *  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 = 60.6:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  99.585% * 99.3815% (0.66  10.0 10.00   2.89  60.56) =  99.999%  kept
        T HB    VAL   43 - QD2   LEU   31   5.75 +/- 0.81   0.392% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   43  11.30 +/- 0.68   0.005% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   43  11.82 +/- 1.45   0.004% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31  10.33 +/- 1.00   0.009% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  13.37 +/- 1.00   0.002% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  12.81 +/- 0.92   0.002% *  0.0155% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  14.66 +/- 1.37   0.001% *  0.0293% (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 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.543, support = 4.15, residual support = 86.2:
    * O T QG1   VAL   43 - QG2   VAL   43   2.05 +/- 0.05  48.172% * 80.9559% (0.62  10.0 10.00   3.86  60.56) =  84.835%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  39.116% * 17.7908% (0.14  10.0 10.00   5.84 230.32) =  15.138%  kept
        T QG1   VAL   43 - QD2   LEU   31   3.73 +/- 0.69   2.975% *  0.2323% (0.18   1.0 10.00   0.02   0.02) =   0.015%
        T HG    LEU   31 - QG2   VAL   43   5.62 +/- 1.30   0.352% *  0.6201% (0.47   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU   73 - QG2   VAL   43   4.66 +/- 1.39   4.456% *  0.0475% (0.36   1.0  1.00   0.02   7.90) =   0.005%
          QG1   VAL   41 - QD2   LEU   31   4.02 +/- 0.95   3.182% *  0.0257% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   73 - QD2   LEU   31   3.90 +/- 0.62   1.504% *  0.0136% (0.10   1.0  1.00   0.02   3.33) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.44 +/- 0.68   0.066% *  0.0895% (0.68   1.0  1.00   0.02   1.95) =   0.000%
          QG2   THR   46 - QG2   VAL   43   6.74 +/- 0.46   0.042% *  0.0511% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   8.08 +/- 0.96   0.018% *  0.0620% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   6.20 +/- 0.47   0.073% *  0.0065% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   8.14 +/- 1.07   0.017% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43   9.86 +/- 1.30   0.006% *  0.0251% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.20 +/- 0.99   0.007% *  0.0178% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43  10.16 +/- 0.83   0.004% *  0.0139% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  10.13 +/- 0.70   0.004% *  0.0147% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.09 +/- 1.08   0.004% *  0.0040% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  13.54 +/- 1.00   0.001% *  0.0072% (0.05   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 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 = 38.0:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.91 +/- 0.13  99.726% * 97.1917% (1.00  10.0 10.00   2.68  37.97) = 100.000%  kept
          HB3   PHE   72 - HA    ASP-  44   8.46 +/- 0.64   0.185% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  15.45 +/- 1.37   0.005% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44  10.89 +/- 1.09   0.043% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  18.20 +/- 1.55   0.002% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  13.57 +/- 1.17   0.013% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  11.94 +/- 0.56   0.022% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  26.31 +/- 2.35   0.000% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  16.52 +/- 0.44   0.003% *  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 = 38.0:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.67 +/- 0.28  99.339% * 98.4998% (1.00  10.0 10.00   4.00  37.97) =  99.999%  kept
          HB3   PRO   93 - HA    ASP-  44   7.00 +/- 0.58   0.368% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ASP-  44  10.57 +/- 1.09   0.035% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASP-  44   8.82 +/- 1.09   0.139% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44  10.10 +/- 1.60   0.051% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  12.30 +/- 2.17   0.019% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44  10.53 +/- 0.88   0.031% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  13.62 +/- 0.90   0.007% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  15.21 +/- 1.43   0.004% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  18.03 +/- 1.47   0.001% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.60 +/- 0.74   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  15.91 +/- 1.55   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.79 +/- 0.37   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 38.0:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.91 +/- 0.13  99.627% * 98.1053% (1.00  10.0 10.00   2.68  37.97) = 100.000%  kept
          HA    ALA   57 - HB2   ASP-  44   8.41 +/- 1.44   0.316% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ASP-  44  11.77 +/- 0.49   0.025% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.69 +/- 0.65   0.010% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  18.11 +/- 1.31   0.002% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  14.67 +/- 0.68   0.006% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  27.23 +/- 2.69   0.000% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  15.51 +/- 0.70   0.004% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  17.70 +/- 1.36   0.002% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  16.25 +/- 1.21   0.004% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  18.06 +/- 2.06   0.002% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  24.23 +/- 2.44   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 = 2.61, residual support = 38.0:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.959% * 99.2040% (1.00  10.0 10.00   2.61  37.97) = 100.000%  kept
          HB2   LEU   63 - HB2   ASP-  44   7.65 +/- 1.07   0.022% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  44   8.26 +/- 1.07   0.013% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.25 +/- 1.67   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  11.73 +/- 0.94   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  12.97 +/- 1.97   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  13.68 +/- 1.13   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.64 +/- 0.75   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  17.60 +/- 1.51   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  16.95 +/- 1.52   0.000% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.78 +/- 0.85   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  16.64 +/- 1.49   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.40 +/- 0.59   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 = 38.0:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.67 +/- 0.28  99.647% * 99.3093% (1.00  10.0 10.00   4.00  37.97) = 100.000%  kept
          HA    ALA   57 - HB3   ASP-  44   7.78 +/- 1.38   0.301% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  11.05 +/- 0.63   0.028% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  14.43 +/- 1.43   0.007% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  14.18 +/- 0.90   0.005% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  15.07 +/- 1.33   0.005% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  17.09 +/- 1.11   0.002% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.76 +/- 0.53   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  17.72 +/- 1.76   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  19.25 +/- 1.44   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  28.42 +/- 2.81   0.000% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  25.39 +/- 2.57   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 = 2.61, residual support = 38.0:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.971% * 99.4398% (1.00  10.0 10.00   2.61  37.97) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   7.36 +/- 0.83   0.024% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44  11.01 +/- 1.59   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  14.57 +/- 1.38   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  14.42 +/- 1.15   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  16.94 +/- 1.70   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.58 +/- 0.99   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  16.70 +/- 1.24   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  25.30 +/- 2.50   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 = 80.8:
    * O T HB2   PHE   45 - HA    PHE   45   3.02 +/- 0.16  99.723% * 99.8680% (1.00  10.0 10.00   3.31  80.77) = 100.000%  kept
          HB2   CYS   21 - HA    PHE   45   8.57 +/- 1.06   0.273% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    PHE   45  16.28 +/- 0.71   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 = 80.8:
    * O T HB3   PHE   45 - HA    PHE   45   2.64 +/- 0.16  99.958% * 99.6736% (1.00  10.0 10.00   4.00  80.77) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  11.27 +/- 0.88   0.019% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  12.40 +/- 1.65   0.012% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  14.94 +/- 2.11   0.004% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  17.56 +/- 0.59   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  14.89 +/- 1.02   0.004% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  17.77 +/- 0.98   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 = 80.8:
    * O T HA    PHE   45 - HB2   PHE   45   3.02 +/- 0.16  99.987% * 99.9145% (1.00  10.0 10.00   3.31  80.77) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  13.93 +/- 0.51   0.011% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  19.08 +/- 1.63   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 = 80.8:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.993% * 99.6736% (1.00  10.0 10.00   3.31  80.77) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   9.77 +/- 1.11   0.004% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  11.78 +/- 2.05   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  14.01 +/- 1.93   0.001% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  15.34 +/- 1.03   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  19.24 +/- 0.65   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  18.82 +/- 0.94   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 = 80.8:
    * O T HA    PHE   45 - HB3   PHE   45   2.64 +/- 0.16  99.996% * 99.9145% (1.00  10.0 10.00   4.00  80.77) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.58 +/- 0.25   0.004% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.28 +/- 1.49   0.001% *  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 = 80.8:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.997% * 99.8680% (1.00  10.0 10.00   3.31  80.77) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45  10.68 +/- 0.98   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  15.20 +/- 0.94   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   2.50 +/- 0.12  99.994% * 98.0423% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  13.92 +/- 0.84   0.004% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  18.08 +/- 2.27   0.001% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  26.38 +/- 1.10   0.000% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  25.53 +/- 2.11   0.000% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  19.45 +/- 1.45   0.001% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  22.46 +/- 1.77   0.000% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  30.58 +/- 2.07   0.000% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  32.00 +/- 2.32   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   2.84 +/- 0.36  99.433% * 97.3989% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          QG1   VAL   41 - HA    SER   37   8.63 +/- 0.33   0.169% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    THR   46  10.22 +/- 1.17   0.074% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    THR   46   9.90 +/- 1.06   0.081% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   13   9.56 +/- 1.33   0.120% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37  10.87 +/- 0.85   0.042% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  13.58 +/- 1.16   0.014% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  13.92 +/- 1.08   0.011% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  13.16 +/- 0.84   0.014% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  20.97 +/- 0.49   0.001% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  14.35 +/- 0.83   0.008% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  20.29 +/- 1.40   0.001% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  15.82 +/- 0.63   0.004% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.81 +/- 0.26   0.004% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.36 +/- 0.57   0.012% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  16.74 +/- 1.74   0.004% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  18.40 +/- 0.75   0.002% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  18.49 +/- 1.50   0.002% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  16.66 +/- 1.16   0.003% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  22.10 +/- 1.75   0.001% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  20.54 +/- 2.18   0.001% *  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   2.50 +/- 0.12  99.971% * 98.0777% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  10.76 +/- 1.26   0.020% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  13.46 +/- 0.92   0.005% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  15.25 +/- 1.42   0.002% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  26.38 +/- 1.10   0.000% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  25.53 +/- 2.11   0.000% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  19.31 +/- 1.51   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  20.03 +/- 0.94   0.000% *  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  99.950% * 99.5878% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   8.84 +/- 1.39   0.033% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46  10.15 +/- 1.17   0.013% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  13.37 +/- 1.25   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  15.82 +/- 0.83   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  18.72 +/- 1.26   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  16.75 +/- 1.49   0.001% *  0.0154% (0.15   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 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   2.84 +/- 0.36  99.698% * 98.0777% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    PRO   58 - QG2   THR   46   8.97 +/- 1.51   0.223% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG2   THR   46  11.92 +/- 0.87   0.024% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  10.49 +/- 0.74   0.044% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  20.97 +/- 0.49   0.001% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  20.29 +/- 1.40   0.001% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  15.15 +/- 0.85   0.006% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  15.88 +/- 0.63   0.004% *  0.0440% (0.45   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 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   0.004% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  15.48 +/- 2.00   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   2.13 +/- 0.01  99.997% * 99.0048% (0.95  10.0 10.00   2.00  11.04) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  13.16 +/- 0.72   0.002% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  14.20 +/- 0.62   0.001% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  18.00 +/- 1.91   0.000% *  0.0551% (0.53   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 = 0.941, support = 2.01, residual support = 11.0:
    * O T HA    ALA   47 - QB    ALA   47   2.13 +/- 0.01  84.712% * 93.5115% (0.95  10.0 10.00   2.00  11.04) =  99.015%  kept
          HA    CYS   50 - QB    ALA   47   3.55 +/- 0.93  14.483% *  5.4390% (0.42   1.0  1.00   2.59   6.82) =   0.985%  kept
          HA    TRP   49 - QB    ALA   47   4.70 +/- 0.17   0.773% *  0.0260% (0.26   1.0  1.00   0.02  14.71) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  13.16 +/- 0.72   0.002% *  0.7162% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    ALA   47  10.61 +/- 1.31   0.006% *  0.0917% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42  10.07 +/- 0.75   0.008% *  0.0702% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    ALA   47  11.35 +/- 1.51   0.005% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  10.44 +/- 1.06   0.007% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  13.36 +/- 0.58   0.001% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  15.18 +/- 1.65   0.001% *  0.0321% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  13.32 +/- 0.69   0.002% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  17.33 +/- 0.85   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 = 1.77, residual support = 9.44:
    * O T QB    SER   48 - HA    SER   48   2.29 +/- 0.07  98.965% * 96.0221% (1.00  10.0 10.00   1.77   9.44) =  99.998%  kept
        T QB    SER   85 - HB2   SER   82   5.56 +/- 0.38   0.527% *  0.2561% (0.27   1.0 10.00   0.02   2.96) =   0.001%
          HA2   GLY   51 - HA    SER   48   8.16 +/- 1.54   0.435% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  13.34 +/- 1.52   0.004% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  14.71 +/- 1.65   0.002% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70  10.11 +/- 1.80   0.037% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  13.29 +/- 0.77   0.003% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.85 +/- 1.00   0.010% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  16.47 +/- 1.00   0.001% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  21.57 +/- 1.73   0.000% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  15.53 +/- 2.26   0.002% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  14.32 +/- 1.98   0.003% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  13.74 +/- 1.31   0.003% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  23.80 +/- 1.36   0.000% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  15.30 +/- 1.51   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  23.13 +/- 1.07   0.000% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  11.83 +/- 0.98   0.006% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  26.84 +/- 2.13   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  17.60 +/- 0.60   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  21.09 +/- 1.57   0.000% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  24.99 +/- 1.89   0.000% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  21.81 +/- 2.25   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  26.49 +/- 1.99   0.000% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  27.82 +/- 2.11   0.000% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  26.86 +/- 1.31   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  22.96 +/- 1.73   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  29.11 +/- 1.76   0.000% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  32.05 +/- 2.59   0.000% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  28.80 +/- 1.42   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  32.95 +/- 2.00   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 = 4.07, residual support = 86.7:
    * O T HB2   TRP   49 - HA    TRP   49   2.38 +/- 0.12  99.486% * 96.9997% (1.00  10.0 10.00   4.07  86.70) =  99.995%  kept
        T HB2   TRP   49 - HA    CYS   50   5.87 +/- 0.21   0.482% *  0.9143% (0.94   1.0 10.00   0.02   2.56) =   0.005%
        T HA2   GLY  109 - HA    CYS   50  12.83 +/- 2.90   0.007% *  0.7321% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  16.83 +/- 2.54   0.001% *  0.7767% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  13.00 +/- 1.57   0.009% *  0.0865% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  14.30 +/- 1.71   0.008% *  0.0918% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  13.76 +/- 1.68   0.004% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  14.54 +/- 0.55   0.002% *  0.0131% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  20.54 +/- 1.68   0.000% *  0.0906% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  21.29 +/- 1.94   0.000% *  0.0906% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  23.90 +/- 1.60   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  25.04 +/- 1.93   0.000% *  0.0961% (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 = 0.834, support = 4.05, residual support = 84.8:
    * O T HB3   TRP   49 - HA    TRP   49   2.51 +/- 0.18  97.646% * 51.4295% (0.84  10.0 10.00   4.07  86.70) =  97.784%  kept
        T HB3   TRP   49 - HA    CYS   50   4.91 +/- 0.53   2.348% * 48.4748% (0.79   1.0 10.00   3.23   2.56) =   2.216%  kept
          HB3   PHE   59 - HA    CYS   50  13.96 +/- 1.49   0.005% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.10 +/- 1.42   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 = 4.07, residual support = 86.7:
    * O T HA    TRP   49 - HB2   TRP   49   2.38 +/- 0.12  99.272% * 97.9260% (1.00  10.0 10.00   4.07  86.70) =  99.995%  kept
        T HA    CYS   50 - HB2   TRP   49   5.87 +/- 0.21   0.481% *  0.9263% (0.95   1.0 10.00   0.02   2.56) =   0.005%
          HA    ALA   47 - HB2   TRP   49   6.78 +/- 0.51   0.246% *  0.0272% (0.28   1.0  1.00   0.02  14.71) =   0.000%
        T HA1   GLY  109 - HB2   TRP   49  17.86 +/- 1.90   0.001% *  0.9451% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  19.63 +/- 0.89   0.000% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  17.87 +/- 1.58   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  31.37 +/- 1.15   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 = 86.7:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.9042% (0.84  10.0 10.00   3.00  86.70) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  18.50 +/- 1.29   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 = 4.07, residual support = 86.7:
    * O T HA    TRP   49 - HB3   TRP   49   2.51 +/- 0.18  97.423% * 98.7661% (0.84  10.0 10.00   4.07  86.70) =  99.977%  kept
        T HA    CYS   50 - HB3   TRP   49   4.91 +/- 0.53   2.340% *  0.9343% (0.79   1.0 10.00   0.02   2.56) =   0.023%
          HA    ALA   47 - HB3   TRP   49   7.16 +/- 0.45   0.234% *  0.0275% (0.23   1.0  1.00   0.02  14.71) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  16.94 +/- 1.94   0.002% *  0.0953% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  20.32 +/- 0.75   0.000% *  0.0934% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  17.19 +/- 1.61   0.001% *  0.0195% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  31.21 +/- 1.05   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 = 86.7:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.995% * 99.6151% (0.84  10.0 10.00   3.00  86.70) = 100.000%  kept
          HA    ALA   84 - HB3   TRP   49  13.89 +/- 2.05   0.004% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  16.35 +/- 2.53   0.000% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  15.48 +/- 0.54   0.000% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  24.64 +/- 1.62   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  25.42 +/- 2.00   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 = 1.63, residual support = 6.89:
    * O T QB    CYS   50 - HA    CYS   50   2.40 +/- 0.16  97.445% * 51.3514% (1.00  10.0 10.00   1.59   6.99) =  97.727%  kept
        T QB    CYS   50 - HA    TRP   49   4.61 +/- 0.37   2.404% * 48.4012% (0.94   1.0 10.00   3.11   2.56) =   2.273%  kept
          HB3   ASP-  78 - HA    TRP   49   9.08 +/- 1.86   0.096% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    CYS   50  10.78 +/- 1.51   0.016% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50  10.61 +/- 2.01   0.030% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  12.15 +/- 1.15   0.007% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  19.35 +/- 2.10   0.000% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  21.09 +/- 1.00   0.000% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  29.71 +/- 1.81   0.000% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  31.97 +/- 0.76   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 = 1.59, residual support = 6.99:
    * O T HA    CYS   50 - QB    CYS   50   2.40 +/- 0.16  95.826% * 98.7658% (1.00  10.0 10.00   1.59   6.99) =  99.976%  kept
        T HA    TRP   49 - QB    CYS   50   4.61 +/- 0.37   2.364% *  0.9343% (0.95   1.0 10.00   0.02   2.56) =   0.023%
          HA    ALA   47 - QB    CYS   50   5.01 +/- 0.56   1.784% *  0.0443% (0.45   1.0  1.00   0.02   6.82) =   0.001%
          HA1   GLY  109 - QB    CYS   50  11.89 +/- 2.06   0.012% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  11.58 +/- 1.87   0.013% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  15.67 +/- 1.32   0.001% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  24.15 +/- 0.93   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 = 7.11, residual support = 224.4:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  96.862% * 99.8323% (1.00  10.0 10.00   7.11 224.41) =  99.999%  kept
          HA    ALA   91 - HD2   PRO   52   8.03 +/- 1.78   2.893% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HD2   PRO   52  12.05 +/- 2.08   0.210% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  15.56 +/- 1.69   0.032% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  21.66 +/- 1.34   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 = 6.58, residual support = 224.4:
    * O T HB2   PRO   52 - HD2   PRO   52   3.98 +/- 0.08  99.975% * 99.5699% (1.00  10.0 10.00   6.58 224.41) = 100.000%  kept
        T HG2   MET   96 - HD2   PRO   52  18.95 +/- 1.68   0.010% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HD2   PRO   52  17.45 +/- 0.69   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 = 6.68, residual support = 224.4:
    * O T HB3   PRO   52 - HD2   PRO   52   3.91 +/- 0.08  86.960% * 98.1836% (1.00  10.0 10.00   6.68 224.41) =  99.995%  kept
          HG2   PRO   93 - HD2   PRO   52   6.95 +/- 2.20   7.993% *  0.0303% (0.31   1.0  1.00   0.02   0.70) =   0.003%
          HG2   ARG+  54 - HD2   PRO   52   6.58 +/- 0.63   4.569% *  0.0368% (0.38   1.0  1.00   0.02   1.75) =   0.002%
        T QB    LYS+  81 - HD2   PRO   52  14.37 +/- 1.67   0.055% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   52  10.67 +/- 1.78   0.404% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  24.21 +/- 1.51   0.002% *  0.9818% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  20.01 +/- 0.90   0.005% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  25.72 +/- 1.21   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  23.22 +/- 1.24   0.002% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  23.44 +/- 1.29   0.002% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  21.19 +/- 1.52   0.004% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  24.37 +/- 1.34   0.002% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  27.24 +/- 1.65   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.79 +/- 1.07   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 0.04 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.51, residual support = 224.4:
    * O T HG2   PRO   52 - HD2   PRO   52   2.55 +/- 0.28  99.016% * 99.6094% (1.00  10.0 10.00   6.51 224.41) =  99.999%  kept
          HG2   MET   92 - HD2   PRO   52   6.73 +/- 1.93   0.970% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD2   PRO   52  13.32 +/- 1.96   0.007% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  15.69 +/- 1.79   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.63 +/- 0.87   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  27.38 +/- 1.70   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  34.07 +/- 1.07   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 = 6.51, residual support = 224.4:
    * O T HG3   PRO   52 - HD2   PRO   52   2.61 +/- 0.28  99.624% * 98.5427% (1.00  10.0 10.00   6.51 224.41) = 100.000%  kept
          HB2   PRO   93 - HD2   PRO   52   7.58 +/- 2.03   0.367% *  0.0304% (0.31   1.0  1.00   0.02   0.70) =   0.000%
        T HG2   PRO   58 - HD2   PRO   52  13.17 +/- 1.15   0.008% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  26.62 +/- 1.39   0.000% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  30.03 +/- 2.18   0.000% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  21.14 +/- 2.07   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  28.09 +/- 1.06   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  39.04 +/- 2.64   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 = 5.16, residual support = 224.4:
    * O T HB2   PRO   52 - HA    PRO   52   2.43 +/- 0.20  99.998% * 99.5699% (1.00  10.0 10.00   5.16 224.41) = 100.000%  kept
        T HG2   MET   96 - HA    PRO   52  19.33 +/- 1.56   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HA    PRO   52  15.44 +/- 1.18   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 = 6.14, residual support = 224.4:
    * O T HB3   PRO   52 - HA    PRO   52   2.60 +/- 0.20  97.393% * 99.2796% (1.00  10.0 10.00   6.15 224.41) =  99.999%  kept
          HG2   PRO   93 - HA    PRO   52   6.34 +/- 2.13   1.507% *  0.0306% (0.31   1.0  1.00   0.02   0.70) =   0.000%
          HG2   ARG+  54 - HA    PRO   52   6.53 +/- 0.98   1.089% *  0.0373% (0.38   1.0  1.00   0.02   1.75) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  17.43 +/- 1.81   0.001% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  13.73 +/- 2.06   0.007% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  18.47 +/- 1.04   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  21.80 +/- 1.68   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  20.06 +/- 1.47   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.44 +/- 0.93   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.84 +/- 1.12   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.39 +/- 1.07   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  25.93 +/- 2.19   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  26.51 +/- 1.23   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.69 +/- 0.87   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 = 224.4:
    * O T HG2   PRO   52 - HA    PRO   52   3.93 +/- 0.05  95.681% * 99.6094% (1.00  10.0 10.00   5.98 224.41) =  99.997%  kept
          HG2   MET   92 - HA    PRO   52   8.31 +/- 2.26   3.951% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HA    PRO   52  11.52 +/- 1.92   0.232% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  12.40 +/- 1.30   0.125% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  18.61 +/- 1.66   0.010% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  29.86 +/- 1.40   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  34.79 +/- 1.37   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.36 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 224.4:
    * O T HG3   PRO   52 - HA    PRO   52   3.92 +/- 0.05  96.620% * 98.7160% (1.00  10.0 10.00   5.97 224.41) =  99.996%  kept
        T HG2   PRO   58 - HA    PRO   52  10.66 +/- 1.24   0.306% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HA    PRO   52   7.64 +/- 1.67   3.069% *  0.0305% (0.31   1.0  1.00   0.02   0.70) =   0.001%
          HB2   GLU-  14 - HA    PRO   52  30.46 +/- 2.35   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  26.98 +/- 1.64   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  23.65 +/- 1.80   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  27.81 +/- 1.20   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  39.36 +/- 2.50   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 0.81 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.11, residual support = 224.4:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.559% * 99.4673% (1.00  10.0 10.00   7.11 224.41) = 100.000%  kept
          HA    SER   48 - HA    PRO   52  10.99 +/- 1.55   0.389% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    PRO   52  17.87 +/- 1.88   0.015% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  18.71 +/- 1.61   0.011% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    PRO   52  21.03 +/- 1.83   0.006% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  20.05 +/- 1.69   0.008% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  22.92 +/- 1.82   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  21.01 +/- 1.56   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  25.88 +/- 2.02   0.002% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  30.80 +/- 1.37   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  29.75 +/- 1.19   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.60 +/- 1.32   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 = 5.16, residual support = 224.4:
    * O T HA    PRO   52 - HB2   PRO   52   2.43 +/- 0.20  99.643% * 99.4915% (1.00  10.0 10.00   5.16 224.41) = 100.000%  kept
          HA    LYS+ 111 - HB2   PRO   52   8.85 +/- 2.74   0.104% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB2   PRO   52   9.72 +/- 2.36   0.162% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   9.02 +/- 1.15   0.072% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  19.33 +/- 1.56   0.001% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  13.50 +/- 2.43   0.007% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  12.84 +/- 1.29   0.007% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  16.80 +/- 1.56   0.001% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.16 +/- 1.03   0.002% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  23.12 +/- 1.70   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 = 6.22, residual support = 224.4:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  98.498% * 98.7825% (1.00  10.0 10.00   6.22 224.41) = 100.000%  kept
          HG2   PRO   93 - HB2   PRO   52   5.72 +/- 2.84   0.670% *  0.0305% (0.31   1.0  1.00   0.02   0.70) =   0.000%
          HG12  ILE  103 - HG2   MET   96   4.64 +/- 0.99   0.669% *  0.0260% (0.26   1.0  1.00   0.02   8.34) =   0.000%
          HB    VAL   41 - HG2   MET   96   7.10 +/- 1.60   0.052% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   MET   96   6.27 +/- 1.00   0.079% *  0.0119% (0.12   1.0  1.00   0.02   8.34) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   8.37 +/- 0.80   0.011% *  0.0371% (0.38   1.0  1.00   0.02   1.75) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.40 +/- 1.08   0.011% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  12.58 +/- 2.61   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  17.89 +/- 2.19   0.000% *  0.2902% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  16.92 +/- 2.12   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.38 +/- 0.91   0.005% *  0.0045% (0.05   1.0  1.00   0.02   0.14) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  17.38 +/- 1.93   0.000% *  0.0448% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.52 +/- 1.07   0.001% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.38 +/- 1.09   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  19.04 +/- 1.00   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  22.15 +/- 1.74   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  18.39 +/- 1.54   0.000% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  14.63 +/- 1.05   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  22.52 +/- 1.96   0.000% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  19.50 +/- 2.09   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  23.37 +/- 1.90   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  18.72 +/- 2.11   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  23.37 +/- 2.13   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  17.70 +/- 1.42   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  20.60 +/- 1.44   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  26.43 +/- 1.93   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  26.46 +/- 1.36   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  24.92 +/- 1.75   0.000% *  0.0152% (0.15   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 = 224.4:
    * O T HG2   PRO   52 - HB2   PRO   52   2.76 +/- 0.27  94.741% * 99.2053% (1.00  10.0 10.00   6.10 224.41) =  99.996%  kept
          HG2   MET   92 - HB2   PRO   52   6.89 +/- 3.04   5.167% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          QG    GLU- 114 - HB2   PRO   52  10.88 +/- 2.24   0.046% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  11.58 +/- 1.73   0.025% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  18.23 +/- 2.02   0.001% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.71 +/- 1.07   0.009% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  18.58 +/- 2.16   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.37 +/- 1.03   0.004% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  17.51 +/- 1.49   0.002% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  20.00 +/- 1.70   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  20.02 +/- 1.53   0.001% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  29.50 +/- 2.23   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  19.28 +/- 1.01   0.001% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  34.66 +/- 1.45   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 = 6.1, residual support = 224.4:
    * O T HG3   PRO   52 - HB2   PRO   52   2.46 +/- 0.27  99.415% * 98.0617% (1.00  10.0 10.00   6.10 224.41) = 100.000%  kept
          HB2   PRO   93 - HB2   PRO   52   7.39 +/- 2.41   0.553% *  0.0303% (0.31   1.0  1.00   0.02   0.70) =   0.000%
        T HG2   PRO   58 - HB2   PRO   52  11.99 +/- 0.92   0.010% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  18.40 +/- 2.79   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  18.88 +/- 0.99   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.40 +/- 0.96   0.009% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  14.80 +/- 2.66   0.006% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  14.47 +/- 1.27   0.003% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.49 +/- 1.32   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  24.10 +/- 1.92   0.000% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  23.11 +/- 2.77   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  31.11 +/- 2.22   0.000% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  27.48 +/- 1.47   0.000% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.50 +/- 1.67   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  31.95 +/- 3.07   0.000% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  40.03 +/- 2.78   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 = 6.58, residual support = 224.4:
    * O T HD2   PRO   52 - HB2   PRO   52   3.98 +/- 0.08  99.425% * 99.0230% (1.00  10.0 10.00   6.58 224.41) = 100.000%  kept
          HA    SER   48 - HB2   PRO   52  11.60 +/- 1.44   0.244% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  18.95 +/- 1.68   0.010% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  16.59 +/- 2.60   0.029% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  14.71 +/- 1.38   0.048% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  15.87 +/- 2.72   0.039% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  17.77 +/- 2.12   0.016% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  15.83 +/- 2.67   0.038% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  15.26 +/- 0.85   0.034% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  21.94 +/- 1.67   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  16.17 +/- 1.27   0.025% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  20.61 +/- 1.63   0.006% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  18.48 +/- 3.16   0.016% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  19.22 +/- 1.05   0.008% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  20.03 +/- 1.12   0.007% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  22.24 +/- 2.34   0.004% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  17.00 +/- 0.94   0.017% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  21.19 +/- 1.62   0.005% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  17.14 +/- 1.22   0.018% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.98 +/- 1.49   0.005% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  26.63 +/- 1.86   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  30.38 +/- 1.87   0.001% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  29.42 +/- 1.75   0.001% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.45 +/- 1.55   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 224.4:
    * O T HA    PRO   52 - HB3   PRO   52   2.60 +/- 0.20  99.480% * 99.6990% (1.00  10.0 10.00   6.15 224.41) = 100.000%  kept
          HA    LYS+ 111 - HB3   PRO   52   8.66 +/- 2.55   0.324% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   PRO   52   9.26 +/- 1.88   0.109% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  10.21 +/- 2.37   0.068% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  13.02 +/- 2.22   0.011% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  17.43 +/- 1.81   0.001% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  14.17 +/- 1.77   0.006% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  22.65 +/- 1.36   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  21.97 +/- 1.29   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  20.51 +/- 1.48   0.000% *  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 = 6.22, residual support = 224.4:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.4073% (1.00  10.0 10.00   6.22 224.41) = 100.000%  kept
        T HG2   MET   96 - HB3   PRO   52  17.89 +/- 2.19   0.000% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  16.92 +/- 2.12   0.000% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  16.09 +/- 1.31   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  17.38 +/- 1.93   0.000% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  24.07 +/- 1.37   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 = 6.17, residual support = 224.4:
    * O T HG2   PRO   52 - HB3   PRO   52   2.44 +/- 0.23  97.693% * 99.4355% (1.00  10.0 10.00   6.17 224.41) =  99.999%  kept
          HG2   MET   92 - HB3   PRO   52   6.46 +/- 2.57   2.039% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HB3   PRO   52  10.57 +/- 2.22   0.029% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    LYS+  81   6.94 +/- 0.46   0.216% *  0.0091% (0.09   1.0  1.00   0.02   1.56) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  15.00 +/- 1.85   0.003% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  18.18 +/- 1.72   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  13.53 +/- 1.44   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  12.99 +/- 2.62   0.008% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  14.12 +/- 2.23   0.004% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  23.08 +/- 1.90   0.000% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  29.06 +/- 1.61   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  19.90 +/- 1.73   0.000% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.18 +/- 1.35   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  26.31 +/- 1.80   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 = 224.4:
    * O T HG3   PRO   52 - HB3   PRO   52   2.72 +/- 0.25  98.773% * 98.1909% (1.00  10.0 10.00   6.17 224.41) =  99.996%  kept
        T HB2   PRO   93 - HB3   PRO   52   6.77 +/- 2.09   1.090% *  0.3031% (0.31   1.0 10.00   0.02   0.70) =   0.003%
        T HG2   PRO   58 - HB3   PRO   52  11.80 +/- 1.39   0.019% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  15.24 +/- 2.13   0.005% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   9.48 +/- 2.25   0.106% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  22.56 +/- 1.82   0.000% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  15.08 +/- 1.60   0.004% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  30.76 +/- 2.31   0.000% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  22.67 +/- 2.21   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  27.10 +/- 1.71   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  18.39 +/- 2.04   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.05 +/- 1.45   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  25.83 +/- 1.45   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  39.68 +/- 2.39   0.000% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  33.15 +/- 3.08   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  28.98 +/- 0.86   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 = 6.68, residual support = 224.4:
    * O T HD2   PRO   52 - HB3   PRO   52   3.91 +/- 0.08  55.595% * 97.9761% (1.00  10.0 10.00   6.68 224.41) =  99.996%  kept
          HB2   SER   82 - QB    LYS+  81   4.48 +/- 0.29  26.138% *  0.0038% (0.04   1.0  1.00   0.02  19.14) =   0.002%
          QB    SER   85 - QB    LYS+  81   5.04 +/- 0.75  17.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB3   PRO   52  11.39 +/- 1.30   0.121% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  81   8.15 +/- 0.67   0.739% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  81  14.37 +/- 1.67   0.033% *  0.1124% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81  10.97 +/- 1.76   0.321% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   PRO   52  16.11 +/- 2.17   0.016% *  0.0904% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   PRO   52  17.36 +/- 1.72   0.009% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  29.85 +/- 1.70   0.000% *  0.9268% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QB    LYS+  81  21.36 +/- 2.26   0.002% *  0.1063% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  18.25 +/- 1.96   0.006% *  0.0280% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  21.65 +/- 1.67   0.002% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  20.20 +/- 1.39   0.003% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  28.93 +/- 1.37   0.000% *  0.2443% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  21.79 +/- 1.85   0.002% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  20.87 +/- 1.79   0.003% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  30.96 +/- 1.47   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  26.30 +/- 1.72   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  23.25 +/- 1.92   0.001% *  0.0173% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  19.44 +/- 0.60   0.004% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  25.20 +/- 0.88   0.001% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  26.15 +/- 0.60   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  28.91 +/- 1.26   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.70 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 224.4:
    * O T HA    PRO   52 - HG2   PRO   52   3.93 +/- 0.05  94.604% * 99.8323% (1.00  10.0 10.00   5.98 224.41) =  99.998%  kept
          HA    ALA   91 - HG2   PRO   52   7.70 +/- 2.05   4.678% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HG2   PRO   52  10.57 +/- 2.42   0.659% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   52  14.29 +/- 2.16   0.056% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  22.27 +/- 1.37   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 = 224.4:
    * O T HB2   PRO   52 - HG2   PRO   52   2.76 +/- 0.27  99.997% * 99.5699% (1.00  10.0 10.00   6.10 224.41) = 100.000%  kept
        T HG2   MET   96 - HG2   PRO   52  18.23 +/- 2.02   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG2   PRO   52  17.75 +/- 1.10   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 224.4:
    * O T HB3   PRO   52 - HG2   PRO   52   2.44 +/- 0.23  97.066% * 99.2796% (1.00  10.0 10.00   6.17 224.41) =  99.999%  kept
          HG2   PRO   93 - HG2   PRO   52   6.12 +/- 2.54   2.777% *  0.0306% (0.31   1.0  1.00   0.02   0.70) =   0.001%
          HG2   ARG+  54 - HG2   PRO   52   8.50 +/- 0.81   0.067% *  0.0373% (0.38   1.0  1.00   0.02   1.75) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  10.25 +/- 2.38   0.085% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  15.00 +/- 1.85   0.003% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  20.14 +/- 1.02   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  22.41 +/- 1.65   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  20.28 +/- 1.85   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  23.75 +/- 1.78   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  23.24 +/- 1.56   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  23.37 +/- 1.80   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  27.43 +/- 1.98   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.14 +/- 1.25   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  25.01 +/- 1.53   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 = 224.4:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.954% * 98.7160% (1.00  10.0 10.00   5.99 224.41) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   7.41 +/- 2.12   0.045% *  0.0305% (0.31   1.0  1.00   0.02   0.70) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  13.57 +/- 1.25   0.001% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  21.65 +/- 2.24   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  31.13 +/- 2.23   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  28.38 +/- 1.35   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  26.89 +/- 1.51   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  40.12 +/- 2.67   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 = 6.51, residual support = 224.4:
    * O T HD2   PRO   52 - HG2   PRO   52   2.55 +/- 0.28  99.955% * 99.4673% (1.00  10.0 10.00   6.51 224.41) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52  10.15 +/- 1.27   0.033% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  14.61 +/- 2.31   0.006% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  15.90 +/- 1.82   0.003% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  20.27 +/- 1.92   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  22.87 +/- 1.35   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  20.72 +/- 1.22   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  22.77 +/- 1.74   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.82 +/- 1.74   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  27.18 +/- 1.50   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  28.56 +/- 1.39   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  31.08 +/- 1.37   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 = 224.4:
    * O T HA    PRO   52 - HG3   PRO   52   3.92 +/- 0.05  92.867% * 98.8988% (1.00  10.0 10.00   5.97 224.41) =  99.995%  kept
        T HA    PRO   52 - HG2   PRO   58  10.66 +/- 1.24   0.302% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HG3   PRO   52   8.06 +/- 2.67   5.860% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HG3   PRO   52  10.61 +/- 2.63   0.561% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   PRO   58  11.22 +/- 2.15   0.273% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  14.40 +/- 2.52   0.055% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   58  13.61 +/- 1.35   0.064% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  17.86 +/- 0.94   0.011% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  22.36 +/- 2.18   0.003% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  22.38 +/- 1.07   0.003% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.34 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 224.4:
    * O T HB2   PRO   52 - HG3   PRO   52   2.46 +/- 0.27  99.155% * 98.4337% (1.00  10.0 10.00   6.10 224.41) = 100.000%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.01 +/- 0.78   0.832% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - HG2   PRO   58  11.99 +/- 0.92   0.010% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  18.40 +/- 2.79   0.001% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  18.88 +/- 0.99   0.001% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  17.66 +/- 0.87   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 = 224.4:
    * O T HB3   PRO   52 - HG3   PRO   52   2.72 +/- 0.25  96.255% * 97.4419% (1.00  10.0 10.00   6.17 224.41) =  99.989%  kept
        T HG2   PRO   93 - HG3   PRO   52   6.32 +/- 2.91   3.325% *  0.3008% (0.31   1.0 10.00   0.02   0.70) =   0.011%
        T HB3   PRO   52 - HG2   PRO   58  11.80 +/- 1.39   0.019% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG2   PRO   58  10.60 +/- 1.27   0.042% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.56 +/- 0.51   0.121% *  0.0366% (0.38   1.0  1.00   0.02   1.75) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58  10.12 +/- 1.89   0.085% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  10.75 +/- 2.63   0.092% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  10.64 +/- 0.97   0.035% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  15.24 +/- 2.13   0.005% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  13.63 +/- 1.58   0.010% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  17.49 +/- 1.94   0.002% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.50 +/- 1.40   0.002% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.56 +/- 1.82   0.000% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  20.05 +/- 1.18   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  22.55 +/- 2.25   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  21.08 +/- 0.97   0.001% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  23.70 +/- 1.63   0.000% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  22.24 +/- 0.96   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  20.34 +/- 2.18   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  23.31 +/- 2.19   0.000% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  23.52 +/- 2.38   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  23.31 +/- 0.96   0.000% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.76 +/- 0.95   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.28 +/- 0.67   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  27.34 +/- 1.91   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.17 +/- 1.79   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  23.55 +/- 1.14   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  25.13 +/- 1.99   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 0.10 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.984, support = 5.96, residual support = 223.0:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  86.377% * 86.8129% (1.00  10.0 10.00   5.99 224.41) =  98.140%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.47 +/- 0.28  13.102% * 10.8440% (0.12  10.0 10.00   4.26 146.67) =   1.859%  kept
          HG2   MET   92 - HG3   PRO   52   5.88 +/- 3.03   0.517% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  13.57 +/- 1.25   0.000% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  11.01 +/- 1.42   0.002% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  12.12 +/- 2.26   0.001% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.09 +/- 0.89   0.000% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  17.08 +/- 2.57   0.000% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  16.01 +/- 1.83   0.000% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  21.54 +/- 1.53   0.000% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  30.67 +/- 1.67   0.000% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  34.43 +/- 1.70   0.000% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.24 +/- 2.67   0.000% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.81 +/- 1.35   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 = 6.51, residual support = 224.4:
    * O T HD2   PRO   52 - HG3   PRO   52   2.61 +/- 0.28  99.909% * 96.1754% (1.00  10.0 10.00   6.51 224.41) = 100.000%  kept
        T HD2   PRO   52 - HG2   PRO   58  13.17 +/- 1.15   0.008% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   PRO   52  10.26 +/- 1.26   0.043% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  12.67 +/- 0.59   0.010% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  15.80 +/- 2.49   0.007% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  15.00 +/- 2.65   0.004% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  13.63 +/- 1.79   0.008% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  16.19 +/- 2.15   0.002% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  15.03 +/- 1.17   0.004% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  28.52 +/- 0.83   0.000% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  29.91 +/- 2.35   0.000% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  18.51 +/- 1.25   0.001% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  22.73 +/- 1.69   0.000% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  20.49 +/- 2.44   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  28.42 +/- 0.95   0.000% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  28.66 +/- 2.22   0.000% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  24.56 +/- 0.95   0.000% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  20.67 +/- 1.74   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  28.05 +/- 0.80   0.000% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  24.20 +/- 1.01   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  31.13 +/- 2.02   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  22.73 +/- 1.56   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  27.06 +/- 1.75   0.000% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  27.52 +/- 1.72   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   3.00 +/- 0.04  98.240% * 99.5207% (1.00  10.0 10.00   2.96  44.11) =  99.999%  kept
          HD3   PRO   52 - HA    CYS   53   6.29 +/- 0.04   1.170% *  0.0684% (0.69   1.0  1.00   0.02  54.15) =   0.001%
          HD2   PRO   58 - HA    CYS   53   7.48 +/- 1.18   0.586% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    CYS   53  20.33 +/- 1.40   0.001% *  0.1970% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  18.33 +/- 1.40   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  23.41 +/- 1.14   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.49 +/- 1.49   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   2.58 +/- 0.13  86.116% * 99.5685% (1.00  10.0 10.00   3.28  44.11) =  99.985%  kept
          HD3   PRO   93 - HA    CYS   53   4.22 +/- 1.15   9.250% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.010%
          QB    PHE   55 - HA    CYS   53   4.40 +/- 0.42   4.222% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HA    CYS   53   7.74 +/- 0.78   0.271% *  0.0987% (0.99   1.0  1.00   0.02  31.60) =   0.000%
          HB2   PHE   59 - HA    CYS   53   8.13 +/- 1.41   0.141% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    CYS   53  20.80 +/- 1.14   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   3.00 +/- 0.04  99.989% * 98.9901% (1.00  10.0 10.00   2.96  44.11) = 100.000%  kept
        T HA    SER   82 - HB2   CYS   53  18.18 +/- 1.67   0.003% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB2   CYS   53  23.18 +/- 1.44   0.001% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   CYS   53  17.76 +/- 1.35   0.003% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  16.63 +/- 1.45   0.004% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  22.60 +/- 1.26   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 = 3.34, residual support = 44.1:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.295% * 99.5685% (1.00  10.0 10.00   3.34  44.11) =  99.999%  kept
          HD2   ARG+  54 - HB2   CYS   53   6.73 +/- 1.05   0.472% *  0.0987% (0.99   1.0  1.00   0.02  31.60) =   0.000%
          HD3   PRO   93 - HB2   CYS   53   5.39 +/- 0.79   0.175% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   CYS   53   6.19 +/- 0.33   0.054% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   CYS   53  10.18 +/- 1.40   0.004% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  22.11 +/- 1.09   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   2.58 +/- 0.13  99.995% * 99.7562% (1.00  10.0 10.00   3.28  44.11) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  18.00 +/- 1.54   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  15.93 +/- 1.60   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  17.73 +/- 1.46   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  22.88 +/- 1.85   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  22.47 +/- 1.62   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 = 3.34, residual support = 44.1:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.901% * 99.6975% (1.00  10.0 10.00   3.34  44.11) = 100.000%  kept
          HD3   PRO   52 - HB3   CYS   53   5.72 +/- 0.49   0.093% *  0.0685% (0.69   1.0  1.00   0.02  54.15) =   0.000%
          HD2   PRO   58 - HB3   CYS   53   9.21 +/- 1.39   0.006% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  16.86 +/- 1.37   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  22.93 +/- 1.53   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  18.59 +/- 1.38   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.92 +/- 1.74   0.000% *  0.0410% (0.41   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 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 = 168.9:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.80 +/- 0.08  96.595% * 98.6035% (1.00  10.0 10.00   5.73 168.93) =  99.999%  kept
          HB    ILE  119 - HA    LEU  115   5.65 +/- 0.88   2.082% *  0.0263% (0.27   1.0  1.00   0.02   9.06) =   0.001%
          HB2   PRO   93 - HA    ARG+  54   7.55 +/- 1.08   0.410% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LEU  115   8.83 +/- 2.25   0.782% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LEU  115   8.74 +/- 0.52   0.114% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.64 +/- 1.36   0.006% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  15.80 +/- 0.88   0.003% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  16.13 +/- 1.45   0.003% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  21.94 +/- 1.52   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  26.17 +/- 2.18   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  22.58 +/- 2.02   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  20.86 +/- 1.47   0.001% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.02 +/- 1.77   0.002% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  22.13 +/- 2.26   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.49 +/- 1.89   0.000% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  23.21 +/- 0.96   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  27.04 +/- 2.13   0.000% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  30.20 +/- 1.47   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  35.08 +/- 2.03   0.000% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  35.26 +/- 2.21   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 0.16 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 168.9:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.57 +/- 0.60  95.552% * 96.1276% (1.00  10.0 10.00   5.69 168.93) =  99.998%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.73 +/- 0.35   0.294% *  0.3608% (0.38   1.0 10.00   0.02   1.75) =   0.001%
          HB    ILE   56 - HA    ARG+  54   6.54 +/- 0.50   1.027% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   7.35 +/- 1.35   2.658% *  0.0122% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  16.77 +/- 2.42   0.008% *  0.8338% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  12.06 +/- 2.11   0.050% *  0.1110% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   8.24 +/- 1.15   0.202% *  0.0247% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LEU  115   8.67 +/- 2.05   0.127% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  15.14 +/- 1.50   0.008% *  0.2958% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  17.01 +/- 2.66   0.005% *  0.2932% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  15.44 +/- 1.91   0.015% *  0.0887% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  23.11 +/- 1.52   0.000% *  0.9528% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.99 +/- 1.08   0.034% *  0.0111% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  16.25 +/- 0.67   0.003% *  0.0803% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.52 +/- 1.55   0.005% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  22.01 +/- 1.26   0.000% *  0.2566% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  20.05 +/- 1.37   0.001% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  23.79 +/- 1.33   0.000% *  0.0928% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  19.78 +/- 1.58   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  24.60 +/- 1.25   0.000% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  15.17 +/- 1.54   0.006% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  20.73 +/- 1.51   0.001% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  21.65 +/- 1.33   0.001% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  22.00 +/- 1.46   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  23.24 +/- 1.37   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.10 +/- 1.48   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  23.54 +/- 1.99   0.000% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  30.79 +/- 1.38   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 0.13 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 5.44, residual support = 158.9:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.86 +/- 0.78  62.916% * 72.3287% (1.00 10.00   5.53 168.93) =  93.399%  kept
          QB    PHE   55 - HA    ARG+  54   5.09 +/- 0.14  14.234% * 12.2824% (0.80  1.00   4.24   3.62) =   3.588%  kept
          HB3   CYS   53 - HA    ARG+  54   5.37 +/- 0.38   9.829% * 14.9098% (0.99  1.00   4.16  31.60) =   3.008%  kept
          HB2   PHE   59 - HA    LEU  115   6.12 +/- 1.07  10.004% *  0.0117% (0.16  1.00   0.02  30.07) =   0.002%
          HD3   PRO   93 - HA    ARG+  54   8.04 +/- 0.92   0.988% *  0.0649% (0.90  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HA    LEU  115   9.16 +/- 1.35   1.153% *  0.0178% (0.25  1.00   0.02   5.02) =   0.000%
          HB2   PHE   59 - HA    ARG+  54   9.18 +/- 1.07   0.531% *  0.0381% (0.53  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    LEU  115  10.95 +/- 1.61   0.212% *  0.0200% (0.28  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  16.21 +/- 1.61   0.014% *  0.2226% (0.31 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  12.60 +/- 1.57   0.091% *  0.0221% (0.30  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  15.54 +/- 1.74   0.024% *  0.0193% (0.27  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  21.20 +/- 1.24   0.003% *  0.0627% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 168.9:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.80 +/- 0.08  99.972% * 98.5625% (1.00  10.0 10.00   5.73 168.93) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.64 +/- 1.36   0.006% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  18.27 +/- 2.79   0.003% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  14.27 +/- 1.49   0.007% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.76 +/- 1.21   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  26.17 +/- 2.18   0.000% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  17.14 +/- 1.51   0.002% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  27.04 +/- 2.13   0.000% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  26.11 +/- 1.79   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  18.83 +/- 1.50   0.001% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  20.18 +/- 4.50   0.002% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  27.99 +/- 1.50   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  20.01 +/- 3.89   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  28.64 +/- 1.72   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  25.42 +/- 2.60   0.000% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  35.08 +/- 2.03   0.000% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  25.76 +/- 4.28   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  30.83 +/- 2.24   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  35.26 +/- 2.21   0.000% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  34.96 +/- 1.80   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  23.71 +/- 2.66   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  27.75 +/- 1.85   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  30.64 +/- 2.95   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  29.30 +/- 4.37   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  36.18 +/- 3.58   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  31.31 +/- 2.01   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  39.21 +/- 2.35   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 = 1.0, support = 4.93, residual support = 168.9:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.41 +/- 0.33  97.084% * 97.3460% (1.00  10.0 10.00   4.93 168.93) =  99.997%  kept
          QB    PHE   55 - HB2   ARG+  54   4.68 +/- 0.31   2.485% *  0.0779% (0.80   1.0  1.00   0.02   3.62) =   0.002%
        T HD3   PRO   93 - HB2   ARG+  54   9.07 +/- 0.92   0.056% *  0.8730% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HB2   ARG+  54   6.77 +/- 0.72   0.357% *  0.0965% (0.99   1.0  1.00   0.02  31.60) =   0.000%
          HB2   PHE   59 - HB2   ARG+  54  10.89 +/- 1.05   0.016% *  0.0512% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  15.88 +/- 1.53   0.002% *  0.1242% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  23.19 +/- 1.47   0.000% *  0.8444% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  22.24 +/- 2.22   0.000% *  0.0816% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  28.62 +/- 2.87   0.000% *  0.1432% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  28.99 +/- 2.14   0.000% *  0.1284% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  23.41 +/- 1.64   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  25.89 +/- 1.97   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  26.82 +/- 2.43   0.000% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  37.42 +/- 2.54   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  38.01 +/- 2.73   0.000% *  0.0844% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  33.73 +/- 2.08   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  31.96 +/- 1.95   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  35.83 +/- 2.78   0.000% *  0.0093% (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 = 5.53, residual support = 168.9:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.86 +/- 0.78  99.920% * 99.0328% (1.00 10.00   5.53 168.93) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  16.21 +/- 1.61   0.031% *  0.6007% (0.61 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  18.73 +/- 2.96   0.036% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  19.34 +/- 1.42   0.010% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  26.98 +/- 2.04   0.001% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  29.23 +/- 1.81   0.001% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  29.62 +/- 2.16   0.001% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  32.12 +/- 2.33   0.000% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  35.89 +/- 2.20   0.000% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 168.9:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.41 +/- 0.33  99.978% * 97.9068% (1.00  10.0 10.00   4.93 168.93) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  10.86 +/- 1.20   0.020% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  25.59 +/- 2.68   0.000% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  18.85 +/- 1.07   0.001% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  18.92 +/- 1.73   0.001% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  25.11 +/- 2.21   0.000% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  28.62 +/- 2.87   0.000% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  26.13 +/- 1.46   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  37.42 +/- 2.54   0.000% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  33.72 +/- 2.10   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 = 4.77, residual support = 168.9:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.85 +/- 0.12  99.781% * 97.2335% (1.00  10.0 10.00   4.77 168.93) =  99.999%  kept
        T HB3   PRO   52 - HD2   ARG+  54   9.11 +/- 0.82   0.112% *  0.3649% (0.38   1.0 10.00   0.02   1.75) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  17.98 +/- 3.12   0.010% *  0.8434% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   ARG+  54   9.52 +/- 0.96   0.087% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  16.74 +/- 2.50   0.008% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  26.10 +/- 2.12   0.000% *  0.9637% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  19.25 +/- 0.93   0.001% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.43 +/- 1.77   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  26.61 +/- 2.04   0.000% *  0.0938% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  23.39 +/- 1.91   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  28.04 +/- 1.56   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  25.14 +/- 2.16   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  26.72 +/- 1.76   0.000% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  34.24 +/- 2.09   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 = 3.52, residual support = 20.2:
    * O T QB    PHE   55 - HA    PHE   55   2.51 +/- 0.08  98.973% * 99.2105% (1.00  10.0 10.00   3.52  20.22) =  99.999%  kept
          HD2   ARG+  54 - HA    PHE   55   5.95 +/- 0.63   0.735% *  0.0794% (0.80   1.0  1.00   0.02   3.62) =   0.001%
          HB2   PHE   59 - HA    PHE   55   8.00 +/- 0.91   0.117% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   55   8.10 +/- 0.24   0.091% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   55   9.15 +/- 1.03   0.061% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  16.46 +/- 0.96   0.001% *  0.2335% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.29 +/- 1.10   0.009% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  12.32 +/- 1.28   0.009% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  20.69 +/- 2.13   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.89 +/- 0.54   0.002% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  16.31 +/- 1.64   0.002% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  21.58 +/- 1.81   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 = 3.52, residual support = 20.2:
    * O T HA    PHE   55 - QB    PHE   55   2.51 +/- 0.08  97.479% * 99.2581% (1.00  10.0 10.00   3.52  20.22) =  99.998%  kept
          HA    ALA  110 - QB    PHE   55   6.63 +/- 3.55   2.515% *  0.0861% (0.87   1.0  1.00   0.02   0.20) =   0.002%
        T HA    VAL   42 - QB    PHE   55  16.46 +/- 0.96   0.001% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    PHE   55  14.18 +/- 1.72   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 = 4.5, residual support = 123.4:
    * O T HB    ILE   56 - HA    ILE   56   2.54 +/- 0.20  99.314% * 98.8500% (1.00  10.0 10.00   4.50 123.40) =  99.997%  kept
        T HB3   PRO   58 - HA    ILE   56   6.54 +/- 1.25   0.552% *  0.4812% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HA    ILE   56   8.12 +/- 0.80   0.105% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  11.69 +/- 1.58   0.016% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  13.13 +/- 1.26   0.008% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  15.39 +/- 1.42   0.003% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  17.82 +/- 1.53   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  19.65 +/- 1.94   0.001% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  21.65 +/- 1.20   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  19.20 +/- 1.62   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  22.81 +/- 1.19   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  21.28 +/- 1.03   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  27.64 +/- 1.26   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 = 4.71, residual support = 123.4:
    * O   QG2   ILE   56 - HA    ILE   56   2.89 +/- 0.34  99.934% * 98.4757% (1.00  10.0  1.00   4.71 123.40) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  11.89 +/- 1.15   0.033% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  12.22 +/- 1.28   0.026% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  19.08 +/- 1.07   0.002% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  18.68 +/- 1.15   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  28.82 +/- 1.40   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  23.30 +/- 1.66   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.01 +/- 1.22   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  19.23 +/- 1.15   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  20.63 +/- 1.61   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 = 123.4:
    * O T QG1   ILE   56 - HA    ILE   56   2.83 +/- 0.39  99.885% * 97.9351% (1.00  10.0 10.00   3.76 123.40) = 100.000%  kept
        T QD    LYS+ 106 - HA    ILE   56  14.03 +/- 1.44   0.009% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  10.46 +/- 1.45   0.097% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  22.17 +/- 1.22   0.001% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  20.72 +/- 1.21   0.001% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  16.45 +/- 1.25   0.004% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  17.00 +/- 1.33   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 0.09 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 123.4:
    * O T HA    ILE   56 - HB    ILE   56   2.54 +/- 0.20  99.782% * 98.4172% (1.00  10.0 10.00   4.50 123.40) =  99.999%  kept
        T HA    PRO   58 - HB    ILE   56   7.77 +/- 1.02   0.193% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB    ILE   56  10.64 +/- 1.33   0.023% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  17.31 +/- 1.83   0.001% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  21.21 +/- 1.16   0.000% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  20.44 +/- 1.29   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  26.54 +/- 1.42   0.000% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  22.01 +/- 1.02   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  28.64 +/- 1.33   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 = 5.53, residual support = 123.4:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.02  99.986% * 98.4757% (1.00  10.0 10.00   5.53 123.40) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56  10.71 +/- 1.26   0.008% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  11.74 +/- 1.50   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  18.47 +/- 1.16   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.46 +/- 1.11   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  28.22 +/- 1.50   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  22.63 +/- 1.57   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.35 +/- 1.60   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.16 +/- 1.54   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  20.22 +/- 1.54   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 = 4.51, residual support = 123.4:
    * O T QG1   ILE   56 - HB    ILE   56   2.28 +/- 0.11  99.923% * 98.7886% (1.00  10.0 10.00   4.51 123.40) = 100.000%  kept
        T QD    LYS+ 106 - HB    ILE   56  12.68 +/- 1.34   0.004% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    ILE   56   8.69 +/- 1.78   0.070% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  14.88 +/- 1.67   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  20.16 +/- 1.02   0.000% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  16.33 +/- 1.57   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  21.38 +/- 1.01   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 = 5.53, residual support = 123.4:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.02  99.680% * 98.4311% (1.00  10.0 10.00   5.53 123.40) = 100.000%  kept
          HG2   ARG+  54 - QG2   ILE   56   6.70 +/- 0.84   0.149% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG2   ILE   56   7.88 +/- 1.60   0.086% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   7.36 +/- 0.57   0.062% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   9.65 +/- 1.15   0.015% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  12.93 +/- 1.25   0.002% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  12.11 +/- 1.03   0.003% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  14.65 +/- 1.46   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  22.16 +/- 1.23   0.000% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  16.52 +/- 1.76   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  16.34 +/- 1.54   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  16.29 +/- 0.91   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  17.94 +/- 1.57   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 = 4.71, residual support = 123.4:
    * O T QG1   ILE   56 - QG2   ILE   56   2.26 +/- 0.22  99.791% * 98.7886% (1.00  10.0 10.00   4.71 123.40) = 100.000%  kept
        T QD    LYS+ 106 - QG2   ILE   56  10.47 +/- 1.11   0.013% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG2   ILE   56   6.91 +/- 1.32   0.182% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  11.57 +/- 1.57   0.007% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  16.63 +/- 1.00   0.001% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  12.75 +/- 1.96   0.005% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  17.57 +/- 1.14   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 = 123.4:
    * O T HA    ILE   56 - QG1   ILE   56   2.83 +/- 0.39  98.600% * 98.1263% (1.00  10.0 10.00   3.76 123.40) =  99.998%  kept
        T HA    ASP- 113 - QG1   ILE   56   9.25 +/- 1.22   0.174% *  0.6348% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG1   ILE   56   6.46 +/- 0.76   1.208% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  17.47 +/- 0.97   0.002% *  0.9282% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  14.33 +/- 1.02   0.009% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  16.78 +/- 0.89   0.003% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  22.30 +/- 1.05   0.001% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  18.54 +/- 0.83   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  24.50 +/- 1.14   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 0.05 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.51, residual support = 123.4:
    * O T HB    ILE   56 - QG1   ILE   56   2.28 +/- 0.11  99.713% * 98.6066% (1.00  10.0 10.00   4.51 123.40) = 100.000%  kept
        T QB    LYS+ 106 - QG1   ILE   56   9.51 +/- 1.09   0.027% *  0.7536% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG1   ILE   56   7.21 +/- 0.71   0.160% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG1   ILE   56   9.02 +/- 0.83   0.037% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   8.52 +/- 1.04   0.050% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  11.56 +/- 1.09   0.007% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  14.86 +/- 0.62   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  16.61 +/- 1.20   0.001% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  17.56 +/- 1.05   0.001% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  16.22 +/- 1.73   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  16.53 +/- 0.77   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  18.84 +/- 0.96   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  22.73 +/- 0.98   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 = 4.71, residual support = 123.4:
    * O T QG2   ILE   56 - QG1   ILE   56   2.26 +/- 0.22  99.947% * 98.4757% (1.00  10.0 10.00   4.71 123.40) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56   9.75 +/- 0.53   0.019% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56   9.85 +/- 1.23   0.029% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  15.35 +/- 0.86   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.30 +/- 0.88   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  18.71 +/- 1.32   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  23.73 +/- 1.13   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  16.84 +/- 1.23   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.07 +/- 1.28   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  16.70 +/- 1.25   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 = 0.933, support = 6.6, residual support = 143.9:
    * O T HA    PRO   58 - HD2   PRO   58   3.82 +/- 0.07  50.704% * 97.5355% (0.95  10.0 10.00   6.70 146.67) =  98.110%  kept
          HA    ILE   56 - HD2   PRO   58   4.04 +/- 1.10  49.157% *  1.9380% (0.26   1.0  1.00   1.43   0.02) =   1.890%  kept
          HA    THR   46 - HD2   PRO   58  10.84 +/- 1.00   0.109% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  15.17 +/- 1.09   0.014% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  17.41 +/- 1.57   0.009% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  20.65 +/- 1.03   0.002% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  21.95 +/- 1.08   0.002% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  26.85 +/- 1.63   0.000% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  23.15 +/- 1.27   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  28.99 +/- 0.94   0.000% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  28.08 +/- 1.05   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 0.02 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   4.01 +/- 0.21  99.326% * 99.3830% (0.95  10.0 10.00   6.91 146.67) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  11.51 +/- 1.73   0.496% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  12.00 +/- 1.19   0.159% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  17.83 +/- 1.54   0.017% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  27.96 +/- 1.49   0.001% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  29.29 +/- 1.58   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 = 6.88, residual support = 145.4:
    * O T HB3   PRO   58 - HD2   PRO   58   3.68 +/- 0.23  84.766% * 91.8975% (0.79  10.0 10.00   6.93 146.67) =  99.130%  kept
          HB    ILE   56 - HD2   PRO   58   5.63 +/- 1.01  12.084% *  5.6520% (0.79   1.0  1.00   1.23   0.02) =   0.869%  kept
          HG2   ARG+  54 - HD2   PRO   58   7.77 +/- 1.97   3.078% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HD2   PRO   58  14.36 +/- 0.98   0.030% *  0.1062% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HD2   PRO   58  21.95 +/- 1.13   0.002% *  1.1002% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   PRO   58  15.40 +/- 1.07   0.019% *  0.0452% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   PRO   58  28.20 +/- 1.22   0.000% *  1.0408% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  17.38 +/- 1.40   0.010% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  20.67 +/- 2.02   0.004% *  0.0413% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  19.87 +/- 1.06   0.004% *  0.0340% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  22.88 +/- 0.79   0.002% *  0.0274% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  33.53 +/- 1.98   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 0.19 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 146.7:
    * O T HG2   PRO   58 - HD2   PRO   58   2.82 +/- 0.22  99.851% * 98.7160% (0.95  10.0 10.00   6.61 146.67) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  11.98 +/- 0.95   0.022% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   9.06 +/- 0.94   0.125% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  19.64 +/- 1.64   0.001% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  24.41 +/- 1.89   0.000% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  24.11 +/- 1.78   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  33.00 +/- 2.09   0.000% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  25.39 +/- 0.88   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   6.25 146.67) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  12.18 +/- 1.18   0.012% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  16.68 +/- 1.20   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  14.75 +/- 1.12   0.003% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.00 +/- 1.33   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  28.20 +/- 1.69   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 = 6.17, residual support = 146.7:
    * O T HB3   PRO   58 - HA    PRO   58   2.41 +/- 0.19  99.832% * 98.4544% (0.84  10.0 10.00   6.17 146.67) =  99.999%  kept
        T HB    ILE   56 - HA    PRO   58   7.77 +/- 1.02   0.139% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    PRO   58  10.38 +/- 1.19   0.024% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  16.45 +/- 0.79   0.001% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  15.52 +/- 0.92   0.002% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  20.12 +/- 1.39   0.000% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  16.61 +/- 1.17   0.001% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  21.51 +/- 1.91   0.000% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  25.72 +/- 1.01   0.000% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  20.69 +/- 0.81   0.000% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  21.91 +/- 1.10   0.000% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  30.22 +/- 1.98   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  99.648% * 98.7160% (1.00  10.0 10.00   5.98 146.67) =  99.999%  kept
        T HG3   PRO   52 - HA    PRO   58  14.69 +/- 0.87   0.042% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    PRO   58  10.74 +/- 0.66   0.276% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  16.44 +/- 1.22   0.022% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  21.21 +/- 1.98   0.005% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  29.67 +/- 2.13   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  23.67 +/- 0.95   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  23.60 +/- 1.81   0.003% *  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   3.82 +/- 0.07  99.782% * 98.5403% (0.95  10.0 10.00   6.70 146.67) = 100.000%  kept
          HB2   CYS   53 - HA    PRO   58  10.89 +/- 1.06   0.214% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  24.87 +/- 1.23   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  25.15 +/- 0.88   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  24.15 +/- 1.57   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 0.10 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  99.049% * 99.4356% (1.00  10.0 10.00   6.25 146.67) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   6.25 +/- 1.21   0.932% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  13.59 +/- 1.48   0.007% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  13.62 +/- 0.72   0.005% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  14.85 +/- 1.90   0.005% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  19.11 +/- 1.34   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  20.94 +/- 1.05   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  25.14 +/- 1.85   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  22.25 +/- 1.25   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  27.67 +/- 0.92   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  27.35 +/- 0.93   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 = 4.45, residual support = 146.7:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.970% * 98.9371% (0.84  10.0 10.00   4.45 146.67) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   7.89 +/- 1.34   0.027% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  11.18 +/- 1.62   0.003% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  17.21 +/- 0.89   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  23.08 +/- 1.90   0.000% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  16.05 +/- 1.24   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  22.16 +/- 1.27   0.000% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  16.82 +/- 1.67   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  26.83 +/- 1.25   0.000% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  23.07 +/- 0.96   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  22.36 +/- 0.73   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  31.74 +/- 2.13   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  99.984% * 98.7160% (1.00  10.0 10.00   4.26 146.67) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.09 +/- 0.89   0.003% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  11.66 +/- 0.76   0.011% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.11 +/- 1.53   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  23.02 +/- 2.06   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  31.19 +/- 2.34   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  25.37 +/- 0.80   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  25.66 +/- 1.70   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   4.01 +/- 0.21  99.840% * 98.5403% (0.95  10.0 10.00   6.91 146.67) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  12.01 +/- 1.14   0.155% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  26.04 +/- 1.30   0.002% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  26.43 +/- 1.01   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  25.84 +/- 1.44   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 = 6.17, residual support = 146.7:
    * O T HA    PRO   58 - HB3   PRO   58   2.41 +/- 0.19  99.591% * 99.1888% (0.84  10.0 10.00   6.17 146.67) =  99.999%  kept
        T HA    ILE   56 - HB3   PRO   58   6.54 +/- 1.25   0.397% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   PRO   58  13.51 +/- 1.47   0.005% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   58  13.55 +/- 0.82   0.004% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  15.56 +/- 1.71   0.002% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  19.10 +/- 1.45   0.001% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  21.41 +/- 1.14   0.000% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  25.04 +/- 1.96   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  22.78 +/- 1.22   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  27.96 +/- 1.16   0.000% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  27.71 +/- 1.14   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 = 4.45, 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   4.45 146.67) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58  11.59 +/- 1.55   0.002% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  17.98 +/- 1.33   0.000% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  15.32 +/- 1.07   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  27.51 +/- 1.46   0.000% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  30.34 +/- 1.74   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 = 4.19, residual support = 146.7:
    * O T HG2   PRO   58 - HB3   PRO   58   2.79 +/- 0.28  99.971% * 97.0168% (0.84  10.0 10.00   4.19 146.67) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  15.24 +/- 0.73   0.004% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  11.86 +/- 0.76   0.022% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  22.89 +/- 2.15   0.000% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.39 +/- 1.83   0.002% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  31.13 +/- 2.41   0.000% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  25.52 +/- 1.04   0.000% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  25.64 +/- 1.82   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 = 6.93, residual support = 146.7:
    * O T HD2   PRO   58 - HB3   PRO   58   3.68 +/- 0.23  99.882% * 98.5403% (0.79  10.0 10.00   6.93 146.67) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  11.89 +/- 1.37   0.115% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  26.52 +/- 1.36   0.001% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  26.84 +/- 1.18   0.001% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  25.93 +/- 1.63   0.001% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 146.6:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  51.412% * 98.1964% (1.00  10.0 10.00   5.98 146.67) =  99.973%  kept
          HA    ILE   56 - HG2   PRO   58   4.46 +/- 1.67  46.964% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.025%
          HA    THR   46 - HG3   PRO   52   8.34 +/- 1.80   1.277% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   58 - HG3   PRO   52  14.69 +/- 0.87   0.023% *  0.7950% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG3   PRO   52  10.13 +/- 0.83   0.227% *  0.0221% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HG2   PRO   58  12.86 +/- 0.86   0.046% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  15.34 +/- 1.28   0.019% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  15.51 +/- 1.63   0.019% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  20.80 +/- 1.16   0.003% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  21.56 +/- 1.02   0.002% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  23.01 +/- 1.89   0.002% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  26.97 +/- 1.70   0.001% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  26.17 +/- 1.87   0.001% *  0.0767% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  27.60 +/- 1.94   0.001% *  0.0793% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.70 +/- 1.19   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  25.42 +/- 1.30   0.001% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  28.82 +/- 0.97   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  33.95 +/- 2.24   0.000% *  0.0793% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  28.06 +/- 0.98   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  26.70 +/- 2.09   0.001% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.93 +/- 1.67   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  31.20 +/- 2.07   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 = 181.8:
    * O T HB2   PRO   58 - HG2   PRO   58   2.47 +/- 0.28  13.171% * 87.8577% (1.00  10.0 10.00   4.26 146.67) =  54.842%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  86.822% * 10.9746% (0.12  10.0 10.00   5.99 224.41) =  45.157%  kept
          HB2   GLN  116 - HG2   PRO   58   9.63 +/- 1.46   0.006% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.09 +/- 0.89   0.000% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  13.57 +/- 1.25   0.000% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  17.29 +/- 1.34   0.000% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  16.75 +/- 1.91   0.000% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.86 +/- 2.14   0.000% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  27.47 +/- 1.42   0.000% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.24 +/- 2.67   0.000% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  31.22 +/- 2.30   0.000% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.81 +/- 1.35   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 = 4.19, residual support = 146.7:
    * O T HB3   PRO   58 - HG2   PRO   58   2.79 +/- 0.28  91.728% * 96.9979% (0.84  10.0 10.00   4.19 146.67) =  99.992%  kept
          HB    ILE   56 - HG2   PRO   58   6.20 +/- 1.52   3.742% *  0.0970% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HB2   MET   92 - HG3   PRO   52   6.93 +/- 3.23   3.925% *  0.0907% (0.78   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE   56 - HG3   PRO   52   8.99 +/- 2.02   0.262% *  0.0785% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  10.75 +/- 2.63   0.113% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  15.24 +/- 0.73   0.004% *  0.7853% (0.68   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  15.24 +/- 2.13   0.006% *  0.3528% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.56 +/- 0.51   0.126% *  0.0145% (0.12   1.0  1.00   0.02   1.75) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58  10.12 +/- 1.89   0.072% *  0.0179% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  15.68 +/- 1.14   0.004% *  0.1121% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  15.02 +/- 2.64   0.007% *  0.0387% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.56 +/- 1.82   0.001% *  0.4358% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  15.33 +/- 1.15   0.004% *  0.0477% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.50 +/- 1.40   0.003% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  22.84 +/- 1.05   0.000% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  24.09 +/- 2.14   0.000% *  0.0940% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.76 +/- 0.95   0.000% *  0.0358% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  20.34 +/- 2.18   0.001% *  0.0165% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  27.71 +/- 1.29   0.000% *  0.1099% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.28 +/- 0.67   0.000% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  33.61 +/- 2.03   0.000% *  0.2034% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.17 +/- 1.79   0.000% *  0.0234% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  32.87 +/- 1.84   0.000% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  40.46 +/- 3.05   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 = 6.61, residual support = 146.7:
    * O T HD2   PRO   58 - HG2   PRO   58   2.82 +/- 0.22  98.162% * 98.7117% (0.95  10.0 10.00   6.61 146.67) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   52   5.98 +/- 0.75   1.770% *  0.0288% (0.28   1.0  1.00   0.02  54.15) =   0.001%
        T HD2   PRO   58 - HG3   PRO   52  11.98 +/- 0.95   0.021% *  0.7991% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58  10.86 +/- 1.49   0.044% *  0.0356% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  18.65 +/- 2.72   0.002% *  0.0828% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  25.29 +/- 1.47   0.000% *  0.1023% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  26.56 +/- 1.22   0.000% *  0.1034% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  29.88 +/- 2.23   0.000% *  0.0837% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  27.24 +/- 1.02   0.000% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  31.53 +/- 1.85   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 = 3.29, residual support = 58.5:
    * O T HB2   PHE   59 - HA    PHE   59   2.85 +/- 0.32  99.777% * 99.6348% (1.00  10.0 10.00   3.29  58.51) = 100.000%  kept
          QB    PHE   55 - HA    PHE   59   8.83 +/- 0.57   0.138% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  11.79 +/- 1.32   0.037% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  12.38 +/- 1.28   0.021% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  12.93 +/- 0.63   0.015% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  13.74 +/- 1.48   0.011% *  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 = 3.98, residual support = 58.5:
    * O T HB3   PHE   59 - HA    PHE   59   2.64 +/- 0.22  99.999% * 99.9552% (1.00  10.0 10.00   3.98  58.51) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  19.71 +/- 1.17   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 = 3.29, residual support = 58.5:
    * O T HA    PHE   59 - HB2   PHE   59   2.85 +/- 0.32  99.942% * 99.8386% (1.00  10.0 10.00   3.29  58.51) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59  10.16 +/- 1.34   0.055% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  20.98 +/- 2.04   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.59 +/- 1.29   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  24.17 +/- 1.30   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.5:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.9552% (1.00  10.0 10.00   3.44  58.51) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  17.62 +/- 1.50   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 = 3.98, residual support = 58.5:
    * O T HA    PHE   59 - HB3   PHE   59   2.64 +/- 0.22  99.947% * 99.8386% (1.00  10.0 10.00   3.98  58.51) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59   9.67 +/- 0.90   0.052% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  21.26 +/- 1.68   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.84 +/- 1.15   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  24.55 +/- 1.08   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 = 58.5:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.963% * 99.6348% (1.00  10.0 10.00   3.44  58.51) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   7.07 +/- 0.83   0.030% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  10.60 +/- 0.67   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59  10.45 +/- 1.44   0.003% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  12.44 +/- 1.46   0.001% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  13.89 +/- 1.33   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 = 71.5:
    * O T HB2   PHE   60 - HA    PHE   60   2.92 +/- 0.21  99.998% * 99.9010% (1.00  10.0 10.00   4.00  71.50) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  18.38 +/- 2.44   0.002% *  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 = 71.5:
    * O T HB3   PHE   60 - HA    PHE   60   2.63 +/- 0.27  99.964% * 99.7797% (1.00  10.0 10.00   4.00  71.50) = 100.000%  kept
          HB2   PHE   97 - HA    PHE   60  10.89 +/- 1.17   0.023% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    PHE   60  13.05 +/- 1.11   0.008% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  14.99 +/- 1.35   0.004% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  21.13 +/- 1.28   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 = 71.5:
    * O T HA    PHE   60 - HB2   PHE   60   2.92 +/- 0.21  99.906% * 99.8400% (1.00  10.0 10.00   4.00  71.50) = 100.000%  kept
          HB    THR   94 - HB2   PHE   60  10.65 +/- 0.89   0.044% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   60  13.11 +/- 0.76   0.013% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  13.34 +/- 1.05   0.012% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  13.16 +/- 1.72   0.020% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  16.32 +/- 1.08   0.004% *  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 = 71.5:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.998% * 99.7797% (1.00  10.0 10.00   4.00  71.50) = 100.000%  kept
          HB2   PHE   97 - HB2   PHE   60  13.03 +/- 1.25   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   PHE   60  14.25 +/- 1.24   0.000% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  14.76 +/- 1.45   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  22.64 +/- 1.50   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 = 71.5:
    * O T HA    PHE   60 - HB3   PHE   60   2.63 +/- 0.27  99.926% * 99.8400% (1.00  10.0 10.00   4.00  71.50) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60  10.02 +/- 0.85   0.034% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  12.81 +/- 0.91   0.009% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.65 +/- 1.42   0.009% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  13.28 +/- 1.56   0.019% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.93 +/- 1.16   0.002% *  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 = 71.5:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  71.50) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  17.54 +/- 2.12   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   2.13 +/- 0.02  99.881% * 98.4786% (1.00  10.0 10.00   2.21  17.99) = 100.000%  kept
          QG    LYS+  66 - HA    ALA   61   7.81 +/- 1.07   0.057% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  110 - HA    ALA   61  13.46 +/- 2.26   0.002% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   9.53 +/- 0.83   0.016% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61   9.21 +/- 1.25   0.026% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  11.02 +/- 1.16   0.007% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  11.50 +/- 1.41   0.006% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.87 +/- 1.47   0.004% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  13.71 +/- 0.98   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  19.02 +/- 1.78   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  17.00 +/- 1.29   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  18.54 +/- 1.81   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  23.81 +/- 1.34   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   2.13 +/- 0.02  99.623% * 98.9510% (1.00  10.0 10.00   2.21  17.99) = 100.000%  kept
          HD3   PRO   58 - QB    ALA   61   5.82 +/- 0.46   0.276% *  0.0444% (0.45   1.0  1.00   0.02   1.02) =   0.000%
          HD3   PRO   58 - QB    ALA  110   8.26 +/- 2.81   0.086% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   61 - QB    ALA  110  13.46 +/- 2.26   0.002% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  10.74 +/- 0.85   0.007% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  11.69 +/- 1.10   0.005% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  14.58 +/- 1.98   0.001% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.90 +/- 1.70   0.000% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  16.67 +/- 1.48   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  18.81 +/- 1.87   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   2.75 +/- 0.22  99.998% * 99.9434% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  17.91 +/- 1.16   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   2.88 +/- 0.21  99.998% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  18.29 +/- 0.80   0.002% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  24.77 +/- 2.09   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  27.11 +/- 1.66   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  26.34 +/- 0.98   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   2.75 +/- 0.22  99.981% * 99.8236% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  12.23 +/- 1.31   0.019% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  23.78 +/- 1.12   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  28.32 +/- 1.13   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  17.31 +/- 1.05   0.000% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  25.78 +/- 2.25   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  26.54 +/- 1.69   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  27.13 +/- 0.96   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 636 (4.22, 2.45, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB3   ASP-  62   2.88 +/- 0.21  99.977% * 99.8236% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  12.31 +/- 1.18   0.022% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  23.40 +/- 1.25   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  27.70 +/- 1.54   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  15.84 +/- 0.95   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 = 241.5:
    * O T HB2   LEU   63 - HA    LEU   63   2.93 +/- 0.09  99.838% * 99.1997% (1.00  10.0 10.00   6.28 241.52) = 100.000%  kept
          QB    ALA  124 - HA    LEU   63  10.36 +/- 1.10   0.065% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   63  10.73 +/- 0.99   0.057% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  13.43 +/- 1.02   0.013% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  14.80 +/- 1.28   0.007% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  15.57 +/- 0.88   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  17.44 +/- 2.04   0.003% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  14.74 +/- 1.59   0.007% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  19.71 +/- 0.95   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  19.74 +/- 1.25   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  22.86 +/- 2.18   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  20.52 +/- 1.22   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  22.20 +/- 1.76   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 = 241.5:
    * O T HB3   LEU   63 - HA    LEU   63   2.54 +/- 0.20  98.274% * 99.7424% (1.00  10.0 10.00   5.98 241.52) =  99.999%  kept
          QG1   VAL   70 - HA    LEU   63   6.39 +/- 0.89   0.639% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU   63   6.02 +/- 1.08   0.970% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU   63   8.96 +/- 1.21   0.098% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  11.45 +/- 1.09   0.016% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  14.89 +/- 1.37   0.003% *  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 = 241.5:
    * O T HG    LEU   63 - HA    LEU   63   2.83 +/- 0.51  99.512% * 99.8120% (1.00  10.0 10.00   5.98 241.52) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   8.54 +/- 1.34   0.472% *  0.0154% (0.15   1.0  1.00   0.02   0.16) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  14.44 +/- 2.20   0.014% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  19.77 +/- 1.45   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 0.07 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.626, support = 5.64, residual support = 241.5:
        T QD2   LEU   63 - HA    LEU   63   2.50 +/- 0.33  91.427% * 35.7505% (0.57 10.00   5.64 241.52) =  86.285%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.85 +/- 0.16   8.227% * 63.1462% (1.00 10.00   5.62 241.52) =  13.715%  kept
          QD2   LEU  115 - HA    LEU   63   7.41 +/- 1.13   0.323% *  0.0527% (0.84  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   63  11.45 +/- 1.31   0.015% *  0.3575% (0.57 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.54 +/- 0.75   0.006% *  0.6315% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  18.09 +/- 1.53   0.001% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  19.50 +/- 2.53   0.001% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.979, support = 5.64, residual support = 241.5:
    *   T QD2   LEU   63 - HA    LEU   63   2.50 +/- 0.33  91.429% * 63.5438% (1.00 10.00   5.64 241.52) =  95.152%  kept
        T QD1   LEU   63 - HA    LEU   63   3.85 +/- 0.16   8.227% * 35.9756% (0.57 10.00   5.62 241.52) =   4.848%  kept
          QD2   LEU  115 - HA    LEU   63   7.41 +/- 1.13   0.323% *  0.0158% (0.25  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.54 +/- 0.75   0.006% *  0.3598% (0.57 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  12.36 +/- 0.90   0.008% *  0.0385% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  13.16 +/- 1.18   0.006% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  18.83 +/- 2.06   0.001% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  18.09 +/- 1.53   0.001% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 241.5:
    * O T HA    LEU   63 - HB2   LEU   63   2.93 +/- 0.09  99.997% * 99.2046% (1.00  10.0 10.00   6.28 241.52) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  19.57 +/- 1.55   0.001% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  19.41 +/- 0.93   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 = 241.5:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.902% * 99.7424% (1.00  10.0 10.00   6.31 241.52) = 100.000%  kept
          QG1   VAL   18 - HB2   LEU   63   7.52 +/- 1.43   0.036% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU   63   7.09 +/- 0.91   0.033% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   7.52 +/- 1.18   0.025% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  10.83 +/- 1.27   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  13.06 +/- 1.34   0.001% *  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 = 241.5:
    * O T HG    LEU   63 - HB2   LEU   63   2.61 +/- 0.12  99.570% * 99.8120% (1.00  10.0 10.00   6.31 241.52) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.31 +/- 1.23   0.417% *  0.0154% (0.15   1.0  1.00   0.02   0.16) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  13.37 +/- 2.55   0.012% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  17.90 +/- 1.55   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 = 0.965, support = 6.16, residual support = 241.5:
    * O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.17  86.344% * 63.1462% (1.00  10.0 10.00   6.16 241.52) =  91.960%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.13 +/- 0.21  13.333% * 35.7505% (0.57  10.0 10.00   6.14 241.52) =   8.040%  kept
          QD2   LEU  115 - HB2   LEU   63   6.55 +/- 1.52   0.309% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.10 +/- 0.99   0.007% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  11.48 +/- 1.00   0.006% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  16.07 +/- 1.69   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  17.44 +/- 2.58   0.001% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.659, support = 6.16, residual support = 241.5:
      O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.17  86.340% * 35.9756% (0.57  10.0 10.00   6.16 241.52) =  78.570%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.13 +/- 0.21  13.333% * 63.5438% (1.00  10.0 10.00   6.14 241.52) =  21.430%  kept
          QD2   LEU  115 - HB2   LEU   63   6.55 +/- 1.52   0.309% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.10 +/- 0.99   0.007% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  11.22 +/- 0.86   0.006% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  11.91 +/- 1.24   0.004% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  16.78 +/- 2.32   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  16.07 +/- 1.69   0.001% *  0.0141% (0.22   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 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.5:
    * O T HA    LEU   63 - HB3   LEU   63   2.54 +/- 0.20  99.999% * 99.8862% (1.00  10.0 10.00   5.98 241.52) = 100.000%  kept
          HB2   HIS   22 - HB3   LEU   63  20.26 +/- 1.73   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  18.29 +/- 1.07   0.001% *  0.0375% (0.38   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 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.5:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.985% * 99.1997% (1.00  10.0 10.00   6.31 241.52) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   8.97 +/- 1.25   0.010% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.19 +/- 1.26   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  12.17 +/- 1.09   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  12.74 +/- 1.30   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  14.30 +/- 0.84   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  16.63 +/- 2.44   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  12.86 +/- 1.43   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  17.71 +/- 1.31   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  18.18 +/- 1.55   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  20.91 +/- 2.60   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  19.30 +/- 1.46   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  20.60 +/- 1.96   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 = 241.5:
    * O T HG    LEU   63 - HB3   LEU   63   2.99 +/- 0.07  98.900% * 99.8120% (1.00  10.0 10.00   6.00 241.52) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   7.50 +/- 1.43   1.084% *  0.0154% (0.15   1.0  1.00   0.02   0.16) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  14.48 +/- 2.48   0.013% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  18.01 +/- 1.71   0.003% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.07 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.786, support = 5.85, residual support = 241.5:
    * O T QD1   LEU   63 - HB3   LEU   63   2.51 +/- 0.18  36.650% * 63.1462% (1.00  10.0 10.00   5.86 241.52) =  50.598%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.28 +/- 0.23  63.204% * 35.7505% (0.57  10.0 10.00   5.84 241.52) =  49.402%  kept
          QD2   LEU  115 - HB3   LEU   63   7.22 +/- 1.52   0.131% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  10.94 +/- 1.25   0.006% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   63  10.37 +/- 1.08   0.009% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  16.50 +/- 1.98   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  17.78 +/- 2.85   0.000% *  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 = 0.893, support = 5.85, residual support = 241.5:
    * O T QD2   LEU   63 - HB3   LEU   63   2.28 +/- 0.23  63.201% * 63.5438% (1.00  10.0 10.00   5.84 241.52) =  75.284%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.51 +/- 0.18  36.649% * 35.9756% (0.57  10.0 10.00   5.86 241.52) =  24.716%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.94 +/- 1.25   0.006% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.22 +/- 1.52   0.131% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63  10.64 +/- 1.12   0.007% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  11.38 +/- 1.30   0.005% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  17.31 +/- 2.53   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  16.50 +/- 1.98   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 = 241.5:
    * O T HA    LEU   63 - HG    LEU   63   2.83 +/- 0.51  99.996% * 99.8862% (1.00  10.0 10.00   5.98 241.52) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  20.89 +/- 1.51   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  19.46 +/- 1.42   0.002% *  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 = 241.5:
    * O T HB2   LEU   63 - HG    LEU   63   2.61 +/- 0.12  99.827% * 99.1997% (1.00  10.0 10.00   6.31 241.52) = 100.000%  kept
          HB3   ASP-  44 - HG    LEU   63   9.08 +/- 1.65   0.113% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  11.51 +/- 1.44   0.019% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  11.37 +/- 1.30   0.019% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  13.73 +/- 1.62   0.006% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  15.55 +/- 1.88   0.003% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  15.62 +/- 1.00   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  13.14 +/- 1.67   0.007% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  18.16 +/- 1.59   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  19.00 +/- 1.57   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  21.34 +/- 2.72   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  20.86 +/- 1.30   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  20.42 +/- 1.99   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 = 241.5:
    * O T HB3   LEU   63 - HG    LEU   63   2.99 +/- 0.07  97.142% * 99.7424% (1.00  10.0 10.00   6.00 241.52) =  99.999%  kept
          QD1   LEU  123 - HG    LEU   63   6.66 +/- 1.67   1.611% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HG    LEU   63   7.09 +/- 0.95   0.877% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HG    LEU   63   8.66 +/- 1.40   0.311% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU   63  11.51 +/- 1.23   0.040% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  13.08 +/- 1.43   0.019% *  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 = 0.845, support = 5.61, residual support = 241.5:
    * O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  50.350% * 63.0834% (1.00  10.0 10.00   5.60 241.52) =  64.250%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.485% * 35.7149% (0.57  10.0 10.00   5.62 241.52) =  35.750%  kept
          QD2   LEU  115 - HG    LEU   63   6.32 +/- 1.21   0.160% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  11.96 +/- 1.30   0.002% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG    LEU   63  11.19 +/- 1.30   0.003% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  18.19 +/- 2.89   0.000% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.96 +/- 2.02   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 = 0.841, support = 5.61, residual support = 241.5:
    * O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.484% * 63.5438% (1.00  10.0 10.00   5.62 241.52) =  63.450%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  50.349% * 35.9756% (0.57  10.0 10.00   5.60 241.52) =  36.550%  kept
          QD2   LEU  115 - HG    LEU   63   6.32 +/- 1.21   0.160% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  11.96 +/- 1.30   0.002% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  11.73 +/- 1.45   0.002% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.22 +/- 1.47   0.002% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  17.67 +/- 2.24   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.96 +/- 2.02   0.000% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 241.5:
    *   T HA    LEU   63 - QD1   LEU   63   3.85 +/- 0.16  93.608% * 98.5216% (1.00 10.00   5.62 241.52) =  99.998%  kept
        T HA    LEU   63 - QD1   LEU   73  12.54 +/- 0.75   0.085% *  0.9852% (1.00 10.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   7.09 +/- 1.38   5.383% *  0.0091% (0.09  1.00   0.02   0.02) =   0.001%
        T HA    LEU   63 - QD1   LEU  104  11.45 +/- 1.31   0.195% *  0.2412% (0.24 10.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   LEU   73   9.45 +/- 0.74   0.473% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  11.70 +/- 1.79   0.204% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  16.66 +/- 1.32   0.017% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  15.10 +/- 1.07   0.031% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  21.74 +/- 0.99   0.003% *  0.0184% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.08 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 241.5:
    * O T HB2   LEU   63 - QD1   LEU   63   2.22 +/- 0.17  93.501% * 95.2053% (1.00  10.0 10.00   6.16 241.52) =  99.997%  kept
          HB2   LEU   31 - QD1   LEU   73   5.26 +/- 0.71   0.852% *  0.0854% (0.90   1.0  1.00   0.02   3.33) =   0.001%
          HB3   ASP-  44 - QD1   LEU   63   6.34 +/- 1.35   0.676% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU  104   3.85 +/- 0.34   4.213% *  0.0132% (0.14   1.0  1.00   0.02  16.88) =   0.001%
        T HB3   LEU   80 - QD1   LEU   73  10.08 +/- 2.19   0.019% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.80 +/- 1.07   0.110% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   7.86 +/- 0.94   0.077% *  0.0933% (0.98   1.0  1.00   0.02   7.31) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  11.10 +/- 0.99   0.007% *  0.9521% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.68 +/- 0.89   0.260% *  0.0187% (0.20   1.0  1.00   0.02   8.47) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.25 +/- 1.11   0.048% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  11.48 +/- 1.00   0.007% *  0.2330% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.22 +/- 1.20   0.017% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63   9.97 +/- 1.28   0.015% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104   9.39 +/- 1.55   0.054% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  16.43 +/- 2.28   0.001% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  11.83 +/- 1.76   0.007% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  11.18 +/- 1.17   0.007% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.24 +/- 1.29   0.025% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  11.72 +/- 0.70   0.005% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  12.31 +/- 0.83   0.004% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.76 +/- 0.48   0.056% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  12.22 +/- 0.76   0.004% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.22 +/- 0.49   0.002% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  13.92 +/- 1.41   0.002% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  14.68 +/- 1.15   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  10.29 +/- 0.83   0.011% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.26 +/- 1.69   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  12.70 +/- 0.95   0.003% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.47 +/- 1.02   0.004% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  20.12 +/- 2.56   0.000% *  0.2284% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  13.64 +/- 1.01   0.002% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  16.88 +/- 1.15   0.001% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  14.46 +/- 1.46   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  19.82 +/- 1.33   0.000% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  15.63 +/- 1.72   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  17.19 +/- 2.25   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.19 +/- 0.80   0.001% *  0.0151% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  17.77 +/- 1.60   0.000% *  0.0160% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  18.11 +/- 2.15   0.000% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.86, residual support = 241.5:
    * O T HB3   LEU   63 - QD1   LEU   63   2.51 +/- 0.18  76.004% * 98.2083% (1.00  10.0 10.00   5.86 241.52) =  99.989%  kept
          QD1   LEU   71 - QD1   LEU   73   3.83 +/- 1.38  20.868% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.009%
          QG1   VAL   70 - QD1   LEU   63   5.98 +/- 0.77   0.631% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   6.03 +/- 0.50   0.506% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   63   6.17 +/- 1.37   0.809% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.06 +/- 1.06   0.241% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.94 +/- 1.25   0.016% *  0.9821% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   6.01 +/- 1.15   0.657% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  10.37 +/- 1.08   0.018% *  0.2404% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.58 +/- 0.39   0.056% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63   9.53 +/- 1.21   0.043% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   9.19 +/- 1.04   0.040% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.14 +/- 0.89   0.047% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   9.17 +/- 1.44   0.046% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  12.79 +/- 0.91   0.005% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.12 +/- 1.33   0.003% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.45 +/- 0.42   0.006% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.91 +/- 1.19   0.005% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 241.5:
    * O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  96.535% * 98.0591% (1.00  10.0 10.00   5.60 241.52) =  99.995%  kept
        T QG1   VAL  107 - QD1   LEU   63   4.57 +/- 1.05   3.259% *  0.1513% (0.15   1.0 10.00   0.02   0.16) =   0.005%
          QG2   VAL   24 - QD1   LEU   73   6.81 +/- 1.00   0.149% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  11.96 +/- 1.30   0.004% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.46 +/- 1.95   0.020% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  11.19 +/- 1.30   0.005% *  0.2400% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   8.76 +/- 0.81   0.022% *  0.0370% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  11.57 +/- 0.53   0.004% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU   63  14.51 +/- 1.48   0.001% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU  104  15.37 +/- 1.58   0.001% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.87 +/- 1.55   0.000% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.55 +/- 1.65   0.000% *  0.0183% (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 = 5.64, residual support = 241.5:
    *   T HA    LEU   63 - QD2   LEU   63   2.50 +/- 0.33  99.995% * 99.8862% (1.00 10.00   5.64 241.52) = 100.000%  kept
          HA2   GLY  101 - QD2   LEU   63  14.78 +/- 1.47   0.004% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD2   LEU   63  18.02 +/- 1.27   0.001% *  0.0763% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.06 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 241.5:
    * O T HB2   LEU   63 - QD2   LEU   63   3.13 +/- 0.21  98.512% * 98.3391% (1.00  10.0 10.00   6.14 241.52) =  99.999%  kept
          HB3   ASP-  44 - QD2   LEU   63   8.30 +/- 1.22   0.633% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   63   8.63 +/- 1.29   0.382% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   63  10.36 +/- 1.57   0.118% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63  10.52 +/- 1.06   0.096% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  18.19 +/- 2.30   0.004% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  11.38 +/- 1.13   0.055% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63  10.03 +/- 1.55   0.148% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  13.39 +/- 2.01   0.022% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  15.14 +/- 1.44   0.010% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  15.63 +/- 1.37   0.008% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  15.98 +/- 1.45   0.007% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  17.29 +/- 1.78   0.005% *  0.0172% (0.18   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 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.84, residual support = 241.5:
    * O T HB3   LEU   63 - QD2   LEU   63   2.28 +/- 0.23  93.347% * 99.7424% (1.00  10.0 10.00   5.84 241.52) =  99.997%  kept
          QG1   VAL   70 - QD2   LEU   63   4.68 +/- 1.02   3.288% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD2   LEU   63   4.96 +/- 1.41   3.202% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD2   LEU   63   7.85 +/- 1.17   0.116% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU   63   8.99 +/- 1.21   0.037% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63  11.04 +/- 1.25   0.011% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 241.5:
    * O T HG    LEU   63 - QD2   LEU   63   2.11 +/- 0.02  98.863% * 99.6738% (1.00  10.0 10.00   5.62 241.52) =  99.998%  kept
        T QG1   VAL  107 - QD2   LEU   63   5.65 +/- 1.27   1.128% *  0.1538% (0.15   1.0 10.00   0.02   0.16) =   0.002%
          HG3   LYS+ 112 - QD2   LEU   63  11.88 +/- 1.97   0.008% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD2   LEU   63  15.58 +/- 1.51   0.001% *  0.0962% (0.97   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 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.8:
    * O T QB    ALA   64 - HA    ALA   64   2.14 +/- 0.01 100.000% * 99.9825% (1.00  10.0 10.00   2.00  20.76) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  16.48 +/- 0.60   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 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.964, support = 2.03, residual support = 21.8:
    * O T HA    ALA   64 - QB    ALA   64   2.14 +/- 0.01  86.150% * 72.6945% (1.00  10.0 10.00   2.00  20.76) =  94.310%  kept
        T HB2   PHE   72 - QB    ALA   64   3.43 +/- 0.87  13.849% * 27.2831% (0.38   1.0 10.00   2.56  38.83) =   5.690%  kept
          HB3   ASN   35 - QB    ALA   64  16.60 +/- 0.59   0.000% *  0.0224% (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 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 = 6.4, residual support = 164.9:
    * O T QB    LYS+  65 - HA    LYS+  65   2.43 +/- 0.05  98.857% * 99.3780% (0.92  10.0 10.00   6.40 164.86) =  99.999%  kept
          QB    LYS+  66 - HA    LYS+  65   5.34 +/- 0.09   0.890% *  0.0563% (0.52   1.0  1.00   0.02  25.68) =   0.001%
          HB3   GLN   17 - HA    LYS+  65   7.69 +/- 1.45   0.200% *  0.0603% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  65  12.71 +/- 0.95   0.005% *  0.0992% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  14.64 +/- 1.35   0.003% *  0.1121% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  10.16 +/- 1.54   0.031% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  13.22 +/- 1.54   0.005% *  0.0110% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  19.09 +/- 1.13   0.000% *  0.0830% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  16.88 +/- 0.89   0.001% *  0.0373% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  21.14 +/- 1.67   0.000% *  0.0974% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  16.74 +/- 1.39   0.001% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  18.29 +/- 2.39   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  14.57 +/- 1.31   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  15.72 +/- 1.32   0.002% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  21.11 +/- 1.17   0.000% *  0.0248% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  22.58 +/- 1.73   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 = 0.896, support = 5.35, residual support = 168.5:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.47 +/- 0.30  58.533% * 53.0514% (0.92  10.0 10.00   5.27 164.86) =  96.510%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.74 +/- 0.21  33.490% *  1.4928% (0.03  10.0 10.00   8.25 315.73) =   1.554%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.72 +/- 0.46   7.449% *  5.9339% (0.10   1.0 10.00   7.49 315.73) =   1.374%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.68 +/- 0.71   0.470% * 38.5232% (0.67   1.0 10.00   5.53  25.68) =   0.562%  kept
        T QD    LYS+  66 - HA    LYS+ 121  11.25 +/- 2.07   0.019% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.77 +/- 1.40   0.005% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.29 +/- 1.82   0.001% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.32 +/- 2.13   0.001% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.73 +/- 0.94   0.003% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.59 +/- 1.01   0.001% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.06 +/- 1.63   0.004% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.88 +/- 1.43   0.001% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.13 +/- 1.44   0.017% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.28 +/- 1.49   0.004% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.93 +/- 1.75   0.000% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.95 +/- 1.60   0.000% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.71 +/- 0.94   0.002% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.35 +/- 1.61   0.000% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.11 +/- 0.98   0.000% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.56 +/- 1.20   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 = 0.915, support = 5.29, residual support = 166.1:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.20 +/- 0.51  72.026% * 94.0974% (0.92  10.0 10.00   5.27 164.86) =  99.147%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.01 +/- 0.58  27.721% *  2.1015% (0.02   1.0 10.00   6.72 315.73) =   0.852%  kept
        T HG3   LYS+ 106 - HA    LYS+ 121  11.30 +/- 1.21   0.072% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.33 +/- 0.87   0.048% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.01 +/- 1.45   0.003% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  20.19 +/- 1.33   0.001% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.15 +/- 0.86   0.012% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  16.15 +/- 2.23   0.008% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.87 +/- 1.78   0.004% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  15.60 +/- 1.68   0.007% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  24.67 +/- 1.47   0.000% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.39 +/- 1.06   0.018% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  18.10 +/- 1.36   0.003% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  19.52 +/- 2.10   0.002% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.78 +/- 1.00   0.004% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.92 +/- 1.35   0.015% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.11 +/- 1.09   0.022% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  17.26 +/- 0.98   0.003% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.16 +/- 1.92   0.001% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.89 +/- 1.20   0.006% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  18.40 +/- 1.31   0.003% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  14.40 +/- 1.14   0.012% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  21.60 +/- 0.89   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  19.91 +/- 1.31   0.001% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.66 +/- 1.82   0.003% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  26.18 +/- 2.16   0.000% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  23.16 +/- 1.78   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.39 +/- 1.20   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 = 0.79, support = 5.33, residual support = 189.3:
    *   T QD    LYS+  65 - HA    LYS+  65   3.27 +/- 0.56  36.089% * 86.8789% (0.92   1.0 10.00   4.75 164.86) =  83.787%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.89 +/- 0.11  62.009% *  9.7826% (0.10  10.0 10.00   8.31 315.73) =  16.211%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.35 +/- 0.65   1.847% *  0.0334% (0.04   1.0 10.00   0.02   2.30) =   0.002%
        T HB2   LYS+ 121 - HA    LYS+  65  16.09 +/- 1.68   0.003% *  0.8669% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  14.37 +/- 1.38   0.005% *  0.2964% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.63 +/- 1.41   0.012% *  0.0492% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.39 +/- 0.85   0.001% *  0.8020% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.42 +/- 0.70   0.018% *  0.0242% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  14.95 +/- 1.70   0.004% *  0.0555% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.78 +/- 1.39   0.002% *  0.0980% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  17.30 +/- 1.94   0.002% *  0.0905% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.87 +/- 1.56   0.000% *  0.4919% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.09 +/- 1.35   0.002% *  0.0244% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.46 +/- 1.56   0.000% *  0.2166% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  23.55 +/- 1.52   0.000% *  0.1340% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  19.05 +/- 1.04   0.001% *  0.0326% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  16.85 +/- 1.01   0.002% *  0.0151% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  24.62 +/- 1.98   0.000% *  0.0861% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.66 +/- 1.60   0.003% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.15 +/- 2.53   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.44 +/- 1.56   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.85 +/- 3.22   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 = 164.9:
    *   T QE    LYS+  65 - HA    LYS+  65   4.35 +/- 0.52  99.868% * 97.2340% (0.92 10.00   4.75 164.86) =  99.999%  kept
        T QE    LYS+  33 - HA    LYS+  65  16.16 +/- 2.25   0.062% *  0.8720% (0.83 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LYS+  65  23.64 +/- 0.98   0.005% *  0.9384% (0.89 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  22.33 +/- 1.16   0.007% *  0.5898% (0.56 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  17.60 +/- 1.60   0.031% *  0.1097% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  21.94 +/- 2.30   0.008% *  0.0984% (0.09 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  27.14 +/- 2.22   0.002% *  0.0898% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  23.48 +/- 0.95   0.005% *  0.0365% (0.35  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  22.44 +/- 1.79   0.007% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  26.52 +/- 3.67   0.003% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  27.03 +/- 1.27   0.002% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  29.68 +/- 1.39   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 = 6.4, residual support = 164.9:
    * O T HA    LYS+  65 - QB    LYS+  65   2.43 +/- 0.05  99.850% * 98.7802% (0.92  10.0 10.00   6.40 164.86) = 100.000%  kept
          HA2   GLY   16 - QB    LYS+  65   7.86 +/- 1.20   0.133% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QB    LYS+  65  14.64 +/- 1.35   0.003% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  11.83 +/- 1.11   0.009% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.26 +/- 0.64   0.003% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  17.97 +/- 1.82   0.001% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  17.25 +/- 0.94   0.001% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.74 +/- 1.50   0.001% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  18.84 +/- 1.09   0.000% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  24.63 +/- 0.90   0.000% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  21.56 +/- 0.66   0.000% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  26.30 +/- 1.13   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 = 0.97, support = 5.54, residual support = 149.4:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.50 +/- 0.08  85.255% * 57.5064% (1.00  10.0 10.00   5.56 164.86) =  88.865%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.04 +/- 1.01  14.711% * 41.7582% (0.73   1.0 10.00   5.32  25.68) =  11.135%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  14.92 +/- 1.44   0.002% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  65  12.07 +/- 0.71   0.008% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  15.18 +/- 0.92   0.002% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  11.58 +/- 1.23   0.011% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  12.93 +/- 1.04   0.005% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  14.24 +/- 1.85   0.004% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  17.56 +/- 1.35   0.001% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.78 +/- 1.28   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 = 5.15, residual support = 164.9:
    * O T QD    LYS+  65 - QB    LYS+  65   2.09 +/- 0.10  99.973% * 97.4795% (1.00  10.0 10.00   5.15 164.86) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   9.13 +/- 0.70   0.017% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  11.66 +/- 1.10   0.004% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  16.05 +/- 0.95   0.001% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  18.75 +/- 0.59   0.000% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  13.91 +/- 1.50   0.002% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  12.04 +/- 1.19   0.003% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  21.15 +/- 1.16   0.000% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  20.47 +/- 1.29   0.000% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.59 +/- 1.30   0.000% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  22.58 +/- 1.68   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 = 5.15, residual support = 164.9:
    *   T QE    LYS+  65 - QB    LYS+  65   3.07 +/- 0.45  99.989% * 98.8300% (1.00 10.00   5.15 164.86) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  16.25 +/- 1.92   0.007% *  0.8863% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  22.60 +/- 0.72   0.001% *  0.0954% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  21.66 +/- 0.84   0.001% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  24.67 +/- 1.77   0.000% *  0.0912% (0.92  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  21.10 +/- 0.78   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 = 164.9:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.47 +/- 0.30  99.841% * 97.8884% (0.92  10.0 10.00   5.27 164.86) = 100.000%  kept
          HA2   GLY   16 - HG2   LYS+  65   7.84 +/- 1.30   0.150% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  120 - HG2   LYS+  65  15.12 +/- 1.19   0.003% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  17.88 +/- 1.43   0.001% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  18.62 +/- 2.16   0.001% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  18.55 +/- 1.37   0.001% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  17.11 +/- 0.82   0.001% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  20.20 +/- 2.02   0.001% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  20.35 +/- 1.56   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  26.29 +/- 1.29   0.000% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  22.91 +/- 1.15   0.000% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  28.32 +/- 1.54   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 = 164.9:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.50 +/- 0.08  99.359% * 99.0387% (1.00  10.0 10.00   5.56 164.86) =  99.998%  kept
        T QB    LYS+  66 - HG2   LYS+  65   6.49 +/- 0.18   0.334% *  0.5607% (0.57   1.0 10.00   0.02  25.68) =   0.002%
          HB3   GLN   17 - HG2   LYS+  65   7.61 +/- 1.60   0.299% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+  65  13.52 +/- 1.15   0.005% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  17.74 +/- 1.41   0.001% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  17.50 +/- 1.00   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  22.01 +/- 1.53   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  21.56 +/- 1.28   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 = 164.9:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.26 +/- 0.09  99.969% * 96.4735% (1.00  10.0 10.00   4.44 164.86) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  11.24 +/- 1.56   0.010% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.78 +/- 1.72   0.001% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65   9.74 +/- 0.77   0.018% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  20.89 +/- 0.85   0.000% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  23.65 +/- 1.40   0.000% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  15.44 +/- 1.28   0.001% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  17.58 +/- 1.37   0.001% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  23.66 +/- 1.33   0.000% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.69 +/- 1.29   0.000% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  23.68 +/- 1.97   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 0.00 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.9:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.83 +/- 0.31  99.994% * 98.8300% (1.00  10.0 10.00   4.44 164.86) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  16.90 +/- 2.21   0.004% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  23.59 +/- 1.29   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  23.32 +/- 1.29   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  21.76 +/- 1.05   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  26.35 +/- 2.03   0.000% *  0.0912% (0.92   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 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 164.9:
    *   T HA    LYS+  65 - QD    LYS+  65   3.27 +/- 0.56  97.069% * 96.9449% (0.92 10.00   4.75 164.86) =  99.998%  kept
          HA2   GLY   16 - QD    LYS+  65   7.61 +/- 1.80   1.167% *  0.1014% (0.97  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - QD    LYS+  65  16.78 +/- 1.39   0.010% *  0.5946% (0.57 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   8.34 +/- 1.14   0.634% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  13.98 +/- 1.32   0.034% *  0.0993% (0.95  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  14.95 +/- 1.70   0.019% *  0.1503% (0.14 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.13 +/- 0.80   0.597% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  17.09 +/- 1.35   0.008% *  0.1472% (0.14 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  17.50 +/- 2.13   0.011% *  0.0803% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  17.30 +/- 1.94   0.008% *  0.1086% (0.10 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  16.85 +/- 1.01   0.008% *  0.0911% (0.09 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  19.39 +/- 0.85   0.003% *  0.1771% (0.17 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  18.68 +/- 2.36   0.010% *  0.0511% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.48 +/- 0.56   0.134% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  18.10 +/- 1.32   0.007% *  0.0679% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.98 +/- 0.98   0.014% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.69 +/- 2.65   0.033% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  22.87 +/- 1.56   0.001% *  0.2450% (0.23 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  14.78 +/- 1.49   0.016% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  19.01 +/- 2.01   0.007% *  0.0358% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  13.06 +/- 1.70   0.045% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.75 +/- 1.09   0.008% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  24.46 +/- 1.56   0.001% *  0.2400% (0.23 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  17.25 +/- 1.77   0.010% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  14.10 +/- 2.55   0.033% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  14.64 +/- 1.28   0.017% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.67 +/- 1.48   0.010% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  23.55 +/- 1.52   0.001% *  0.1485% (0.14 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.18 +/- 0.80   0.009% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  20.44 +/- 3.46   0.005% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  16.72 +/- 2.34   0.010% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  18.59 +/- 1.65   0.004% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  15.89 +/- 2.27   0.012% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  15.97 +/- 1.57   0.013% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  24.85 +/- 1.25   0.001% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  19.67 +/- 2.16   0.004% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  20.60 +/- 2.09   0.003% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  20.08 +/- 1.86   0.003% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  22.60 +/- 2.01   0.001% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  23.14 +/- 1.83   0.001% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  22.06 +/- 1.34   0.001% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  22.76 +/- 1.71   0.001% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  22.14 +/- 0.72   0.001% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  21.82 +/- 3.48   0.003% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  25.16 +/- 1.52   0.001% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  20.35 +/- 1.26   0.003% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  25.96 +/- 2.51   0.001% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  26.78 +/- 1.59   0.001% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.11 +/- 2.36   0.002% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.07 +/- 1.91   0.000% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  29.64 +/- 1.95   0.000% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  27.69 +/- 0.94   0.000% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  21.34 +/- 2.04   0.002% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  26.54 +/- 1.73   0.001% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  28.85 +/- 1.90   0.000% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  29.00 +/- 1.38   0.000% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  32.72 +/- 1.27   0.000% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  31.00 +/- 0.99   0.000% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  28.93 +/- 2.34   0.000% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  31.97 +/- 1.73   0.000% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.11 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.873, support = 5.08, residual support = 164.0:
    * O T QB    LYS+  65 - QD    LYS+  65   2.09 +/- 0.10  54.718% * 77.3143% (1.00  10.0 10.00   5.15 164.86) =  83.172%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.20 +/- 0.31  44.685% * 19.1545% (0.25  10.0 10.00   4.75 159.46) =  16.828%  kept
          HB3   GLN   17 - QD    LYS+  65   7.65 +/- 2.09   0.304% *  0.0469% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.50 +/- 0.29   0.063% *  0.0438% (0.57   1.0  1.00   0.02  25.68) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   9.42 +/- 1.64   0.010% *  0.1384% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.76 +/- 1.35   0.011% *  0.0989% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.33 +/- 0.95   0.183% *  0.0049% (0.06   1.0  1.00   0.02  22.40) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102   9.70 +/- 0.82   0.007% *  0.0733% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.71 +/- 0.66   0.003% *  0.0530% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.94 +/- 1.72   0.000% *  0.6458% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111  10.36 +/- 1.51   0.008% *  0.0160% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.70 +/- 1.24   0.001% *  0.0771% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.34 +/- 0.95   0.000% *  0.2902% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.99 +/- 1.42   0.000% *  0.7578% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  11.01 +/- 0.64   0.003% *  0.0141% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  18.75 +/- 0.59   0.000% *  0.1412% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.04 +/- 1.34   0.001% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  20.47 +/- 1.29   0.000% *  0.1914% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.35 +/- 1.94   0.000% *  0.1632% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  21.15 +/- 1.16   0.000% *  0.1954% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.59 +/- 1.30   0.000% *  0.1184% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.18 +/- 1.49   0.000% *  0.1161% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  13.41 +/- 0.92   0.001% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.03 +/- 0.84   0.000% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  26.34 +/- 0.72   0.000% *  0.1180% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.05 +/- 1.40   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.61 +/- 1.57   0.000% *  0.0445% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  18.90 +/- 1.95   0.000% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.91 +/- 1.09   0.000% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.18 +/- 1.74   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  21.92 +/- 1.93   0.000% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  19.41 +/- 1.09   0.000% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  25.67 +/- 1.56   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  20.79 +/- 1.85   0.000% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  24.00 +/- 1.19   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.28 +/- 1.44   0.000% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  23.74 +/- 1.79   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.99 +/- 1.43   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  29.00 +/- 1.92   0.000% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  28.19 +/- 1.91   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 = 164.8:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.26 +/- 0.09  82.185% * 94.3122% (1.00  10.0 10.00   4.44 164.86) =  99.990%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.34 +/- 0.51  13.622% *  0.0253% (0.03  10.0  1.00   0.02 315.30) =   0.004%
        T QD    LYS+  66 - QD    LYS+  65   5.98 +/- 0.92   0.391% *  0.6848% (0.73   1.0 10.00   0.02  25.68) =   0.003%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.81 +/- 0.26   3.640% *  0.0409% (0.04  10.0  1.00   0.02 315.30) =   0.002%
        T HB2   LYS+  74 - QD    LYS+  65  11.77 +/- 1.14   0.005% *  0.7878% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  11.40 +/- 1.69   0.009% *  0.1455% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   7.18 +/- 0.88   0.094% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  16.93 +/- 1.50   0.001% *  0.9348% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  14.49 +/- 1.95   0.002% *  0.2363% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  14.72 +/- 1.83   0.002% *  0.2314% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  16.32 +/- 1.85   0.001% *  0.2352% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  13.52 +/- 1.58   0.002% *  0.0594% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  14.84 +/- 1.46   0.001% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   9.13 +/- 0.80   0.021% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.02 +/- 2.46   0.000% *  0.1708% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  17.89 +/- 0.92   0.000% *  0.1251% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  19.35 +/- 1.93   0.000% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  16.21 +/- 1.36   0.001% *  0.0582% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  10.74 +/- 1.26   0.009% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  19.95 +/- 1.66   0.000% *  0.1731% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.32 +/- 1.38   0.002% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  11.96 +/- 1.51   0.006% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  16.55 +/- 1.72   0.001% *  0.0430% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.89 +/- 0.85   0.000% *  0.1723% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  14.57 +/- 1.69   0.002% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.91 +/- 0.82   0.000% *  0.1439% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.65 +/- 1.40   0.000% *  0.2384% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  23.66 +/- 1.33   0.000% *  0.2335% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  23.05 +/- 1.23   0.000% *  0.1950% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.79 +/- 0.57   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.69 +/- 1.29   0.000% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  16.98 +/- 1.23   0.001% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  19.30 +/- 1.38   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  20.70 +/- 1.38   0.000% *  0.0360% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.81 +/- 0.88   0.000% *  0.0368% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  19.23 +/- 1.32   0.000% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  18.55 +/- 1.89   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.99 +/- 0.82   0.000% *  0.0199% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  16.01 +/- 1.05   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  22.60 +/- 0.74   0.000% *  0.0266% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  22.39 +/- 1.33   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  25.06 +/- 1.08   0.000% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.89 +/- 2.35   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  21.67 +/- 2.44   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.73 +/- 0.92   0.000% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  21.73 +/- 1.98   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  20.00 +/- 1.48   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  24.16 +/- 1.78   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.85 +/- 1.56   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.84 +/- 2.30   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 0.00 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 164.9:
    * O T QE    LYS+  65 - QD    LYS+  65   2.11 +/- 0.02  99.934% * 97.0780% (1.00  10.0 10.00   4.00 164.86) = 100.000%  kept
        T QE    LYS+  33 - QD    LYS+  38  10.63 +/- 1.33   0.008% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  16.28 +/- 2.38   0.001% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   7.73 +/- 0.66   0.048% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  16.08 +/- 1.42   0.001% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  11.39 +/- 1.59   0.006% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.76 +/- 1.59   0.000% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  20.71 +/- 0.79   0.000% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.81 +/- 1.66   0.000% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  18.11 +/- 4.44   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  23.10 +/- 1.01   0.000% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  16.62 +/- 1.90   0.001% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  22.72 +/- 1.45   0.000% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.98 +/- 0.61   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  20.67 +/- 1.29   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  22.39 +/- 1.41   0.000% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  25.19 +/- 1.77   0.000% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.91 +/- 1.61   0.000% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  29.61 +/- 1.62   0.000% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.24 +/- 3.28   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  23.43 +/- 3.00   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  24.42 +/- 3.69   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.41 +/- 1.83   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  23.98 +/- 1.68   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  26.38 +/- 1.70   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  31.16 +/- 1.86   0.000% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  31.05 +/- 1.62   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.07 +/- 2.07   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  29.30 +/- 0.73   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  32.01 +/- 1.77   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 = 162.3:
    *   T HA    LYS+  65 - QE    LYS+  65   4.35 +/- 0.52  83.867% * 88.0388% (0.92 10.00   4.75 164.86) =  98.327%  kept
        T HA    GLN   32 - QE    LYS+  33   6.89 +/- 1.28  12.913% *  9.7024% (0.10 10.00   3.28  11.45) =   1.668%  kept
          HA2   GLY   16 - QE    LYS+  65   8.48 +/- 1.50   2.554% *  0.0920% (0.97  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - QE    LYS+  33  16.16 +/- 2.25   0.055% *  0.4526% (0.47 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QE    LYS+  33  12.56 +/- 2.05   0.297% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  65  17.60 +/- 1.60   0.026% *  0.5399% (0.57 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  14.71 +/- 1.52   0.080% *  0.0902% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  16.66 +/- 2.16   0.042% *  0.0729% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  21.94 +/- 2.30   0.007% *  0.2776% (0.29 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  17.69 +/- 2.02   0.029% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  17.94 +/- 1.17   0.020% *  0.0617% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.64 +/- 1.11   0.005% *  0.1887% (0.20 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  16.28 +/- 0.94   0.037% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.24 +/- 1.73   0.020% *  0.0325% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  21.53 +/- 2.84   0.008% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  19.58 +/- 1.33   0.011% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  22.72 +/- 2.73   0.007% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  24.49 +/- 1.12   0.003% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  21.35 +/- 1.51   0.007% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  22.62 +/- 1.61   0.005% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.82 +/- 2.38   0.001% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  26.41 +/- 1.34   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.62 +/- 1.55   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  25.17 +/- 2.60   0.003% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.06 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 164.9:
    *   T QB    LYS+  65 - QE    LYS+  65   3.07 +/- 0.45  95.924% * 98.8024% (1.00 10.00   5.15 164.86) =  99.998%  kept
          HB3   GLN   17 - QE    LYS+  65   7.81 +/- 2.06   1.977% *  0.0599% (0.61  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  33   7.80 +/- 1.79   1.332% *  0.0507% (0.51  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  65   7.32 +/- 0.52   0.560% *  0.0559% (0.57  1.00   0.02  25.68) =   0.000%
        T QB    LYS+  65 - QE    LYS+  33  16.25 +/- 1.92   0.007% *  0.5079% (0.51 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  33  10.69 +/- 1.41   0.117% *  0.0191% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  14.38 +/- 1.11   0.013% *  0.0986% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  12.27 +/- 1.69   0.033% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  16.51 +/- 1.57   0.006% *  0.0825% (0.84  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  15.31 +/- 1.18   0.009% *  0.0498% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  15.90 +/- 2.03   0.008% *  0.0288% (0.29  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  17.93 +/- 0.77   0.003% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  21.67 +/- 1.04   0.001% *  0.0968% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.02 +/- 0.94   0.007% *  0.0127% (0.13  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  21.41 +/- 1.01   0.001% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  23.89 +/- 1.35   0.001% *  0.0424% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.9:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.83 +/- 0.31  96.956% * 98.8048% (1.00  10.0 10.00   4.44 164.86) =  99.998%  kept
          QD    LYS+  66 - QE    LYS+  65   6.81 +/- 1.20   2.466% *  0.0717% (0.73   1.0  1.00   0.02  25.68) =   0.002%
          QG2   THR   26 - QE    LYS+  33   7.70 +/- 1.22   0.409% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  65  11.42 +/- 1.08   0.028% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  16.90 +/- 2.21   0.004% *  0.5079% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  10.88 +/- 1.66   0.048% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  14.81 +/- 1.49   0.006% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.35 +/- 1.84   0.048% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  13.88 +/- 1.59   0.011% *  0.0424% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  17.66 +/- 1.59   0.002% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.23 +/- 1.25   0.005% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  17.67 +/- 2.19   0.003% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  17.06 +/- 1.97   0.003% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  21.85 +/- 2.88   0.001% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.33 +/- 1.60   0.004% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  16.38 +/- 1.42   0.004% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  20.07 +/- 1.22   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  19.17 +/- 1.55   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  20.56 +/- 2.00   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  27.17 +/- 1.92   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 0.05 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 164.9:
    * O T QD    LYS+  65 - QE    LYS+  65   2.11 +/- 0.02  99.948% * 96.2302% (1.00  10.0 10.00   4.00 164.86) = 100.000%  kept
        T QD    LYS+  38 - QE    LYS+  33  10.63 +/- 1.33   0.008% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   8.52 +/- 1.17   0.032% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  16.28 +/- 2.38   0.001% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.20 +/- 1.41   0.006% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  16.08 +/- 1.42   0.001% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  20.71 +/- 0.79   0.000% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  16.70 +/- 1.70   0.001% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  23.10 +/- 1.01   0.000% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  15.03 +/- 1.53   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.24 +/- 1.56   0.001% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.76 +/- 1.59   0.000% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  16.25 +/- 1.56   0.001% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.81 +/- 1.66   0.000% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  18.19 +/- 3.34   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  22.50 +/- 1.61   0.000% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  20.84 +/- 2.02   0.000% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.85 +/- 1.44   0.000% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  22.62 +/- 3.26   0.000% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.91 +/- 1.61   0.000% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  29.61 +/- 1.62   0.000% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  23.98 +/- 1.40   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 = 5.0, residual support = 113.4:
    * O T QB    LYS+  66 - HA    LYS+  66   2.45 +/- 0.07  95.517% * 86.0911% (1.00  10.0 10.00   4.99 114.00) =  99.303%  kept
          QB    LYS+  65 - HA    LYS+  66   4.10 +/- 0.06   4.426% * 13.0378% (0.57   1.0  1.00   5.35  25.68) =   0.697%  kept
          HG    LEU  123 - HA    LYS+  66   9.55 +/- 1.66   0.052% *  0.0487% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.87 +/- 0.33   0.003% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  22.75 +/- 1.45   0.000% *  0.4874% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  17.28 +/- 0.59   0.001% *  0.0814% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  19.93 +/- 1.28   0.000% *  0.0772% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  20.06 +/- 1.63   0.000% *  0.0591% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.71 +/- 1.06   0.000% *  0.0719% (0.84   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 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 114.0:
    * O T QG    LYS+  66 - HA    LYS+  66   2.38 +/- 0.30  98.269% * 98.9829% (1.00  10.0 10.00   4.31 114.00) =  99.996%  kept
        T HG    LEU   67 - HA    LYS+  66   5.95 +/- 0.94   0.949% *  0.3715% (0.38   1.0 10.00   0.02  10.11) =   0.004%
          HB3   LEU   67 - HA    LYS+  66   6.02 +/- 0.72   0.679% *  0.0936% (0.95   1.0  1.00   0.02  10.11) =   0.001%
          QB    ALA   61 - HA    LYS+  66   8.30 +/- 0.62   0.090% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  12.96 +/- 1.06   0.005% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  14.65 +/- 1.28   0.003% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  14.87 +/- 1.94   0.003% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  15.77 +/- 0.86   0.001% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  17.78 +/- 2.05   0.001% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  23.40 +/- 1.69   0.000% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  26.01 +/- 2.24   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  25.83 +/- 1.99   0.000% *  0.0173% (0.18   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 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 114.0:
    *   T QD    LYS+  66 - HA    LYS+  66   2.60 +/- 0.48  99.298% * 98.7926% (1.00 10.00   4.43 114.00) =  99.999%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.48 +/- 0.08   0.673% *  0.0717% (0.73  1.00   0.02  25.68) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  66  14.66 +/- 1.95   0.006% *  0.7911% (0.80 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    LYS+  66  13.66 +/- 2.36   0.013% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  17.35 +/- 1.76   0.002% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  15.87 +/- 1.19   0.003% *  0.0520% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  16.03 +/- 0.89   0.003% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  18.22 +/- 0.84   0.001% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  20.49 +/- 1.96   0.001% *  0.0559% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 114.0:
    *   T QE    LYS+  66 - HA    LYS+  66   4.09 +/- 0.30  99.675% * 99.6609% (1.00 10.00   3.74 114.00) = 100.000%  kept
          HB2   ASN   69 - HA    LYS+  66  10.92 +/- 0.54   0.318% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  23.26 +/- 0.89   0.003% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HA    LYS+  66  23.33 +/- 0.81   0.003% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 114.0:
    * O T HA    LYS+  66 - QB    LYS+  66   2.45 +/- 0.07  99.925% * 99.9488% (1.00  10.0 10.00   4.99 114.00) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   8.52 +/- 1.08   0.075% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.44 +/- 0.95   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  24.55 +/- 1.01   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 = 0.993, support = 4.31, residual support = 112.8:
    * O T QG    LYS+  66 - QB    LYS+  66   2.06 +/- 0.00  96.534% * 71.9610% (1.00  10.0 10.00   4.31 114.00) =  98.828%  kept
        T HG    LEU   67 - QB    LYS+  66   4.88 +/- 1.40   3.048% * 27.0078% (0.38   1.0 10.00   4.03  10.11) =   1.171%  kept
          HB3   LEU   67 - QB    LYS+  66   5.29 +/- 0.18   0.341% *  0.0681% (0.95   1.0  1.00   0.02  10.11) =   0.000%
          QB    ALA   61 - QB    LYS+  66   7.16 +/- 0.48   0.059% *  0.0601% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  10.16 +/- 0.86   0.008% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  11.24 +/- 1.80   0.005% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  19.22 +/- 1.52   0.000% *  0.6242% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.27 +/- 0.86   0.001% *  0.0681% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  13.09 +/- 1.27   0.002% *  0.0379% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  14.27 +/- 1.81   0.001% *  0.0436% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  22.18 +/- 2.13   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  21.98 +/- 1.88   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 = 4.42, residual support = 114.0:
    * O T QD    LYS+  66 - QB    LYS+  66   2.26 +/- 0.17  99.753% * 98.1588% (1.00  10.0 10.00   4.42 114.00) =  99.998%  kept
        T HG2   LYS+  65 - QB    LYS+  66   6.49 +/- 0.18   0.196% *  0.7128% (0.73   1.0 10.00   0.02  25.68) =   0.001%
        T HD2   LYS+ 121 - QB    LYS+  66  10.90 +/- 1.69   0.013% *  0.7860% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  66  10.01 +/- 2.09   0.029% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  13.70 +/- 1.52   0.002% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  13.35 +/- 1.03   0.003% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  13.68 +/- 0.80   0.002% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  15.95 +/- 0.70   0.001% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  16.19 +/- 1.89   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 = 3.74, residual support = 114.0:
    *   T QE    LYS+  66 - QB    LYS+  66   3.04 +/- 0.63  99.851% * 99.6609% (1.00 10.00   3.74 114.00) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66   9.76 +/- 0.83   0.145% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  19.97 +/- 0.77   0.002% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  20.14 +/- 0.84   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 = 114.0:
    * O T HA    LYS+  66 - QG    LYS+  66   2.38 +/- 0.30  91.896% * 99.8680% (1.00  10.0 10.00   4.31 114.00) =  99.999%  kept
        T HA    LYS+  66 - HG    LEU   67   5.95 +/- 0.94   0.936% *  0.0769% (0.08   1.0 10.00   0.02  10.11) =   0.001%
          HA1   GLY   16 - HG    LEU   67   6.84 +/- 2.96   7.121% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  66   9.33 +/- 1.16   0.046% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  22.10 +/- 0.98   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  25.38 +/- 1.46   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.79 +/- 1.84   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  26.30 +/- 1.51   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 = 0.997, support = 4.32, residual support = 113.4:
    * O T QB    LYS+  66 - QG    LYS+  66   2.06 +/- 0.00  92.685% * 84.9975% (1.00  10.0 10.00   4.31 114.00) =  99.376%  kept
          QB    LYS+  65 - QG    LYS+  66   3.77 +/- 0.65   3.754% * 13.1283% (0.57   1.0  1.00   5.46  25.68) =   0.622%  kept
        T QB    LYS+  66 - HG    LEU   67   4.88 +/- 1.40   2.955% *  0.0654% (0.08   1.0 10.00   0.02  10.11) =   0.002%
          HG    LEU  123 - QG    LYS+  66   6.96 +/- 1.31   0.129% *  0.0481% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  11.25 +/- 3.32   0.404% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  15.75 +/- 0.96   0.001% *  0.8040% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.48 +/- 0.88   0.055% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  17.77 +/- 1.71   0.000% *  0.5839% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  12.99 +/- 1.25   0.002% *  0.0619% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  13.31 +/- 0.67   0.001% *  0.0447% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.70 +/- 1.16   0.012% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  16.30 +/- 1.51   0.000% *  0.0762% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  16.50 +/- 2.56   0.001% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  18.13 +/- 1.25   0.000% *  0.0710% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  18.75 +/- 1.76   0.000% *  0.0481% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  16.77 +/- 2.20   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  19.27 +/- 2.39   0.000% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  22.64 +/- 1.81   0.000% *  0.0037% (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 = 4.11, residual support = 114.0:
    * O T QD    LYS+  66 - QG    LYS+  66   2.09 +/- 0.03  99.528% * 98.6006% (1.00  10.0 10.00   4.11 114.00) = 100.000%  kept
        T QD    LYS+  66 - HG    LEU   67   6.67 +/- 1.28   0.223% *  0.0759% (0.08   1.0 10.00   0.02  10.11) =   0.000%
          HG2   LYS+  65 - QG    LYS+  66   6.29 +/- 0.61   0.155% *  0.0716% (0.73   1.0  1.00   0.02  25.68) =   0.000%
        T HD2   LYS+ 121 - QG    LYS+  66  11.63 +/- 1.66   0.005% *  0.7895% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  10.91 +/- 2.32   0.014% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  13.42 +/- 4.02   0.008% *  0.0608% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.65 +/- 1.24   0.035% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  12.10 +/- 4.20   0.020% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  13.99 +/- 1.45   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  15.23 +/- 1.84   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  14.02 +/- 2.03   0.002% *  0.0285% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  14.51 +/- 0.77   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  16.28 +/- 1.91   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  16.95 +/- 0.89   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  13.72 +/- 3.09   0.003% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  15.24 +/- 1.85   0.001% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  14.58 +/- 1.52   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  20.40 +/- 3.51   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 = 3.42, residual support = 114.0:
    * O T QE    LYS+  66 - QG    LYS+  66   2.16 +/- 0.12  99.259% * 99.5585% (1.00  10.0 10.00   3.42 114.00) =  99.999%  kept
        T QE    LYS+  66 - HG    LEU   67   7.58 +/- 1.86   0.696% *  0.0766% (0.08   1.0 10.00   0.02  10.11) =   0.001%
          HB2   ASN   69 - QG    LYS+  66  11.32 +/- 0.87   0.005% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   8.30 +/- 0.83   0.039% *  0.0024% (0.02   1.0  1.00   0.02   2.97) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  20.72 +/- 1.01   0.000% *  0.2217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  21.85 +/- 0.90   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  21.01 +/- 1.77   0.000% *  0.0171% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.65 +/- 1.50   0.000% *  0.0066% (0.07   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 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 114.0:
    *   T HA    LYS+  66 - QD    LYS+  66   2.60 +/- 0.48  99.876% * 99.8184% (1.00 10.00   4.43 114.00) = 100.000%  kept
          HA1   GLY   16 - QD    LYS+  66   9.55 +/- 1.36   0.116% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HD2   LYS+ 121  14.66 +/- 1.95   0.006% *  0.1241% (0.12 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  22.55 +/- 0.90   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  26.02 +/- 1.09   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  19.58 +/- 2.41   0.001% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  24.82 +/- 2.35   0.000% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  27.38 +/- 2.27   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 = 0.98, support = 4.47, residual support = 109.9:
    * O T QB    LYS+  66 - QD    LYS+  66   2.26 +/- 0.17  91.498% * 63.5425% (1.00  10.0 10.00   4.42 114.00) =  95.324%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.04 +/- 1.01   7.926% * 35.9749% (0.57   1.0 10.00   5.32  25.68) =   4.675%  kept
          HG    LEU  123 - QD    LYS+  66   7.06 +/- 1.75   0.492% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HD2   LYS+ 121  10.90 +/- 1.69   0.012% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.58 +/- 1.06   0.047% *  0.0045% (0.07   1.0  1.00   0.02   2.30) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  14.92 +/- 1.44   0.001% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  13.85 +/- 0.64   0.002% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  15.90 +/- 3.11   0.008% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  16.40 +/- 0.86   0.001% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  16.91 +/- 1.28   0.001% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  12.91 +/- 1.72   0.004% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  13.25 +/- 1.46   0.003% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  18.30 +/- 1.69   0.000% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.81 +/- 1.02   0.000% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  14.93 +/- 1.89   0.002% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  19.23 +/- 1.42   0.000% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  16.42 +/- 1.94   0.001% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  19.81 +/- 2.48   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 = 4.11, residual support = 114.0:
    * O T QG    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.588% * 98.6304% (1.00  10.0 10.00   4.11 114.00) =  99.999%  kept
        T HG    LEU   67 - QD    LYS+  66   6.67 +/- 1.28   0.223% *  0.3702% (0.38   1.0 10.00   0.02  10.11) =   0.001%
          HB3   LEU   67 - QD    LYS+  66   7.10 +/- 0.46   0.071% *  0.0933% (0.95   1.0  1.00   0.02  10.11) =   0.000%
          QB    ALA   61 - QD    LYS+  66   7.36 +/- 0.65   0.063% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  11.31 +/- 2.13   0.011% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HD2   LYS+ 121  11.63 +/- 1.66   0.005% *  0.1226% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  10.29 +/- 1.28   0.009% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  13.42 +/- 4.02   0.008% *  0.0460% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  11.91 +/- 1.89   0.005% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  12.48 +/- 1.12   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  15.34 +/- 0.96   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  14.86 +/- 1.95   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  14.75 +/- 1.38   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.03 +/- 2.40   0.006% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  14.08 +/- 3.20   0.003% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  15.70 +/- 2.65   0.001% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  14.70 +/- 1.23   0.001% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  21.38 +/- 1.81   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  18.20 +/- 1.94   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  23.90 +/- 1.31   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  23.63 +/- 1.52   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  21.18 +/- 2.33   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  25.77 +/- 3.29   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  25.54 +/- 2.99   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 = 3.42, residual support = 114.0:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.988% * 99.4957% (1.00  10.0 10.00   3.42 114.00) = 100.000%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  11.51 +/- 1.88   0.006% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  66  11.54 +/- 0.98   0.004% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  21.33 +/- 1.29   0.000% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  22.38 +/- 0.86   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  16.50 +/- 2.60   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  25.33 +/- 1.56   0.000% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  23.08 +/- 2.23   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 = 114.0:
    *   T HA    LYS+  66 - QE    LYS+  66   4.09 +/- 0.30  97.686% * 99.7309% (1.00 10.00   3.74 114.00) = 100.000%  kept
          HA    LYS+  81 - HB2   ASP-  76   8.05 +/- 0.60   1.950% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QE    LYS+  66  10.98 +/- 1.44   0.346% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  23.26 +/- 0.89   0.003% *  0.2073% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  23.30 +/- 1.49   0.003% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  26.56 +/- 1.22   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  20.25 +/- 1.25   0.008% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.30 +/- 1.43   0.002% *  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 = 0.993, support = 3.75, residual support = 112.5:
    *   T QB    LYS+  66 - QE    LYS+  66   3.04 +/- 0.63  79.118% * 87.7552% (1.00 10.00   3.74 114.00) =  98.317%  kept
          QB    LYS+  65 - QE    LYS+  66   5.37 +/- 0.85  10.274% * 11.5196% (0.57  1.00   4.64  25.68) =   1.676%  kept
          HG    LEU  123 - QE    LYS+  66   6.13 +/- 1.95  10.554% *  0.0497% (0.57  1.00   0.02   0.02) =   0.007%
          HB2   LEU   71 - QE    LYS+  66  14.71 +/- 1.04   0.009% *  0.0462% (0.53  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  66  16.90 +/- 1.22   0.004% *  0.0830% (0.95  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  16.86 +/- 1.34   0.004% *  0.0787% (0.90  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  19.97 +/- 0.77   0.001% *  0.1824% (0.21 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  18.27 +/- 1.94   0.003% *  0.0603% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  14.98 +/- 1.51   0.012% *  0.0164% (0.19  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  18.91 +/- 1.38   0.002% *  0.0733% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  19.23 +/- 1.68   0.002% *  0.0497% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.35 +/- 1.70   0.005% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  17.68 +/- 0.72   0.003% *  0.0173% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  16.96 +/- 0.88   0.004% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  18.36 +/- 0.87   0.003% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  20.26 +/- 1.02   0.001% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  23.04 +/- 0.99   0.001% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  27.10 +/- 1.76   0.000% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.18 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 = 3.42, residual support = 114.0:
    * O T QG    LYS+  66 - QE    LYS+  66   2.16 +/- 0.12  98.693% * 98.5716% (1.00  10.0 10.00   3.42 114.00) =  99.997%  kept
        T HG    LEU   67 - QE    LYS+  66   7.58 +/- 1.86   0.692% *  0.3700% (0.38   1.0 10.00   0.02  10.11) =   0.003%
          HB3   LEU   67 - QE    LYS+  66   8.17 +/- 1.00   0.050% *  0.0932% (0.95   1.0  1.00   0.02  10.11) =   0.000%
          QB    ALA   61 - QE    LYS+  66   8.17 +/- 0.56   0.039% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   ASP-  76   6.95 +/- 1.10   0.149% *  0.0133% (0.13   1.0  1.00   0.02   3.23) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.92 +/- 0.96   0.353% *  0.0036% (0.04   1.0  1.00   0.02   3.23) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  11.53 +/- 1.86   0.007% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  12.86 +/- 1.27   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  14.60 +/- 1.89   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  12.18 +/- 1.04   0.004% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  16.23 +/- 0.87   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  12.91 +/- 1.18   0.003% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  15.96 +/- 1.37   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  20.72 +/- 1.01   0.000% *  0.2049% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  13.89 +/- 1.34   0.002% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  15.38 +/- 2.60   0.001% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  21.38 +/- 2.04   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  21.01 +/- 1.77   0.000% *  0.0769% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  24.62 +/- 1.69   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  20.98 +/- 1.62   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  19.51 +/- 1.10   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  20.37 +/- 1.06   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  24.30 +/- 1.58   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  26.27 +/- 1.15   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 = 3.42, residual support = 114.0:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  99.747% * 98.3437% (1.00  10.0 10.00   3.42 114.00) = 100.000%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  11.51 +/- 1.88   0.006% *  0.7875% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  66   8.11 +/- 0.77   0.037% *  0.0714% (0.73   1.0  1.00   0.02  25.68) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  10.91 +/- 2.54   0.013% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.52 +/- 1.05   0.095% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   7.99 +/- 1.29   0.057% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   8.36 +/- 1.28   0.042% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  15.74 +/- 1.98   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  15.39 +/- 0.88   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  16.20 +/- 1.82   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  21.33 +/- 1.29   0.000% *  0.2045% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  16.07 +/- 0.79   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  18.30 +/- 0.76   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  25.33 +/- 1.56   0.000% *  0.1637% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  18.52 +/- 1.14   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  22.47 +/- 1.92   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  24.05 +/- 1.09   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  24.87 +/- 1.37   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   2.65 +/- 0.17  99.996% * 98.6006% (0.84  10.0 10.00   2.00  35.75) = 100.000%  kept
          HG3   GLU- 100 - HA    PRO   68  15.77 +/- 1.28   0.003% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   24 - HA    PRO   68  25.15 +/- 1.90   0.000% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  18.01 +/- 1.13   0.001% *  0.1157% (0.98   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 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   2.65 +/- 0.17 100.000% * 99.1920% (0.84  10.0 10.00   2.00  35.75) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  25.15 +/- 1.90   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 = 3.31, residual support = 59.6:
    * O T HB2   ASN   69 - HA    ASN   69   2.52 +/- 0.12  99.932% * 99.7955% (1.00  10.0 10.00   3.31  59.64) = 100.000%  kept
          QE    LYS+  33 - HA    ASN   69  10.94 +/- 2.60   0.049% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HA    ASN   69  11.50 +/- 1.53   0.019% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  23.27 +/- 1.07   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  27.66 +/- 0.82   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 = 3.0, residual support = 59.6:
    * O T HB3   ASN   69 - HA    ASN   69   2.51 +/- 0.17  99.957% * 99.7714% (1.00  10.0 10.00   3.00  59.64) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69   9.51 +/- 0.87   0.040% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  15.05 +/- 1.33   0.003% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  23.66 +/- 1.02   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 = 3.31, residual support = 59.6:
    * O T HA    ASN   69 - HB2   ASN   69   2.52 +/- 0.12  99.998% * 99.8126% (1.00  10.0 10.00   3.31  59.64) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  15.41 +/- 0.57   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  23.14 +/- 0.83   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 = 59.6:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.998% * 99.7714% (1.00  10.0 10.00   3.97  59.64) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  11.29 +/- 0.72   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  16.53 +/- 1.34   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  24.99 +/- 0.90   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.6:
    * O T HA    ASN   69 - HB3   ASN   69   2.51 +/- 0.17  99.998% * 99.8126% (1.00  10.0 10.00   3.00  59.64) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  16.04 +/- 0.48   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  23.63 +/- 0.86   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 = 59.6:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.996% * 99.7955% (1.00  10.0 10.00   3.97  59.64) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  11.42 +/- 1.89   0.002% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  12.42 +/- 2.67   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  25.28 +/- 0.91   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  29.60 +/- 0.76   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 81.5:
    * O T HB    VAL   70 - HA    VAL   70   2.87 +/- 0.29  98.927% * 97.2460% (1.00  10.0 10.00   4.31  81.50) = 100.000%  kept
        T QG    GLN   17 - HA    VAL   70  11.12 +/- 1.16   0.034% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    SER   48   7.62 +/- 1.51   0.747% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70   9.98 +/- 1.18   0.091% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   SER   82  12.05 +/- 3.55   0.044% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  11.88 +/- 0.57   0.023% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70   9.92 +/- 0.93   0.078% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.04 +/- 1.20   0.045% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  18.01 +/- 1.24   0.002% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  23.39 +/- 1.84   0.000% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  17.72 +/- 2.76   0.003% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  23.21 +/- 1.00   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  26.38 +/- 2.11   0.000% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.85 +/- 0.69   0.001% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  18.61 +/- 1.26   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  20.31 +/- 1.60   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  21.23 +/- 0.52   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  27.93 +/- 3.58   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  29.73 +/- 3.50   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  31.07 +/- 1.22   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  32.35 +/- 0.39   0.000% *  0.0044% (0.05   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 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 4.91, residual support = 80.5:
    * O T QG1   VAL   70 - HA    VAL   70   2.48 +/- 0.35  90.977% * 80.5331% (1.00  10.0 10.00   4.92  81.50) =  97.977%  kept
          QD1   LEU   71 - HA    VAL   70   5.20 +/- 1.19   8.871% * 17.0470% (0.92   1.0  1.00   4.59  32.68) =   2.022%  kept
        T QG1   VAL   18 - HA    VAL   70   9.88 +/- 0.91   0.030% *  0.7894% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   70   8.97 +/- 1.31   0.061% *  0.0456% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  10.95 +/- 2.00   0.030% *  0.0743% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  11.65 +/- 1.18   0.012% *  0.1798% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  11.12 +/- 0.77   0.014% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  16.50 +/- 1.42   0.001% *  0.3825% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  22.94 +/- 1.99   0.000% *  0.3903% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  20.42 +/- 1.11   0.000% *  0.1835% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  21.56 +/- 1.80   0.000% *  0.1694% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  18.35 +/- 2.64   0.001% *  0.0360% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  18.75 +/- 1.20   0.001% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  19.45 +/- 1.51   0.001% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  27.29 +/- 1.80   0.000% *  0.0360% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  25.60 +/- 2.36   0.000% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  27.66 +/- 3.18   0.000% *  0.0237% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  27.29 +/- 1.04   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.5:
    * O T QG2   VAL   70 - HA    VAL   70   2.47 +/- 0.16  99.999% * 99.2926% (0.80  10.0 10.00   4.00  81.50) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  20.53 +/- 1.99   0.000% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  18.48 +/- 0.67   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 = 81.5:
    * O T HA    VAL   70 - HB    VAL   70   2.87 +/- 0.29  89.482% * 98.3567% (1.00  10.0 10.00   4.31  81.50) =  99.999%  kept
          HA    VAL   18 - QG    GLN   17   5.33 +/- 0.75   4.528% *  0.0125% (0.13   1.0  1.00   0.02  50.10) =   0.001%
          HA1   GLY   16 - QG    GLN   17   4.82 +/- 0.47   5.331% *  0.0036% (0.04   1.0  1.00   0.02  16.50) =   0.000%
          HA    VAL   18 - HB    VAL   70   8.74 +/- 0.91   0.176% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    VAL   70   7.85 +/- 1.29   0.365% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QG    GLN   17  11.12 +/- 1.16   0.031% *  0.1827% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    VAL   70  10.53 +/- 0.91   0.044% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  14.21 +/- 1.97   0.012% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  14.13 +/- 0.95   0.007% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.63 +/- 0.75   0.002% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  26.38 +/- 2.11   0.000% *  0.5966% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  23.21 +/- 1.00   0.000% *  0.2453% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  15.20 +/- 1.47   0.006% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  18.01 +/- 1.24   0.002% *  0.0456% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  13.79 +/- 1.14   0.009% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  23.39 +/- 1.84   0.000% *  0.1108% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  17.06 +/- 1.39   0.003% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  18.25 +/- 1.42   0.002% *  0.0183% (0.19   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 = 5.32, residual support = 81.5:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.01  99.033% * 99.3444% (1.00  10.0 10.00   5.32  81.50) =  99.999%  kept
          QD1   LEU   71 - HB    VAL   70   6.70 +/- 0.89   0.188% *  0.0917% (0.92   1.0  1.00   0.02  32.68) =   0.000%
          HB3   LEU   63 - HB    VAL   70   6.53 +/- 1.53   0.303% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.83 +/- 0.68   0.338% *  0.0181% (0.18   1.0  1.00   0.02  50.10) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   9.76 +/- 1.44   0.022% *  0.1845% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   70   9.16 +/- 1.92   0.041% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL   70   9.04 +/- 1.13   0.026% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   8.81 +/- 1.43   0.036% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  11.03 +/- 0.94   0.006% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  11.28 +/- 1.18   0.005% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  13.75 +/- 1.75   0.002% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  19.81 +/- 1.19   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 = 81.5:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.02  99.982% * 99.8146% (0.80  10.0 10.00   4.31  81.50) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   9.29 +/- 0.93   0.018% *  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 = 4.92, residual support = 81.5:
    * O T HA    VAL   70 - QG1   VAL   70   2.48 +/- 0.35  97.896% * 98.1637% (1.00  10.0 10.00   4.92  81.50) =  99.997%  kept
        T HA    VAL   18 - QG1   VAL   70   8.65 +/- 1.08   0.305% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QG1   VAL   70   7.53 +/- 1.59   1.706% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG1   VAL   70   8.79 +/- 0.90   0.064% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  11.59 +/- 1.56   0.017% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  12.21 +/- 0.88   0.009% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  15.40 +/- 0.69   0.002% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  22.94 +/- 1.99   0.000% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  20.42 +/- 1.11   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.32, residual support = 81.5:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.01  99.938% * 98.7774% (1.00  10.0 10.00   5.32  81.50) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   9.76 +/- 1.44   0.022% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70  10.08 +/- 0.57   0.009% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   9.59 +/- 1.22   0.018% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70   9.92 +/- 1.16   0.012% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  19.23 +/- 0.68   0.000% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  18.35 +/- 0.71   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 = 4.92, residual support = 81.5:
    * O T QG2   VAL   70 - QG1   VAL   70   2.04 +/- 0.06 100.000% *100.0000% (0.80  10.0 10.00   4.92  81.50) = 100.000%  kept
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 63.87 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.5:
    * O T HA    VAL   70 - QG2   VAL   70   2.47 +/- 0.16  99.292% * 98.7631% (0.80  10.0 10.00   4.00  81.50) = 100.000%  kept
          HA    VAL   18 - QG2   VAL   70   7.09 +/- 0.67   0.244% *  0.0678% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG2   VAL   70   7.74 +/- 1.32   0.366% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   VAL   70   8.66 +/- 0.58   0.065% *  0.0481% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  11.56 +/- 1.59   0.014% *  0.0988% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  11.04 +/- 0.69   0.015% *  0.0857% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.50 +/- 0.59   0.004% *  0.0717% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  20.53 +/- 1.99   0.000% *  0.5990% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  18.48 +/- 0.67   0.001% *  0.2463% (0.20   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, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.5:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.02  99.917% * 98.7774% (0.80  10.0 10.00   4.31  81.50) = 100.000%  kept
        T QG    GLN   17 - QG2   VAL   70   9.29 +/- 0.93   0.018% *  0.9790% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG2   VAL   70   8.01 +/- 0.44   0.037% *  0.0755% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   9.40 +/- 0.97   0.018% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  10.13 +/- 0.63   0.009% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  17.02 +/- 0.58   0.000% *  0.0934% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  16.09 +/- 0.46   0.001% *  0.0246% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.92, residual support = 81.5:
    * O T QG1   VAL   70 - QG2   VAL   70   2.04 +/- 0.06  98.072% * 99.6017% (0.80  10.0 10.00   4.92  81.50) =  99.998%  kept
          QD1   LEU   71 - QG2   VAL   70   4.78 +/- 0.56   0.959% *  0.0919% (0.74   1.0  1.00   0.02  32.68) =   0.001%
          HB3   LEU   63 - QG2   VAL   70   5.25 +/- 1.05   0.778% *  0.0564% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   70   7.96 +/- 1.68   0.085% *  0.0919% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL   70   7.12 +/- 0.86   0.077% *  0.0976% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   8.09 +/- 0.62   0.028% *  0.0604% (0.49   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, 63.87 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.64)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 138.7:
    * O T HB2   LEU   71 - HA    LEU   71   2.99 +/- 0.03  99.390% * 99.5520% (1.00  10.0 10.00   5.31 138.72) = 100.000%  kept
          HB3   GLN   17 - HA    LEU   71   9.06 +/- 1.17   0.183% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   71   8.37 +/- 0.90   0.282% *  0.0340% (0.34   1.0  1.00   0.02   4.34) =   0.000%
          QB    LYS+  65 - HA    LEU   71  10.92 +/- 0.79   0.047% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.06 +/- 0.75   0.079% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  14.73 +/- 1.31   0.008% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.21 +/- 0.60   0.009% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  19.91 +/- 0.78   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 = 138.7:
    * O T HB3   LEU   71 - HA    LEU   71   2.59 +/- 0.11  99.994% * 99.6783% (1.00  10.0 10.00   4.31 138.72) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  13.81 +/- 0.59   0.005% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  23.16 +/- 2.53   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  23.26 +/- 1.99   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  22.09 +/- 1.87   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  24.47 +/- 1.63   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 = 4.04, residual support = 137.2:
    *   T QD1   LEU   71 - HA    LEU   71   3.31 +/- 0.55  91.984% * 81.8486% (1.00 10.00   4.03 138.72) =  98.536%  kept
          QG1   VAL   70 - HA    LEU   71   5.46 +/- 0.38   6.240% * 17.9049% (0.92  1.00   4.74  32.68) =   1.462%  kept
          QG1   VAL   18 - HA    LEU   71   7.09 +/- 0.78   1.272% *  0.0684% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU   71   9.54 +/- 1.61   0.430% *  0.0279% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU   71  13.06 +/- 1.81   0.055% *  0.0818% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  14.18 +/- 0.70   0.019% *  0.0684% (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 = 138.7:
    *   T QD2   LEU   71 - HA    LEU   71   2.16 +/- 0.32  98.825% * 99.6055% (1.00 10.00   5.00 138.72) =  99.999%  kept
          QD1   LEU   67 - HA    LEU   71   6.08 +/- 1.66   1.062% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LEU   71   7.45 +/- 0.72   0.096% *  0.0409% (0.41  1.00   0.02   1.78) =   0.000%
          QG2   ILE  119 - HA    LEU   71  12.53 +/- 1.61   0.006% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  12.31 +/- 0.69   0.006% *  0.0684% (0.69  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  13.19 +/- 0.95   0.003% *  0.0976% (0.98  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.41 +/- 0.46   0.003% *  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 = 138.7:
    * O T HA    LEU   71 - HB2   LEU   71   2.99 +/- 0.03  99.500% * 99.9402% (1.00  10.0 10.00   5.31 138.72) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   7.48 +/- 0.62   0.467% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  11.46 +/- 0.47   0.032% *  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 = 138.7:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 99.6783% (1.00  10.0 10.00   4.97 138.72) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  12.61 +/- 0.85   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  23.61 +/- 2.60   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  20.71 +/- 2.13   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  23.63 +/- 2.05   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  24.09 +/- 1.66   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 = 138.7:
    * O T QD1   LEU   71 - HB2   LEU   71   2.28 +/- 0.18  99.596% * 99.6081% (1.00  10.0 10.00   4.97 138.72) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU   71   6.10 +/- 0.19   0.319% *  0.0919% (0.92   1.0  1.00   0.02  32.68) =   0.000%
          QG1   VAL   18 - HB2   LEU   71   8.11 +/- 0.73   0.062% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  10.54 +/- 1.47   0.016% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  13.83 +/- 1.96   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  12.77 +/- 0.95   0.004% *  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 = 138.7:
    * O T QD2   LEU   71 - HB2   LEU   71   3.14 +/- 0.22  96.262% * 99.6055% (1.00  10.0 10.00   5.44 138.72) =  99.998%  kept
          QD2   LEU   40 - HB2   LEU   71   6.21 +/- 0.90   2.672% *  0.0409% (0.41   1.0  1.00   0.02   1.78) =   0.001%
          QD1   LEU   67 - HB2   LEU   71   7.52 +/- 1.27   0.908% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   71  11.19 +/- 1.09   0.065% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  13.24 +/- 1.85   0.031% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  11.68 +/- 0.69   0.040% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  12.91 +/- 0.63   0.022% *  0.0684% (0.69   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 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.7:
    * O T HA    LEU   71 - HB3   LEU   71   2.59 +/- 0.11  99.900% * 99.9402% (1.00  10.0 10.00   4.31 138.72) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   8.63 +/- 0.89   0.087% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  11.73 +/- 1.12   0.013% *  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 = 138.7:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.927% * 99.3538% (1.00  10.0 10.00   4.97 138.72) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   6.75 +/- 1.21   0.068% *  0.0339% (0.34   1.0  1.00   0.02   4.34) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  12.85 +/- 0.92   0.001% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   LEU   71  11.09 +/- 1.38   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  13.30 +/- 1.55   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.92 +/- 0.70   0.001% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.70 +/- 0.59   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  20.62 +/- 0.95   0.000% *  0.0796% (0.80   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 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 = 138.7:
    * O T QD1   LEU   71 - HB3   LEU   71   2.80 +/- 0.41  98.191% * 99.6081% (1.00  10.0 10.00   3.71 138.72) =  99.998%  kept
          QG1   VAL   70 - HB3   LEU   71   6.08 +/- 0.58   1.480% *  0.0919% (0.92   1.0  1.00   0.02  32.68) =   0.001%
          QG1   VAL   18 - HB3   LEU   71   8.34 +/- 0.92   0.263% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  11.06 +/- 1.48   0.043% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB3   LEU   71  14.10 +/- 1.87   0.011% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  13.53 +/- 1.17   0.013% *  0.0832% (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 = 138.7:
    * O T QD2   LEU   71 - HB3   LEU   71   2.39 +/- 0.22  99.289% * 99.6055% (1.00  10.0 10.00   4.44 138.72) = 100.000%  kept
          QD2   LEU   40 - HB3   LEU   71   6.81 +/- 1.14   0.392% *  0.0409% (0.41   1.0  1.00   0.02   1.78) =   0.000%
          QD1   LEU   67 - HB3   LEU   71   7.52 +/- 1.51   0.295% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  12.14 +/- 1.11   0.008% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  13.64 +/- 1.74   0.005% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  12.57 +/- 0.78   0.006% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  13.43 +/- 0.95   0.004% *  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 = 4.03, residual support = 138.7:
    *   T HA    LEU   71 - QD1   LEU   71   3.31 +/- 0.55  97.756% * 99.9402% (1.00 10.00   4.03 138.72) =  99.999%  kept
          HA    VAL   43 - QD1   LEU   71   7.24 +/- 1.23   1.985% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD1   LEU   71   9.36 +/- 1.50   0.260% *  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 = 138.7:
    * O T HB2   LEU   71 - QD1   LEU   71   2.28 +/- 0.18  97.147% * 99.5520% (1.00  10.0 10.00   4.97 138.72) =  99.999%  kept
          HB    VAL   41 - QD1   LEU   71   5.78 +/- 1.42   2.766% *  0.0340% (0.34   1.0  1.00   0.02   4.34) =   0.001%
          HB3   GLN   17 - QD1   LEU   71   9.34 +/- 1.82   0.048% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  11.49 +/- 1.72   0.010% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  11.55 +/- 1.06   0.008% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  10.78 +/- 0.84   0.011% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  11.08 +/- 1.14   0.009% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  17.61 +/- 1.04   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 = 138.7:
    * O T HB3   LEU   71 - QD1   LEU   71   2.80 +/- 0.41  99.957% * 99.6783% (1.00  10.0 10.00   3.71 138.72) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  11.57 +/- 1.15   0.038% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  18.09 +/- 2.39   0.003% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  21.10 +/- 2.17   0.001% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  21.15 +/- 1.90   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.61 +/- 1.65   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 0.06 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 138.7:
    * O T QD2   LEU   71 - QD1   LEU   71   2.02 +/- 0.06  99.716% * 99.6055% (1.00  10.0 10.00   4.15 138.72) = 100.000%  kept
          QD2   LEU   40 - QD1   LEU   71   6.38 +/- 0.88   0.144% *  0.0409% (0.41   1.0  1.00   0.02   1.78) =   0.000%
          QD1   LEU   67 - QD1   LEU   71   7.09 +/- 1.38   0.120% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  10.41 +/- 1.14   0.007% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.12 +/- 1.52   0.005% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  12.27 +/- 1.61   0.003% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  10.96 +/- 0.79   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 = 138.7:
    *   T HA    LEU   71 - QD2   LEU   71   2.16 +/- 0.32  99.525% * 99.9402% (1.00 10.00   5.00 138.72) = 100.000%  kept
          HA    VAL   43 - QD2   LEU   71   8.34 +/- 1.13   0.435% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD2   LEU   71   9.31 +/- 0.76   0.040% *  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 = 138.7:
    * O T HB2   LEU   71 - QD2   LEU   71   3.14 +/- 0.22  97.755% * 99.3538% (1.00  10.0 10.00   5.44 138.72) =  99.999%  kept
          HB3   GLN   17 - QD2   LEU   71   7.93 +/- 1.45   0.847% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QD2   LEU   71   7.44 +/- 1.30   1.152% *  0.0339% (0.34   1.0  1.00   0.02   4.34) =   0.000%
          QB    LYS+  65 - QD2   LEU   71  10.60 +/- 0.90   0.083% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU   71  10.08 +/- 0.76   0.109% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  12.61 +/- 0.91   0.025% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  12.72 +/- 1.39   0.027% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  18.24 +/- 1.05   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 = 138.7:
    * O T HB3   LEU   71 - QD2   LEU   71   2.39 +/- 0.22  99.989% * 99.2790% (1.00  10.0 10.00   4.44 138.72) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  12.60 +/- 0.94   0.010% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  22.28 +/- 1.50   0.000% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  19.30 +/- 2.04   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  21.30 +/- 2.04   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  21.41 +/- 1.66   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 138.7:
    * O T QD1   LEU   71 - QD2   LEU   71   2.02 +/- 0.06  99.719% * 99.6081% (1.00  10.0 10.00   4.15 138.72) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU   71   5.91 +/- 0.35   0.174% *  0.0919% (0.92   1.0  1.00   0.02  32.68) =   0.000%
          QG1   VAL   18 - QD2   LEU   71   6.73 +/- 0.76   0.094% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU   71  10.03 +/- 1.32   0.009% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  12.52 +/- 1.50   0.002% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  13.11 +/- 0.75   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 4.07, residual support = 90.4:
    * O T HB2   PHE   72 - HA    PHE   72   2.93 +/- 0.22  98.422% * 99.8683% (0.64  10.0 10.00   4.07  90.36) =  99.999%  kept
          HA    ALA   64 - HA    PHE   72   5.93 +/- 0.37   1.551% *  0.0868% (0.55   1.0  1.00   0.02  38.83) =   0.001%
          HB3   ASN   69 - HA    PHE   72  11.66 +/- 0.37   0.027% *  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 = 4.6, residual support = 90.4:
    * O T HB3   PHE   72 - HA    PHE   72   2.72 +/- 0.24  98.135% * 99.4196% (0.66  10.0 10.00   4.60  90.36) =  99.998%  kept
          HB2   ASP-  44 - HA    PHE   72   5.78 +/- 0.68   1.688% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - HA    PHE   72   8.91 +/- 1.43   0.136% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    PHE   72  12.49 +/- 1.59   0.017% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  12.31 +/- 1.22   0.015% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.56 +/- 0.76   0.007% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  20.12 +/- 2.14   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  19.72 +/- 1.21   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 = 90.4:
    * O T HA    PHE   72 - HB2   PHE   72   2.93 +/- 0.22 100.000% *100.0000% (0.64  10.0 10.00   4.07  90.36) = 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 = 4.18, residual support = 90.4:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.854% * 99.4196% (0.72  10.0 10.00   4.18  90.36) = 100.000%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.66 +/- 1.37   0.102% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   PHE   72   7.71 +/- 1.71   0.038% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  10.85 +/- 1.79   0.004% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  12.92 +/- 1.31   0.001% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  18.88 +/- 1.80   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  14.42 +/- 1.09   0.000% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  20.79 +/- 1.38   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.6, residual support = 90.4:
    * O T HA    PHE   72 - HB3   PHE   72   2.72 +/- 0.24 100.000% *100.0000% (0.66  10.0 10.00   4.60  90.36) = 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 = 4.18, residual support = 90.4:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.468% * 99.8683% (0.72  10.0 10.00   4.18  90.36) = 100.000%  kept
          HA    ALA   64 - HB3   PHE   72   4.53 +/- 0.62   0.531% *  0.0868% (0.63   1.0  1.00   0.02  38.83) =   0.000%
          HB3   ASN   69 - HB3   PHE   72  11.88 +/- 0.66   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 = 170.8:
    * O T HB2   LEU   73 - HA    LEU   73   2.52 +/- 0.27  99.979% * 99.4108% (1.00  10.0 10.00   5.00 170.80) = 100.000%  kept
          QG1   ILE   56 - HA    LEU   73  12.78 +/- 0.90   0.009% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LEU   73  15.48 +/- 1.31   0.003% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LEU   73  15.49 +/- 0.73   0.002% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  16.16 +/- 0.93   0.002% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  17.56 +/- 0.53   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  16.05 +/- 0.71   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.47 +/- 1.94   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.31 +/- 0.90   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  23.94 +/- 1.21   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 = 170.8:
    * O T HB3   LEU   73 - HA    LEU   73   2.75 +/- 0.28  93.727% * 99.1728% (1.00  10.0 10.00   5.11 170.80) =  99.998%  kept
          HB3   LYS+  74 - HA    LEU   73   4.62 +/- 0.40   5.521% *  0.0174% (0.18   1.0  1.00   0.02  40.40) =   0.001%
          HB    VAL   42 - HA    LEU   73   6.79 +/- 0.66   0.626% *  0.0983% (0.99   1.0  1.00   0.02   1.54) =   0.001%
          HG3   LYS+  33 - HA    LEU   73  10.56 +/- 0.99   0.046% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  12.61 +/- 1.39   0.012% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  11.32 +/- 0.75   0.025% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  15.77 +/- 2.16   0.007% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  12.19 +/- 1.30   0.015% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  13.68 +/- 0.95   0.008% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  16.35 +/- 0.96   0.003% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  14.04 +/- 0.83   0.006% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.78 +/- 1.09   0.001% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  22.13 +/- 1.68   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  18.79 +/- 1.83   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  19.40 +/- 1.49   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 = 170.8:
    *   T QD1   LEU   73 - HA    LEU   73   3.92 +/- 0.13  97.666% * 98.2281% (1.00 10.00   5.00 170.80) =  99.991%  kept
        T QD1   LEU   63 - HA    LEU   73   9.34 +/- 1.06   0.735% *  0.9823% (1.00 10.00   0.02   0.02) =   0.008%
          QD2   LEU   80 - HA    LEU   73   9.29 +/- 1.88   0.834% *  0.0787% (0.80  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   73  14.05 +/- 0.77   0.050% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   73  10.19 +/- 1.21   0.434% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  13.99 +/- 1.92   0.068% *  0.0820% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73  11.65 +/- 2.29   0.213% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.08 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 170.8:
    *   T QD2   LEU   73 - HA    LEU   73   2.38 +/- 0.58  99.489% * 99.4036% (1.00 10.00   6.19 170.80) = 100.000%  kept
          QG1   VAL   43 - HA    LEU   73   6.34 +/- 0.84   0.395% *  0.0276% (0.28  1.00   0.02   7.90) =   0.000%
          HG    LEU   31 - HA    LEU   73   9.25 +/- 0.89   0.055% *  0.0959% (0.97  1.00   0.02   3.33) =   0.000%
          QG1   VAL   41 - HA    LEU   73   9.28 +/- 0.68   0.049% *  0.0446% (0.45  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LEU   73  12.76 +/- 1.46   0.011% *  0.0891% (0.90  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  19.56 +/- 1.05   0.001% *  0.3391% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.12 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 170.8:
    * O T HA    LEU   73 - HB2   LEU   73   2.52 +/- 0.27 100.000% *100.0000% (1.00  10.0 10.00   5.00 170.80) = 100.000%  kept
    Distance limit 4.09 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 = 170.8:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.867% * 95.5463% (1.00  10.0 10.00   5.11 170.80) = 100.000%  kept
          HB    VAL   42 - HB2   LEU   73   6.80 +/- 0.84   0.040% *  0.0947% (0.99   1.0  1.00   0.02   1.54) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73   9.74 +/- 1.07   0.004% *  0.9221% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   5.91 +/- 0.50   0.078% *  0.0167% (0.18   1.0  1.00   0.02  40.40) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  14.75 +/- 1.34   0.000% *  0.9470% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  15.47 +/- 1.45   0.000% *  0.8820% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73  10.10 +/- 1.10   0.004% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  14.34 +/- 1.00   0.000% *  0.3586% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  10.86 +/- 1.81   0.004% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  18.38 +/- 1.46   0.000% *  0.9533% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  16.64 +/- 2.44   0.001% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  12.86 +/- 1.28   0.001% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  22.88 +/- 1.98   0.000% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  19.46 +/- 2.03   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  19.41 +/- 1.33   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.8:
    * O T QD1   LEU   73 - HB2   LEU   73   2.41 +/- 0.14  99.772% * 98.2281% (1.00  10.0 10.00   5.00 170.80) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU   73  10.07 +/- 1.28   0.030% *  0.9823% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   73   8.17 +/- 2.21   0.144% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  13.58 +/- 0.83   0.003% *  0.5561% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  11.00 +/- 1.48   0.019% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73  10.29 +/- 2.66   0.029% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  14.63 +/- 2.37   0.003% *  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 = 170.8:
    * O T QD2   LEU   73 - HB2   LEU   73   2.78 +/- 0.36  92.380% * 98.6124% (1.00  10.0 10.00   6.19 170.80) =  99.997%  kept
          QG1   VAL   43 - HB2   LEU   73   4.95 +/- 1.08   6.961% *  0.0274% (0.28   1.0  1.00   0.02   7.90) =   0.002%
          HG    LEU   31 - HB2   LEU   73   7.21 +/- 0.94   0.479% *  0.0952% (0.97   1.0  1.00   0.02   3.33) =   0.001%
        T QD1   ILE   56 - HB2   LEU   73  13.48 +/- 1.43   0.011% *  0.8844% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB2   LEU   73   8.21 +/- 0.76   0.169% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  19.50 +/- 1.06   0.001% *  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 = 170.8:
    * O T HA    LEU   73 - HB3   LEU   73   2.75 +/- 0.28 100.000% *100.0000% (1.00  10.0 10.00   5.11 170.80) = 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 = 170.8:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.998% * 98.2609% (1.00  10.0 10.00   5.11 170.80) = 100.000%  kept
        T QD    LYS+ 102 - HB3   LEU   73  16.68 +/- 1.19   0.000% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  14.18 +/- 1.79   0.001% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.89 +/- 1.03   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.06 +/- 1.10   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  23.62 +/- 1.38   0.000% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  16.74 +/- 0.78   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  15.94 +/- 0.92   0.000% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  15.08 +/- 0.89   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  20.94 +/- 2.10   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 = 5.1, residual support = 170.8:
    * O T QD1   LEU   73 - HB3   LEU   73   2.32 +/- 0.13  99.828% * 97.5376% (1.00  10.0 10.00   5.10 170.80) =  99.999%  kept
        T QD2   LEU   80 - HB3   LEU   73   8.11 +/- 1.98   0.094% *  0.7810% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   73   9.72 +/- 1.33   0.029% *  0.9754% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  13.35 +/- 1.17   0.004% *  0.5522% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  10.72 +/- 1.43   0.016% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73  10.13 +/- 2.49   0.025% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  14.25 +/- 2.35   0.004% *  0.0815% (0.84   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 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.23, residual support = 170.7:
    * O T QD2   LEU   73 - HB3   LEU   73   2.93 +/- 0.32  75.635% * 99.1570% (1.00  10.0 10.00   6.24 170.80) =  99.913%  kept
        T QG1   VAL   43 - HB3   LEU   73   4.51 +/- 1.49  23.510% *  0.2757% (0.28   1.0 10.00   0.02   7.90) =   0.086%
          HG    LEU   31 - HB3   LEU   73   7.13 +/- 1.01   0.588% *  0.0957% (0.97   1.0  1.00   0.02   3.33) =   0.001%
          QG1   VAL   41 - HB3   LEU   73   8.12 +/- 1.02   0.246% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   73  13.09 +/- 1.53   0.019% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  19.06 +/- 1.43   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 = 170.8:
    *   T HA    LEU   73 - QD1   LEU   73   3.92 +/- 0.13  99.201% * 98.7705% (1.00 10.00   5.00 170.80) =  99.992%  kept
        T HA    LEU   73 - QD1   LEU   63   9.34 +/- 1.06   0.749% *  0.9877% (1.00 10.00   0.02   0.02) =   0.008%
        T HA    LEU   73 - QD1   LEU  104  14.05 +/- 0.77   0.051% *  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 = 0.921, support = 4.7, residual support = 157.2:
    * O T HB2   LEU   73 - QD1   LEU   73   2.41 +/- 0.14  23.764% * 92.1245% (1.00  10.0 10.00   5.00 170.80) =  91.191%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.23 +/- 0.39  38.889% *  3.7260% (0.05   1.0 10.00   1.48  16.88) =   6.036%  kept
          QD    LYS+  99 - QD1   LEU  104   2.35 +/- 0.58  36.914% *  1.8029% (0.23   1.0  1.00   1.73  16.88) =   2.772%  kept
          QG1   ILE   56 - QD1   LEU   63   5.53 +/- 0.66   0.266% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU   63  10.07 +/- 1.28   0.006% *  0.9212% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   63   8.82 +/- 1.33   0.014% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   7.00 +/- 0.98   0.087% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   63   8.91 +/- 1.42   0.012% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63   9.92 +/- 1.12   0.009% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   8.58 +/- 0.56   0.014% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63  10.65 +/- 0.94   0.003% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  11.88 +/- 1.28   0.003% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  11.55 +/- 0.70   0.002% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  13.58 +/- 0.83   0.001% *  0.2255% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  12.02 +/- 1.31   0.002% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  12.56 +/- 1.53   0.002% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  10.54 +/- 1.70   0.004% *  0.0146% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  11.25 +/- 1.11   0.002% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  12.75 +/- 0.90   0.001% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  11.57 +/- 0.66   0.002% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  12.48 +/- 0.67   0.001% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  15.37 +/- 0.71   0.000% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  15.02 +/- 0.51   0.000% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  14.23 +/- 1.21   0.001% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  18.05 +/- 1.69   0.000% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.81 +/- 0.95   0.001% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  21.04 +/- 0.98   0.000% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  18.16 +/- 0.72   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  18.40 +/- 1.74   0.000% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.88 +/- 1.00   0.000% *  0.0137% (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 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 170.8:
    * O T HB3   LEU   73 - QD1   LEU   73   2.32 +/- 0.13  95.373% * 96.9771% (1.00  10.0 10.00   5.10 170.80) =  99.997%  kept
          HB    VAL   42 - QD1   LEU   63   6.17 +/- 1.29   0.802% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU   73   5.71 +/- 0.56   0.548% *  0.0961% (0.99   1.0  1.00   0.02   1.54) =   0.001%
          HG3   LYS+  33 - QD1   LEU   73   6.46 +/- 0.90   0.288% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU   63   9.72 +/- 1.33   0.027% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   5.44 +/- 0.72   0.986% *  0.0089% (0.09   1.0  1.00   0.02   8.47) =   0.000%
          QB    LEU   98 - QD1   LEU   73   7.09 +/- 0.67   0.153% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.55 +/- 0.60   0.045% *  0.0961% (0.99   1.0  1.00   0.02   1.20) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   7.10 +/- 0.86   0.146% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.24 +/- 1.29   0.034% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.80 +/- 1.07   0.107% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.89 +/- 0.41   0.152% *  0.0170% (0.18   1.0  1.00   0.02  40.40) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  10.54 +/- 1.87   0.027% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.25 +/- 1.11   0.063% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.68 +/- 0.89   0.359% *  0.0059% (0.06   1.0  1.00   0.02   8.47) =   0.000%
          QB    ALA   12 - QD1   LEU   73  13.87 +/- 2.21   0.033% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   7.52 +/- 2.17   0.504% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.76 +/- 0.48   0.073% *  0.0219% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   8.55 +/- 0.96   0.052% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   8.45 +/- 1.12   0.062% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63   9.63 +/- 1.05   0.025% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  13.35 +/- 1.17   0.003% *  0.2374% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63   9.97 +/- 1.28   0.021% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.47 +/- 1.02   0.005% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.22 +/- 1.20   0.019% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  11.18 +/- 1.17   0.009% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  13.71 +/- 1.02   0.003% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  10.36 +/- 1.02   0.015% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  13.77 +/- 0.99   0.002% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104   9.39 +/- 1.55   0.046% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  15.19 +/- 1.24   0.002% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  15.31 +/- 1.23   0.001% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.22 +/- 0.49   0.003% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  13.92 +/- 1.41   0.002% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.75 +/- 1.08   0.003% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  17.86 +/- 1.34   0.001% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  20.26 +/- 1.34   0.000% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  16.62 +/- 1.22   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.26 +/- 1.69   0.001% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  16.19 +/- 1.29   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  18.35 +/- 1.80   0.000% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.19 +/- 0.80   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  19.16 +/- 1.81   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  17.77 +/- 1.60   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  17.01 +/- 0.84   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 = 170.8:
    * O T QD2   LEU   73 - QD1   LEU   73   2.06 +/- 0.05  88.082% * 96.6209% (1.00  10.0 10.00   6.19 170.80) =  99.991%  kept
          HG    LEU   31 - QD1   LEU   73   4.03 +/- 0.70   2.494% *  0.0932% (0.97   1.0  1.00   0.02   3.33) =   0.003%
          QG1   VAL   43 - QD1   LEU   73   3.54 +/- 0.79   7.932% *  0.0269% (0.28   1.0  1.00   0.02   7.90) =   0.003%
        T QG1   VAL   41 - QD1   LEU   73   5.35 +/- 0.75   0.428% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.002%
        T QD2   LEU   73 - QD1   LEU   63   8.12 +/- 1.09   0.039% *  0.9662% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   63   5.46 +/- 0.92   0.408% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU  104   6.53 +/- 1.81   0.299% *  0.0807% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   5.99 +/- 0.74   0.212% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   8.86 +/- 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   9.43 +/- 0.92   0.011% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104  10.67 +/- 0.77   0.005% *  0.2365% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.73 +/- 1.04   0.041% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  12.36 +/- 1.12   0.002% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  13.06 +/- 1.34   0.002% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  16.10 +/- 0.97   0.000% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.93 +/- 0.94   0.016% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  12.02 +/- 1.38   0.003% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.23 +/- 0.60   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 = 170.8:
    *   T HA    LEU   73 - QD2   LEU   73   2.38 +/- 0.58  99.999% * 99.6602% (1.00 10.00   6.19 170.80) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.56 +/- 1.05   0.001% *  0.3398% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.07 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 170.8:
    * O T HB2   LEU   73 - QD2   LEU   73   2.78 +/- 0.36  98.766% * 98.3218% (1.00  10.0 10.00   6.19 170.80) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.24 +/- 0.83   0.194% *  0.2169% (0.22   1.0 10.00   0.02   2.30) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121   8.95 +/- 1.83   0.640% *  0.0317% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  11.68 +/- 1.06   0.031% *  0.3035% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121   9.47 +/- 1.87   0.150% *  0.0310% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  12.49 +/- 1.59   0.024% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  11.62 +/- 0.60   0.023% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  13.49 +/- 1.67   0.017% *  0.1035% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  15.45 +/- 1.71   0.008% *  0.0949% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.61 +/- 1.41   0.009% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  11.91 +/- 0.84   0.024% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  10.52 +/- 1.82   0.071% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.79 +/- 0.91   0.010% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  19.50 +/- 1.06   0.001% *  0.3353% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.08 +/- 1.96   0.015% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.94 +/- 1.66   0.003% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  16.04 +/- 1.26   0.004% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.23 +/- 2.93   0.005% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  19.04 +/- 2.57   0.003% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  20.61 +/- 1.62   0.001% *  0.0882% (0.90   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 = 6.21, residual support = 183.1:
    * O T HB3   LEU   73 - QD2   LEU   73   2.93 +/- 0.32  34.881% * 93.5851% (1.00  10.0 10.00   6.24 170.80) =  91.531%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.62 +/- 0.29  61.286% *  4.9240% (0.05  10.0 10.00   5.98 315.73) =   8.462%  kept
          HB    VAL   42 - QD2   LEU   73   4.95 +/- 0.82   2.377% *  0.0928% (0.99   1.0  1.00   0.02   1.54) =   0.006%
          HG3   LYS+  33 - QD2   LEU   73   6.96 +/- 1.43   0.361% *  0.0903% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD2   LEU   73   5.81 +/- 0.49   0.608% *  0.0164% (0.18   1.0  1.00   0.02  40.40) =   0.000%
          QB    LEU   98 - QD2   LEU   73   8.04 +/- 0.77   0.123% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  12.94 +/- 2.28   0.058% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121   8.89 +/- 1.55   0.118% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   73   8.80 +/- 1.59   0.084% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  11.71 +/- 1.09   0.009% *  0.0928% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  13.00 +/- 1.40   0.006% *  0.0864% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  11.88 +/- 1.59   0.010% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  15.84 +/- 1.81   0.002% *  0.1444% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  14.83 +/- 1.26   0.002% *  0.0934% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.70 +/- 0.99   0.038% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  12.78 +/- 1.39   0.006% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  19.06 +/- 1.43   0.000% *  0.3191% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  13.38 +/- 1.11   0.004% *  0.0316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  11.60 +/- 1.29   0.010% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  14.21 +/- 2.41   0.003% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  12.66 +/- 1.48   0.006% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  15.99 +/- 1.36   0.001% *  0.0313% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  19.36 +/- 1.48   0.000% *  0.0917% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.30 +/- 1.67   0.002% *  0.0164% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  16.73 +/- 2.17   0.001% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  19.28 +/- 1.61   0.000% *  0.0316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  22.54 +/- 1.65   0.000% *  0.0308% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  21.71 +/- 2.06   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  26.72 +/- 2.42   0.000% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  21.89 +/- 1.30   0.000% *  0.0056% (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 = 170.8:
    * O T QD1   LEU   73 - QD2   LEU   73   2.06 +/- 0.05  99.405% * 97.3141% (1.00  10.0 10.00   6.19 170.80) =  99.999%  kept
        T QD1   LEU  104 - HG3   LYS+ 121   6.53 +/- 1.81   0.330% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QD2   LEU   73   8.12 +/- 1.09   0.044% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HG3   LYS+ 121   8.86 +/- 1.32   0.027% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73   7.97 +/- 1.93   0.065% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73  10.67 +/- 0.77   0.006% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   8.59 +/- 1.10   0.027% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   8.37 +/- 1.76   0.047% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   9.58 +/- 2.65   0.033% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.43 +/- 0.73   0.013% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  12.27 +/- 1.48   0.003% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  16.10 +/- 0.97   0.000% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  21.38 +/- 2.23   0.000% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  21.23 +/- 3.40   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 = 187.4:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.66 +/- 0.15  99.790% * 99.4757% (0.64  10.0 10.00   6.31 187.42) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   7.84 +/- 0.45   0.167% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  12.34 +/- 1.27   0.014% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  14.04 +/- 0.82   0.005% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  15.02 +/- 1.80   0.004% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  13.81 +/- 1.33   0.006% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.33 +/- 0.72   0.007% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.45 +/- 0.82   0.001% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  14.36 +/- 1.10   0.005% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.72 +/- 1.64   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 = 187.4:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.45 +/- 0.34  99.793% * 99.1206% (0.80  10.0 10.00   6.28 187.42) = 100.000%  kept
          HG13  ILE   19 - HA    LYS+  74   8.91 +/- 0.50   0.065% *  0.0915% (0.74   1.0  1.00   0.02   8.39) =   0.000%
          QG2   ILE   56 - HA    LYS+  74   9.24 +/- 1.87   0.098% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.26 +/- 1.22   0.016% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  11.60 +/- 0.51   0.012% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.39 +/- 0.67   0.009% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  14.03 +/- 1.67   0.006% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  19.52 +/- 1.56   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.38 +/- 1.03   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  21.16 +/- 0.89   0.000% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.786, support = 5.56, residual support = 183.2:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.57 +/- 0.11  73.532% * 92.2590% (0.80  10.0 10.00   5.57 187.42) =  97.272%  kept
          HB    VAL   75 - HA    LYS+  74   4.31 +/- 0.36  25.940% *  7.3324% (0.25   1.0  1.00   5.15  31.88) =   2.727%  kept
          QD2   LEU   71 - HA    LYS+  74   9.63 +/- 0.75   0.235% *  0.0634% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    LYS+  74  10.66 +/- 1.25   0.154% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LYS+  74  12.09 +/- 0.68   0.054% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LYS+  74  12.95 +/- 0.92   0.036% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LYS+  74  14.04 +/- 0.57   0.020% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LYS+  74  13.59 +/- 1.18   0.028% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.39 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.4:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.74 +/- 0.61  99.745% * 99.2156% (0.80 10.00   5.91 187.42) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74   9.46 +/- 1.27   0.174% *  0.0861% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74  11.66 +/- 1.90   0.034% *  0.0483% (0.39  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  12.68 +/- 1.29   0.023% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  13.07 +/- 1.42   0.019% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  19.97 +/- 0.61   0.001% *  0.3384% (0.27 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  17.79 +/- 1.07   0.002% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  21.47 +/- 1.22   0.001% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  21.18 +/- 1.83   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 = 187.4:
    *   T QE    LYS+  74 - HA    LYS+  74   2.74 +/- 0.50  99.316% * 99.7560% (0.80 10.00   4.93 187.42) = 100.000%  kept
          HB2   PHE   72 - HA    LYS+  74   7.00 +/- 0.73   0.616% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    LYS+  74  10.92 +/- 0.97   0.047% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  12.19 +/- 0.70   0.019% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  18.11 +/- 0.40   0.002% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.21 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.4:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.66 +/- 0.15  99.987% * 99.8966% (0.64  10.0 10.00   6.31 187.42) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  12.76 +/- 0.58   0.009% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  14.40 +/- 0.83   0.005% *  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 = 187.4:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.02 +/- 0.03  99.402% * 99.1206% (0.80  10.0 10.00   5.85 187.42) = 100.000%  kept
          HG13  ILE   19 - HB2   LYS+  74   8.02 +/- 1.02   0.374% *  0.0915% (0.74   1.0  1.00   0.02   8.39) =   0.000%
          HG    LEU   71 - HB2   LYS+  74  11.76 +/- 1.32   0.038% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  10.04 +/- 1.83   0.138% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  12.74 +/- 0.91   0.020% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  12.83 +/- 1.03   0.019% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  21.05 +/- 1.58   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  15.89 +/- 1.57   0.006% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  19.84 +/- 1.35   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  22.20 +/- 1.20   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 0.09 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.4:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.66 +/- 0.09  99.273% * 97.9320% (0.80  10.0 10.00   5.27 187.42) =  99.999%  kept
        T QD1   LEU   67 - HB2   LYS+  74  10.89 +/- 1.97   0.051% *  0.9040% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  74   6.34 +/- 0.47   0.610% *  0.0302% (0.25   1.0  1.00   0.02  31.88) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  13.39 +/- 0.77   0.007% *  0.8783% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  74   9.76 +/- 0.84   0.049% *  0.0673% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  15.92 +/- 0.44   0.002% *  0.0960% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  14.91 +/- 0.86   0.004% *  0.0554% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  14.26 +/- 1.11   0.005% *  0.0368% (0.30   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 = 187.4:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.45 +/- 0.42  99.876% * 97.4681% (0.80  10.0 10.00   6.31 187.42) = 100.000%  kept
        T QD    LYS+  65 - HB2   LYS+  74  11.77 +/- 1.14   0.016% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LYS+  74   9.32 +/- 1.41   0.089% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.33 +/- 1.22   0.001% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  13.14 +/- 1.36   0.009% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  13.19 +/- 1.67   0.007% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  23.05 +/- 1.23   0.000% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  20.91 +/- 0.82   0.000% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  22.02 +/- 1.79   0.000% *  0.0552% (0.45   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 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.4:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.80 +/- 0.66  98.673% * 99.7560% (0.80 10.00   4.62 187.42) = 100.000%  kept
          HB2   PHE   72 - HB2   LYS+  74   7.01 +/- 1.08   1.247% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   LYS+  74  11.23 +/- 1.21   0.046% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  12.17 +/- 1.11   0.032% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  18.35 +/- 1.09   0.002% *  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 = 187.4:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.45 +/- 0.34  99.924% * 99.7790% (0.80  10.0 10.00   6.28 187.42) = 100.000%  kept
          HA    THR   94 - HG2   LYS+  74  11.27 +/- 0.83   0.013% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111  10.58 +/- 1.76   0.036% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  12.61 +/- 1.08   0.008% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  19.52 +/- 1.56   0.001% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  11.54 +/- 1.77   0.018% *  0.0030% (0.02   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 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.4:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.02 +/- 0.03  98.448% * 99.3145% (0.80  10.0 10.00   5.85 187.42) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   8.63 +/- 0.61   0.203% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   8.47 +/- 1.67   0.547% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  12.11 +/- 2.12   0.047% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   7.71 +/- 1.35   0.666% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  15.09 +/- 1.66   0.009% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  15.75 +/- 1.28   0.006% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  14.64 +/- 1.64   0.011% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.31 +/- 1.06   0.025% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  18.00 +/- 1.37   0.002% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.52 +/- 1.26   0.009% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  15.06 +/- 1.07   0.007% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  21.05 +/- 1.58   0.001% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  19.80 +/- 2.13   0.002% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  14.19 +/- 2.02   0.014% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  22.89 +/- 1.67   0.001% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.94 +/- 1.71   0.001% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  22.11 +/- 3.71   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  23.52 +/- 1.34   0.000% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.20 +/- 1.70   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 0.21 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 = 187.4:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.845% * 99.3075% (1.00  10.0 10.00   4.54 187.42) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.49 +/- 0.75   0.147% *  0.0307% (0.31   1.0  1.00   0.02  31.88) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  10.90 +/- 1.15   0.002% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  11.38 +/- 1.24   0.002% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  13.58 +/- 1.22   0.001% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.47 +/- 0.97   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.45 +/- 1.09   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  13.96 +/- 1.62   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  20.34 +/- 1.69   0.000% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.23 +/- 1.30   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  14.67 +/- 1.46   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  22.28 +/- 1.50   0.000% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  15.57 +/- 1.43   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.94 +/- 3.19   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.50 +/- 1.60   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  19.35 +/- 1.90   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 = 0.925, support = 5.53, residual support = 197.9:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.76 +/- 0.22  49.838% * 89.4618% (1.00  10.0 10.00   5.54 187.42) =  91.790%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.75 +/- 0.25  49.930% *  7.9861% (0.09  10.0 10.00   5.40 315.30) =   8.209%  kept
          QB    ALA   57 - HG2   LYS+  74   8.48 +/- 1.56   0.197% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.37 +/- 2.04   0.010% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.40 +/- 1.41   0.003% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.41 +/- 1.96   0.008% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  21.50 +/- 1.47   0.000% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.07 +/- 1.41   0.008% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.65 +/- 1.05   0.000% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.04 +/- 1.76   0.001% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.89 +/- 1.74   0.001% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.39 +/- 1.45   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.75 +/- 1.51   0.002% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.91 +/- 2.34   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  18.94 +/- 1.39   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.92 +/- 1.54   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.44 +/- 1.84   0.000% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.88 +/- 3.30   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 = 187.4:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.73 +/- 0.64  99.145% * 99.6238% (1.00  10.0 10.00   4.54 187.42) = 100.000%  kept
          HB2   PHE   72 - HG2   LYS+  74   8.02 +/- 1.35   0.595% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG2   LYS+  74   9.78 +/- 1.35   0.151% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+  74  11.14 +/- 1.65   0.072% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  16.35 +/- 1.71   0.004% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  13.41 +/- 2.17   0.030% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  19.32 +/- 1.22   0.002% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  23.31 +/- 2.46   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  21.74 +/- 2.16   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  27.56 +/- 1.85   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 = 187.4:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.57 +/- 0.11  99.901% * 99.8966% (0.80  10.0 10.00   5.57 187.42) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  12.57 +/- 0.79   0.057% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  13.46 +/- 1.11   0.041% *  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 = 187.4:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.66 +/- 0.09  99.874% * 98.5261% (0.80  10.0 10.00   5.27 187.42) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   8.87 +/- 0.62   0.082% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  15.63 +/- 1.56   0.003% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  11.49 +/- 1.82   0.027% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  16.01 +/- 0.85   0.002% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  16.54 +/- 1.03   0.002% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  14.82 +/- 1.64   0.005% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  18.51 +/- 1.23   0.001% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.18 +/- 1.20   0.003% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.72 +/- 2.01   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 = 187.4:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.982% * 99.1206% (1.00  10.0 10.00   4.54 187.42) = 100.000%  kept
          HG13  ILE   19 - HG3   LYS+  74   9.49 +/- 0.77   0.005% *  0.0915% (0.92   1.0  1.00   0.02   8.39) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74   9.19 +/- 1.87   0.011% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  12.03 +/- 1.15   0.001% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.47 +/- 1.46   0.001% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  14.14 +/- 0.92   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  20.34 +/- 1.69   0.000% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  15.70 +/- 1.74   0.000% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  21.22 +/- 1.37   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  23.86 +/- 1.01   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 = 187.4:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.91 +/- 0.13  99.394% * 99.2156% (1.00  10.0 10.00   4.97 187.42) =  99.999%  kept
          QB    ALA   57 - HG3   LYS+  74   8.16 +/- 1.60   0.541% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+  74  11.70 +/- 1.87   0.042% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  13.58 +/- 1.58   0.012% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  14.72 +/- 1.49   0.007% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  22.37 +/- 0.88   0.001% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.78 +/- 1.62   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  22.36 +/- 1.37   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.33 +/- 2.17   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 = 187.4:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.96 +/- 0.45  99.407% * 99.7560% (1.00  10.0 10.00   4.00 187.42) = 100.000%  kept
          HB2   PHE   72 - HG3   LYS+  74   8.23 +/- 0.91   0.419% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+  74   9.89 +/- 1.50   0.123% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  11.29 +/- 1.35   0.049% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  19.56 +/- 0.88   0.002% *  0.0762% (0.76   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 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.4:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.74 +/- 0.61  99.954% * 99.6012% (0.80 10.00   5.91 187.42) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  11.07 +/- 1.14   0.029% *  0.0754% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  12.66 +/- 1.15   0.015% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  19.97 +/- 0.61   0.001% *  0.2184% (0.18 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  22.19 +/- 0.68   0.001% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  28.06 +/- 0.61   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 = 187.4:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.45 +/- 0.42  99.792% * 98.0482% (0.80  10.0 10.00   6.31 187.42) = 100.000%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  11.24 +/- 1.56   0.016% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+  74   9.26 +/- 0.47   0.056% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   9.13 +/- 0.80   0.067% *  0.0241% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  14.26 +/- 1.77   0.007% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD2   LYS+  74  19.06 +/- 2.06   0.001% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+  74  15.24 +/- 1.46   0.003% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38  10.16 +/- 0.64   0.033% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  13.75 +/- 1.27   0.007% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+  74  13.94 +/- 1.68   0.005% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  17.32 +/- 1.00   0.001% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.02 +/- 2.46   0.001% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.91 +/- 0.82   0.000% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  14.58 +/- 1.06   0.004% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.89 +/- 0.85   0.000% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.79 +/- 0.57   0.002% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  14.99 +/- 1.25   0.004% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  17.44 +/- 1.69   0.001% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  24.22 +/- 2.04   0.000% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  23.71 +/- 2.00   0.000% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.23 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.851, support = 5.52, residual support = 192.6:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.76 +/- 0.22  27.979% * 90.7641% (1.00  10.0 10.00   5.54 187.42) =  83.932%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.32 +/- 0.15  71.600% *  6.7893% (0.07  10.0 10.00   5.42 219.50) =  16.067%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.81 +/- 0.95   0.166% *  0.1986% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HD2   LYS+  74   9.67 +/- 1.32   0.021% *  0.0838% (0.92   1.0  1.00   0.02   8.39) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   8.39 +/- 1.85   0.090% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  38   6.84 +/- 0.36   0.122% *  0.0121% (0.13   1.0  1.00   0.02  28.45) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.71 +/- 1.34   0.004% *  0.0906% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  11.58 +/- 1.21   0.006% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.82 +/- 1.34   0.000% *  0.9056% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.01 +/- 1.01   0.007% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.43 +/- 1.13   0.002% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  19.04 +/- 1.76   0.000% *  0.3406% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  14.77 +/- 1.71   0.001% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.85 +/- 1.34   0.000% *  0.3096% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.65 +/- 1.05   0.000% *  0.1990% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.60 +/- 0.96   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.44 +/- 1.84   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  24.13 +/- 1.36   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.12 +/- 1.15   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  26.42 +/- 2.38   0.000% *  0.0089% (0.10   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 = 187.4:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.91 +/- 0.13  96.694% * 99.2094% (1.00  10.0 10.00   4.97 187.42) =  99.999%  kept
          HB    VAL   75 - HD2   LYS+  74   6.09 +/- 1.23   2.753% *  0.0306% (0.31   1.0  1.00   0.02  31.88) =   0.001%
          QD1   LEU   67 - HD2   LYS+  74  10.83 +/- 1.50   0.070% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    LYS+  38   8.09 +/- 0.61   0.242% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HD2   LYS+  74  10.64 +/- 1.07   0.050% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38   9.59 +/- 0.77   0.093% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  13.18 +/- 0.94   0.013% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  15.23 +/- 0.60   0.005% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  13.22 +/- 1.06   0.013% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  14.37 +/- 1.09   0.009% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.47 +/- 1.46   0.021% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  12.56 +/- 0.71   0.017% *  0.0213% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  12.74 +/- 0.94   0.016% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  22.37 +/- 0.88   0.001% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  16.89 +/- 1.83   0.003% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  20.66 +/- 0.60   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 = 187.4:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.23 +/- 0.04  99.785% * 99.4851% (1.00  10.0 10.00   4.97 187.42) = 100.000%  kept
          HB2   PHE   72 - HD2   LYS+  74   7.50 +/- 1.45   0.178% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HD2   LYS+  74   9.86 +/- 1.09   0.018% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  12.06 +/- 1.56   0.006% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  10.71 +/- 1.17   0.011% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  19.18 +/- 0.92   0.000% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  18.71 +/- 1.30   0.000% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  16.07 +/- 0.80   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  26.53 +/- 0.94   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  29.59 +/- 0.70   0.000% *  0.0082% (0.08   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 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.4:
    *   T HA    LYS+  74 - QE    LYS+  74   2.74 +/- 0.50  99.874% * 99.8966% (0.80 10.00   4.93 187.42) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74   9.37 +/- 1.01   0.083% *  0.0757% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74  10.79 +/- 0.88   0.044% *  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 = 187.4:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.80 +/- 0.66  99.506% * 99.4757% (0.80 10.00   4.62 187.42) = 100.000%  kept
          QG2   THR   26 - QE    LYS+  74   8.72 +/- 0.56   0.186% *  0.0654% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74   9.88 +/- 1.12   0.118% *  0.0557% (0.45  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  12.05 +/- 1.68   0.044% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  13.51 +/- 1.47   0.022% *  0.1114% (0.90  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  12.33 +/- 1.91   0.038% *  0.0310% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  11.63 +/- 1.36   0.047% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  14.98 +/- 0.81   0.009% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  12.89 +/- 1.33   0.026% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  16.53 +/- 1.65   0.006% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.14 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.4:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.73 +/- 0.64  98.206% * 99.1206% (1.00  10.0 10.00   4.54 187.42) =  99.999%  kept
          QG2   ILE   56 - QE    LYS+  74   6.93 +/- 1.77   1.450% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  74   9.08 +/- 1.10   0.176% *  0.0915% (0.92   1.0  1.00   0.02   8.39) =   0.000%
          QB    ALA   91 - QE    LYS+  74  10.03 +/- 0.98   0.090% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  74  11.60 +/- 1.09   0.030% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  12.07 +/- 1.13   0.025% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  16.35 +/- 1.71   0.004% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  13.03 +/- 1.22   0.016% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  17.58 +/- 1.48   0.002% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  20.50 +/- 1.37   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.4:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.96 +/- 0.45  92.696% * 99.5285% (1.00  10.0 10.00   4.00 187.42) =  99.997%  kept
          HB    VAL   75 - QE    LYS+  74   5.54 +/- 0.92   6.920% *  0.0307% (0.31   1.0  1.00   0.02  31.88) =   0.002%
          QD1   LEU   67 - QE    LYS+  74   9.56 +/- 1.62   0.137% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QE    LYS+  74   9.77 +/- 0.86   0.115% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  11.61 +/- 1.04   0.049% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  13.34 +/- 0.99   0.018% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  11.34 +/- 0.98   0.041% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  12.65 +/- 0.92   0.024% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.4:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.23 +/- 0.04  99.558% * 99.2156% (1.00  10.0 10.00   4.97 187.42) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  74   6.57 +/- 1.32   0.417% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QE    LYS+  74  10.19 +/- 1.14   0.015% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  11.83 +/- 1.19   0.006% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  13.40 +/- 1.37   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  19.18 +/- 0.92   0.000% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  15.72 +/- 1.20   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  18.12 +/- 1.49   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.32 +/- 1.60   0.000% *  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 = 84.4:
    * O T HB    VAL   75 - HA    VAL   75   2.88 +/- 0.25  98.314% * 99.3939% (1.00  10.0 10.00   3.44  84.43) =  99.999%  kept
          HG3   LYS+  74 - HA    VAL   75   5.95 +/- 0.59   1.657% *  0.0307% (0.31   1.0  1.00   0.02  31.88) =   0.001%
        T QD1   ILE  119 - HA    VAL   75  14.92 +/- 1.22   0.006% *  0.4086% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  13.87 +/- 1.35   0.010% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    VAL   75  14.34 +/- 0.71   0.007% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  15.23 +/- 0.81   0.005% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  18.91 +/- 0.64   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 = 84.4:
    * O T QG1   VAL   75 - HA    VAL   75   2.67 +/- 0.20  99.995% * 99.9055% (1.00  10.0 10.00   4.00  84.43) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  15.01 +/- 1.86   0.005% *  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 = 84.4:
    * O T QG2   VAL   75 - HA    VAL   75   2.30 +/- 0.32  99.984% * 99.9036% (1.00  10.0 10.00   4.00  84.43) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  10.44 +/- 1.03   0.016% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T HA    VAL   75 - HB    VAL   75   2.88 +/- 0.25  99.968% * 99.7003% (1.00  10.0 10.00   3.44  84.43) = 100.000%  kept
          HD3   PRO   58 - HB    VAL   75  15.16 +/- 1.28   0.006% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  119 - HB    VAL   75  17.06 +/- 1.17   0.003% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  12.80 +/- 1.12   0.017% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  15.28 +/- 0.95   0.006% *  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 = 84.4:
    * O T QG1   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.997% * 99.9055% (1.00  10.0 10.00   3.44  84.43) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  13.54 +/- 1.83   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 = 84.4:
    * O T QG2   VAL   75 - HB    VAL   75   2.12 +/- 0.02  99.974% * 99.0442% (1.00  10.0 10.00   3.31  84.43) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75   9.08 +/- 1.18   0.026% *  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 = 84.4:
    * O T HA    VAL   75 - QG1   VAL   75   2.67 +/- 0.20  99.960% * 99.6578% (1.00  10.0 10.00   4.00  84.43) = 100.000%  kept
        T HA    ALA   61 - QG1   VAL   75  12.27 +/- 0.84   0.013% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   75  13.65 +/- 1.09   0.007% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  11.91 +/- 0.83   0.016% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  15.71 +/- 1.14   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 = 84.4:
    * O T HB    VAL   75 - QG1   VAL   75   2.13 +/- 0.01  99.882% * 99.7607% (1.00  10.0 10.00   3.44  84.43) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.85 +/- 0.54   0.103% *  0.0308% (0.31   1.0  1.00   0.02  31.88) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  11.93 +/- 0.71   0.004% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  11.57 +/- 1.00   0.004% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  12.43 +/- 0.99   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  12.48 +/- 1.16   0.003% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  15.18 +/- 0.85   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 = 84.4:
    * O T QG2   VAL   75 - QG1   VAL   75   2.07 +/- 0.04  99.981% * 99.9036% (1.00  10.0 10.00   4.00  84.43) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   8.98 +/- 0.85   0.019% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HA    VAL   75 - QG2   VAL   75   2.30 +/- 0.32  99.978% * 99.8572% (1.00  10.0 10.00   4.00  84.43) = 100.000%  kept
          HD3   PRO   58 - QG2   VAL   75  13.84 +/- 1.19   0.004% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG2   VAL   75  11.25 +/- 0.84   0.011% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  13.83 +/- 0.73   0.004% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  14.86 +/- 1.29   0.003% *  0.0175% (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 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.4:
    * O T HB    VAL   75 - QG2   VAL   75   2.12 +/- 0.02  99.807% * 99.7607% (1.00  10.0 10.00   3.31  84.43) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.25 +/- 0.39   0.168% *  0.0308% (0.31   1.0  1.00   0.02  31.88) =   0.000%
          QD2   LEU   40 - QG2   VAL   75  10.56 +/- 0.82   0.008% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  11.06 +/- 1.05   0.006% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75  11.02 +/- 0.80   0.006% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  11.94 +/- 1.37   0.004% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  13.96 +/- 0.84   0.001% *  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 = 84.4:
    * O T QG1   VAL   75 - QG2   VAL   75   2.07 +/- 0.04  99.996% * 99.9055% (1.00  10.0 10.00   4.00  84.43) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  12.25 +/- 1.86   0.004% *  0.0945% (0.95   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 903 (0.13, 0.13, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   VAL   75 - QG2   VAL   75  (1.00)  kept
 
    Peak 904 (5.02, 5.02, 52.40 ppm):
    2 diagonal assignments:
    *     HA    ASP-  76 - HA    ASP-  76  (1.00)  kept
          HA    LEU   67 - HA    LEU   67  (0.04)  kept
 
    Peak 905 (2.90, 5.02, 52.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.86, residual support = 36.1:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.90 +/- 0.14  93.970% * 99.1090% (1.00  10.0 10.00   2.86  36.10) =  99.997%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.28 +/- 0.49   3.018% *  0.0720% (0.73   1.0  1.00   0.02   3.07) =   0.002%
        T QE    LYS+  66 - HA    LEU   67   7.02 +/- 1.06   2.386% *  0.0362% (0.04   1.0 10.00   0.02  10.11) =   0.001%
          HB2   ASN   69 - HA    LEU   67   7.07 +/- 0.75   0.605% *  0.0159% (0.16   1.0  1.00   0.02   2.97) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  14.43 +/- 2.75   0.012% *  0.0362% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  18.08 +/- 1.49   0.002% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  20.60 +/- 0.76   0.001% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  21.89 +/- 1.70   0.001% *  0.1626% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  15.55 +/- 0.68   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  24.16 +/- 0.36   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  25.72 +/- 1.46   0.000% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  22.16 +/- 1.26   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 = 3.0, residual support = 36.1:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.76 +/- 0.22  99.886% * 99.2676% (0.87  10.0 10.00   3.00  36.10) = 100.000%  kept
          HG3   MET   92 - HA    ASP-  76  12.81 +/- 1.76   0.015% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  11.06 +/- 1.08   0.036% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  13.40 +/- 1.16   0.009% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  16.05 +/- 0.73   0.003% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  13.97 +/- 1.72   0.011% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  11.34 +/- 1.16   0.027% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  20.33 +/- 0.76   0.001% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  22.30 +/- 1.54   0.000% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  15.46 +/- 1.24   0.004% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  18.52 +/- 0.95   0.001% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  14.89 +/- 0.78   0.005% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  25.25 +/- 0.99   0.000% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  20.93 +/- 1.63   0.001% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  24.44 +/- 1.10   0.000% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  26.10 +/- 1.40   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 0.02 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.86, residual support = 36.1:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.90 +/- 0.14  97.540% * 99.3094% (1.00  10.0 10.00   2.86  36.10) =  99.999%  kept
        T HA    LEU   67 - QE    LYS+  66   7.02 +/- 1.06   2.443% *  0.0515% (0.05   1.0 10.00   0.02  10.11) =   0.001%
        T HA    LEU   67 - QE    LYS+  33  14.43 +/- 2.75   0.013% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  33  18.08 +/- 1.49   0.002% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  20.60 +/- 0.76   0.001% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  21.89 +/- 1.70   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 = 36.1:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.883% * 98.9845% (0.87  10.0 10.00   2.86  36.10) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   7.40 +/- 1.79   0.085% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   8.24 +/- 1.74   0.026% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  14.77 +/- 1.24   0.000% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  15.26 +/- 1.87   0.000% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  11.42 +/- 1.78   0.002% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  12.28 +/- 1.19   0.001% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  13.38 +/- 1.92   0.001% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  18.13 +/- 1.70   0.000% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  14.91 +/- 1.04   0.000% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  22.32 +/- 1.00   0.000% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  22.41 +/- 0.75   0.000% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  14.84 +/- 1.07   0.000% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  20.81 +/- 1.08   0.000% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  19.41 +/- 1.79   0.000% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.64 +/- 1.04   0.000% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  25.76 +/- 1.20   0.000% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  20.00 +/- 1.63   0.000% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  21.41 +/- 1.54   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  20.92 +/- 2.12   0.000% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  24.36 +/- 0.98   0.000% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  26.07 +/- 1.37   0.000% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  24.30 +/- 1.21   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  23.48 +/- 1.91   0.000% *  0.0023% (0.02   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 = 3.0, residual support = 36.1:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.76 +/- 0.22 100.000% * 99.7513% (0.87  10.0 10.00   3.00  36.10) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  22.30 +/- 1.54   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 = 36.1:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  99.218% * 99.3726% (0.87  10.0 10.00   2.86  36.10) =  99.999%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.43 +/- 0.92   0.782% *  0.0722% (0.63   1.0  1.00   0.02   3.07) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  18.13 +/- 1.70   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  22.32 +/- 1.00   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  15.21 +/- 0.95   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  25.43 +/- 0.63   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   2.54 +/- 0.07  99.474% * 99.3000% (1.00  10.0 10.00   3.00  37.76) = 100.000%  kept
          HA    GLU-  79 - HA    THR   77   6.35 +/- 0.16   0.413% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HA    THR   77   9.00 +/- 1.27   0.060% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    THR   77  10.06 +/- 0.73   0.029% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  11.12 +/- 1.17   0.016% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  14.58 +/- 1.55   0.004% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  14.37 +/- 1.37   0.004% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  19.58 +/- 1.63   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  23.96 +/- 0.52   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  25.27 +/- 1.39   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  33.37 +/- 3.28   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  30.69 +/- 2.74   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   2.40 +/- 0.10  99.923% * 99.7982% (1.00  10.0 10.00   3.00  37.76) = 100.000%  kept
          QB    ALA   88 - HA    THR   77   9.58 +/- 0.95   0.030% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77   9.13 +/- 1.22   0.046% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  20.44 +/- 2.12   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  24.75 +/- 1.08   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  27.23 +/- 0.49   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 0.00 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T HA    THR   77 - HB    THR   77   2.54 +/- 0.07  99.954% * 99.9104% (1.00  10.0 10.00   3.00  37.76) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77  10.09 +/- 1.80   0.039% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  12.68 +/- 0.66   0.007% *  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 = 2.81, residual support = 37.8:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.01  99.963% * 99.5496% (1.00  10.0 10.00   2.81  37.76) = 100.000%  kept
          QB    ALA   88 - HB    THR   77   8.56 +/- 0.92   0.030% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   77  11.10 +/- 1.20   0.007% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  19.09 +/- 2.12   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  25.98 +/- 1.17   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  28.98 +/- 0.60   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   2.40 +/- 0.10  99.745% * 99.9104% (1.00  10.0 10.00   3.00  37.76) = 100.000%  kept
          HD2   PRO   93 - QG2   THR   77   7.25 +/- 1.41   0.229% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - QG2   THR   77   9.72 +/- 0.65   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 0.00 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 37.8:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.01  99.757% * 99.3000% (1.00  10.0 10.00   2.81  37.76) = 100.000%  kept
          HA    ASP-  44 - QG2   THR   77   6.90 +/- 0.48   0.102% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   77   8.12 +/- 1.17   0.045% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   77   7.45 +/- 0.16   0.059% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77  10.30 +/- 1.32   0.012% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  10.03 +/- 1.23   0.012% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  10.00 +/- 1.05   0.012% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  15.39 +/- 1.29   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.52 +/- 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 +/- 1.15   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  28.23 +/- 2.46   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  25.87 +/- 2.15   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 = 2.93, residual support = 37.4:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.77 +/- 0.26  98.720% * 99.6931% (1.00  10.0 10.00   2.93  37.35) =  99.999%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.23 +/- 0.70   1.259% *  0.0724% (0.73   1.0  1.00   0.02   3.07) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  12.07 +/- 0.71   0.019% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  18.02 +/- 0.89   0.002% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.23 +/- 1.56   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  21.53 +/- 1.28   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  30.04 +/- 0.35   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 = 37.4:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.72 +/- 0.24  99.884% * 99.8720% (1.00  10.0 10.00   2.31  37.35) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78   9.29 +/- 1.06   0.090% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.34 +/- 1.25   0.025% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  26.96 +/- 1.52   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  25.49 +/- 1.80   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 = 2.93, residual support = 37.4:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.77 +/- 0.26  99.679% * 99.8154% (1.00  10.0 10.00   2.93  37.35) = 100.000%  kept
          HA    LEU   80 - HB2   ASP-  78   8.04 +/- 0.64   0.249% *  0.0486% (0.49   1.0  1.00   0.02   3.69) =   0.000%
          HA    THR   23 - HB2   ASP-  78  10.71 +/- 1.27   0.055% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP-  78  12.91 +/- 1.43   0.017% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  25.31 +/- 1.13   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 = 2.4, residual support = 37.4:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.980% * 99.8720% (1.00  10.0 10.00   2.40  37.35) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   8.36 +/- 1.42   0.016% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78  10.23 +/- 1.20   0.004% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  26.36 +/- 1.58   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  25.43 +/- 1.63   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 = 37.4:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.72 +/- 0.24  99.742% * 99.8154% (1.00  10.0 10.00   2.31  37.35) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   7.90 +/- 0.41   0.202% *  0.0486% (0.49   1.0  1.00   0.02   3.69) =   0.000%
          HA    THR   23 - HB3   ASP-  78  10.60 +/- 1.25   0.042% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  12.72 +/- 1.39   0.013% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  25.91 +/- 1.25   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.39, residual support = 37.4:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.758% * 99.6931% (1.00  10.0 10.00   2.40  37.35) = 100.000%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.37 +/- 0.93   0.241% *  0.0724% (0.73   1.0  1.00   0.02   3.07) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  14.10 +/- 1.09   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  18.56 +/- 0.93   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  21.90 +/- 1.98   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  20.41 +/- 1.65   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.69 +/- 0.82   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (2.78, 2.78, 41.22 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  78 - HB3   ASP-  78  (1.00)  kept
 
    Peak 931 (4.27, 4.27, 58.55 ppm):
    1 diagonal assignment:
    *     HA    GLU-  79 - HA    GLU-  79  (1.00)  kept
 
    Peak 932 (2.31, 4.27, 58.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 53.6:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.82 +/- 0.21  99.982% * 98.4729% (1.00  10.0 10.00   4.14  53.61) = 100.000%  kept
          HG3   GLU-  25 - HA    GLU-  79  13.60 +/- 1.52   0.011% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  79  16.23 +/- 2.40   0.004% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  17.39 +/- 1.89   0.002% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  26.54 +/- 1.27   0.000% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  22.47 +/- 1.73   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  28.67 +/- 3.17   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 = 3.49, residual support = 53.6:
    * O T QG    GLU-  79 - HA    GLU-  79   2.60 +/- 0.23  99.999% * 99.7507% (1.00  10.0 10.00   3.49  53.61) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  20.00 +/- 1.30   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  21.73 +/- 1.21   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  23.73 +/- 1.16   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  29.18 +/- 1.20   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  28.64 +/- 1.58   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 = 4.14, residual support = 53.6:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.82 +/- 0.21  99.664% * 99.4064% (1.00  10.0 10.00   4.14  53.61) = 100.000%  kept
          HB    THR   77 - HB2   GLU-  79   7.66 +/- 0.42   0.301% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  12.83 +/- 1.00   0.014% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  79  13.04 +/- 0.67   0.013% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  17.44 +/- 2.04   0.003% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  16.21 +/- 1.72   0.003% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  22.37 +/- 1.51   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  24.22 +/- 1.04   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  30.19 +/- 3.79   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 = 3.3, residual support = 53.6:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.29 +/- 0.10  99.999% * 99.7507% (1.00  10.0 10.00   3.30  53.61) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  18.50 +/- 1.28   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  19.93 +/- 1.22   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  21.68 +/- 1.16   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  27.12 +/- 1.11   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  26.94 +/- 1.42   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 = 3.49, residual support = 53.6:
    * O T HA    GLU-  79 - QG    GLU-  79   2.60 +/- 0.23  99.859% * 99.4064% (1.00  10.0 10.00   3.49  53.61) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.43 +/- 0.55   0.114% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  12.75 +/- 1.18   0.010% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  12.65 +/- 0.33   0.008% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  16.88 +/- 2.34   0.004% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  15.68 +/- 1.73   0.003% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  20.96 +/- 1.46   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  21.99 +/- 1.05   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  26.31 +/- 3.63   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 = 3.3, residual support = 53.6:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.29 +/- 0.10  99.980% * 99.5443% (1.00  10.0 10.00   3.30  53.61) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79  10.73 +/- 1.62   0.017% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  15.74 +/- 2.22   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  16.60 +/- 1.81   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  20.19 +/- 1.67   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  21.71 +/- 1.43   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  23.55 +/- 3.13   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 = 5.59, residual support = 81.6:
    *   T QD1   LEU   80 - HA    LEU   80   2.53 +/- 0.62  99.939% * 98.6414% (0.65 10.00   5.59  81.59) = 100.000%  kept
        T QD2   LEU   98 - HA    LEU   80  14.80 +/- 2.30   0.008% *  0.9864% (0.65 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU   80  11.28 +/- 1.77   0.041% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  14.32 +/- 2.07   0.009% *  0.1274% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  19.57 +/- 1.74   0.001% *  0.1408% (0.92  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  17.81 +/- 1.76   0.002% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 5.0, residual support = 81.3:
    * O   HA    LEU   80 - HB2   LEU   80   2.82 +/- 0.25  89.512% * 96.7048% (1.00  10.0   5.02  81.59) =  99.661%  kept
          HA    THR   23 - HB2   LEU   80   5.70 +/- 2.50   9.535% *  3.0809% (0.80   1.0   0.80   4.10) =   0.338%
          HB    THR   23 - HB2   LEU   80   7.83 +/- 2.51   0.499% *  0.0933% (0.97   1.0   0.02   4.10) =   0.001%
          HA    ASP-  78 - HB2   LEU   80   7.20 +/- 0.60   0.453% *  0.0471% (0.49   1.0   0.02   3.69) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  22.00 +/- 2.41   0.001% *  0.0739% (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 = 5.31, residual support = 81.6:
    * O T QD1   LEU   80 - HB2   LEU   80   2.71 +/- 0.37  99.873% * 97.5236% (0.65  10.0 10.00   5.31  81.59) = 100.000%  kept
        T QG2   VAL   41 - HB2   LEU   80  12.64 +/- 2.32   0.017% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  13.14 +/- 2.40   0.014% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU   80   9.64 +/- 2.09   0.089% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  17.61 +/- 2.28   0.002% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  15.86 +/- 2.28   0.005% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.08 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.643, support = 5.47, residual support = 79.5:
    *   T HA    LEU   80 - QD1   LEU   80   2.53 +/- 0.62  64.234% * 90.9167% (0.65 10.00   5.59  81.59) =  97.322%  kept
          HA    THR   23 - QD1   LEU   80   3.75 +/- 2.67  31.105% *  4.9206% (0.52  1.00   1.35   4.10) =   2.551%  kept
          HB    THR   23 - QD1   LEU   80   5.54 +/- 2.71   2.228% *  3.3706% (0.62  1.00   0.77   4.10) =   0.125%
          HA    ASP-  78 - QD1   LEU   80   6.51 +/- 0.98   2.304% *  0.0443% (0.31  1.00   0.02   3.69) =   0.002%
          HA    ASP- 105 - QD2   LEU   98   8.43 +/- 0.71   0.111% *  0.0398% (0.28  1.00   0.02   5.13) =   0.000%
        T HA    LEU   80 - QD2   LEU   98  14.80 +/- 2.30   0.004% *  0.5211% (0.37 10.00   0.02   0.02) =   0.000%
          HA    THR   23 - QD2   LEU   98  13.74 +/- 1.63   0.006% *  0.0417% (0.30  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  14.32 +/- 1.41   0.004% *  0.0503% (0.36  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  19.21 +/- 2.39   0.001% *  0.0695% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  17.28 +/- 1.60   0.002% *  0.0254% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (0.56, 0.56, 25.66 ppm):
    2 diagonal assignments:
    *     QD1   LEU   80 - QD1   LEU   80  (0.42)  kept
          QD2   LEU   98 - QD2   LEU   98  (0.24)  kept
 
    Peak 949 (4.10, 4.10, 60.05 ppm):
    1 diagonal assignment:
    *     HA    LYS+  81 - HA    LYS+  81  (1.00)  kept
 
    Peak 950 (1.87, 4.10, 60.05 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 106.8:
    * O T QB    LYS+  81 - HA    LYS+  81   2.41 +/- 0.07  99.851% * 97.5498% (1.00  10.0 10.00   4.97 106.82) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   8.54 +/- 2.09   0.131% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  16.90 +/- 2.78   0.002% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  12.70 +/- 2.74   0.010% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  16.73 +/- 1.83   0.001% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  17.12 +/- 2.09   0.001% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  18.68 +/- 1.67   0.001% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  17.15 +/- 2.32   0.001% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  20.72 +/- 1.92   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  30.20 +/- 1.57   0.000% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  22.39 +/- 2.63   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  23.90 +/- 1.73   0.000% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  23.74 +/- 1.94   0.000% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  30.06 +/- 1.76   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  30.91 +/- 1.70   0.000% *  0.0151% (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 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 106.8:
    * O T QG    LYS+  81 - HA    LYS+  81   2.39 +/- 0.14  99.996% * 98.1658% (1.00  10.0 10.00   5.10 106.82) = 100.000%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  19.91 +/- 2.85   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  22.87 +/- 1.86   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  81  14.09 +/- 1.36   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  22.83 +/- 2.14   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 = 106.8:
    *   T QD    LYS+  81 - HA    LYS+  81   3.33 +/- 0.82  99.972% * 99.7569% (1.00 10.00   3.44 106.82) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  14.73 +/- 1.44   0.026% *  0.0989% (0.99  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  26.25 +/- 1.59   0.001% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  23.89 +/- 0.85   0.001% *  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 = 106.8:
    *   T QE    LYS+  81 - HA    LYS+  81   3.56 +/- 0.63  97.580% * 99.9825% (1.00 10.00   3.44 106.82) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  12.59 +/- 2.48   2.420% *  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 = 106.8:
    * O T HA    LYS+  81 - QB    LYS+  81   2.41 +/- 0.07  99.881% * 98.7606% (1.00  10.0 10.00   4.97 106.82) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.73 +/- 0.35   0.096% *  0.0733% (0.07   1.0 10.00   0.02   1.75) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  16.77 +/- 2.42   0.002% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.06 +/- 2.11   0.017% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  16.73 +/- 1.83   0.001% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  15.34 +/- 2.12   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  22.01 +/- 1.26   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  26.82 +/- 1.96   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  22.75 +/- 1.45   0.000% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  32.99 +/- 1.43   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  27.66 +/- 0.87   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  27.50 +/- 1.72   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  24.86 +/- 1.61   0.000% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  34.31 +/- 1.37   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 = 5.13, residual support = 106.8:
    * O T QG    LYS+  81 - QB    LYS+  81   2.08 +/- 0.03  99.983% * 97.8497% (1.00  10.0 10.00   5.13 106.82) = 100.000%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  19.90 +/- 2.54   0.000% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  15.45 +/- 1.88   0.001% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  21.65 +/- 1.55   0.000% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  17.50 +/- 2.14   0.000% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  10.20 +/- 2.22   0.013% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.30 +/- 1.35   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  13.70 +/- 1.25   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  28.72 +/- 1.83   0.000% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  22.37 +/- 1.86   0.000% *  0.0194% (0.20   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 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 106.8:
    * O T QD    LYS+  81 - QB    LYS+  81   2.33 +/- 0.09  99.995% * 99.6151% (1.00  10.0 10.00   3.74 106.82) = 100.000%  kept
        T QD    LYS+  81 - HB3   PRO   52  15.20 +/- 2.03   0.002% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QB    LYS+  81  15.23 +/- 1.20   0.001% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  17.03 +/- 1.47   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  25.39 +/- 1.38   0.000% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  22.68 +/- 0.73   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.62 +/- 1.64   0.000% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  23.99 +/- 1.82   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 = 106.8:
    *     QE    LYS+  81 - QB    LYS+  81   2.37 +/- 0.52  99.831% * 99.8347% (1.00   3.74 106.82) = 100.000%  kept
          HB3   TRP   49 - QB    LYS+  81  11.97 +/- 2.53   0.100% *  0.0934% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  15.25 +/- 2.23   0.012% *  0.0612% (0.11   0.02   0.02) =   0.000%
          HB3   TRP   49 - HB3   PRO   52  10.05 +/- 1.19   0.056% *  0.0107% (0.02   0.02   1.33) =   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 = 5.1, residual support = 106.8:
    * O T HA    LYS+  81 - QG    LYS+  81   2.39 +/- 0.14  99.858% * 98.8267% (1.00  10.0 10.00   5.10 106.82) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.03 +/- 0.49   0.081% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   9.09 +/- 0.57   0.036% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  15.14 +/- 2.25   0.003% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  19.91 +/- 2.85   0.000% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  22.87 +/- 1.86   0.000% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  10.73 +/- 1.39   0.015% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  15.28 +/- 1.58   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  19.22 +/- 1.48   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  23.92 +/- 3.69   0.000% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  26.57 +/- 1.46   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  19.86 +/- 1.19   0.000% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  16.42 +/- 1.56   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  21.02 +/- 1.16   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  22.33 +/- 0.91   0.000% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  19.43 +/- 2.20   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  26.18 +/- 1.91   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  32.01 +/- 1.39   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  20.17 +/- 1.54   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  26.27 +/- 0.85   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  23.92 +/- 2.45   0.000% *  0.0073% (0.07   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 = 0.818, support = 5.26, residual support = 118.0:
    * O T QB    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  44.617% * 57.8388% (1.00  10.0 10.00   5.13 106.82) =  70.702%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.28 +/- 0.10  26.427% * 26.7248% (0.46  10.0 10.00   5.67 149.95) =  19.350%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.25 +/- 0.11  28.594% * 12.6979% (0.22  10.0 10.00   5.33 135.68) =   9.948%  kept
          HB3   GLN   90 - QG    LYS+  81   8.61 +/- 2.45   0.030% *  0.0573% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+ 106   5.87 +/- 0.82   0.137% *  0.0106% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.97 +/- 0.72   0.126% *  0.0104% (0.18   1.0  1.00   0.02   0.16) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.53 +/- 0.49   0.059% *  0.0114% (0.20   1.0  1.00   0.02  20.34) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  16.88 +/- 1.75   0.000% *  0.5771% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  14.82 +/- 2.55   0.001% *  0.0502% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  19.12 +/- 1.34   0.000% *  0.5582% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  17.84 +/- 1.56   0.000% *  0.2763% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.31 +/- 1.31   0.002% *  0.0157% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  15.45 +/- 1.88   0.000% *  0.0892% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.62 +/- 2.55   0.002% *  0.0144% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.18 +/- 0.97   0.000% *  0.1228% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  21.65 +/- 1.55   0.000% *  0.2769% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  19.90 +/- 2.54   0.000% *  0.1273% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  17.29 +/- 1.85   0.000% *  0.0420% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  16.03 +/- 1.63   0.000% *  0.0217% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.95 +/- 2.26   0.000% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.92 +/- 1.18   0.000% *  0.0092% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  17.50 +/- 2.14   0.000% *  0.0196% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.18 +/- 0.92   0.001% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.29 +/- 1.29   0.000% *  0.0231% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.57 +/- 1.79   0.000% *  0.0248% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  21.95 +/- 2.04   0.000% *  0.0483% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  22.90 +/- 1.24   0.000% *  0.0519% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  18.69 +/- 1.42   0.000% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.70 +/- 2.44   0.000% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.31 +/- 1.43   0.000% *  0.0048% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  18.93 +/- 0.78   0.000% *  0.0072% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.32 +/- 2.17   0.000% *  0.0078% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.51 +/- 1.15   0.000% *  0.0110% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.65 +/- 1.26   0.000% *  0.0463% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.61 +/- 1.97   0.000% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  17.13 +/- 1.55   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  28.72 +/- 1.83   0.000% *  0.0427% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  28.06 +/- 0.92   0.000% *  0.0327% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.46 +/- 2.26   0.000% *  0.0240% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  28.15 +/- 1.63   0.000% *  0.0274% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  24.32 +/- 3.68   0.000% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.18 +/- 1.23   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  25.85 +/- 1.56   0.000% *  0.0069% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.78 +/- 2.14   0.000% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  28.57 +/- 1.54   0.000% *  0.0089% (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 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 = 3.97, residual support = 106.8:
    * O T QD    LYS+  81 - QG    LYS+  81   2.05 +/- 0.03  99.956% * 98.8994% (1.00  10.0 10.00   3.97 106.82) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   8.63 +/- 1.50   0.035% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.06 +/- 0.58   0.004% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  14.64 +/- 0.89   0.001% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  13.55 +/- 1.29   0.001% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.69 +/- 1.89   0.001% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  20.24 +/- 2.75   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  22.36 +/- 1.05   0.000% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  13.64 +/- 1.17   0.001% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  21.18 +/- 0.82   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  24.97 +/- 0.92   0.000% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.27 +/- 1.53   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 = 3.97, residual support = 106.8:
    * O   QE    LYS+  81 - QG    LYS+  81   2.28 +/- 0.17  99.878% * 99.9005% (1.00  10.0   3.97 106.82) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  10.65 +/- 2.16   0.122% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  22.89 +/- 1.77   0.000% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  20.39 +/- 2.42   0.000% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  23.66 +/- 1.17   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  29.95 +/- 0.98   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 = 106.8:
    *   T HA    LYS+  81 - QD    LYS+  81   3.33 +/- 0.82  99.902% * 99.7133% (1.00 10.00   3.44 106.82) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  15.08 +/- 2.73   0.081% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  16.58 +/- 1.59   0.014% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  27.81 +/- 1.43   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  21.33 +/- 2.11   0.002% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  32.66 +/- 2.03   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  26.95 +/- 1.51   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 = 106.8:
    * O T QB    LYS+  81 - QD    LYS+  81   2.33 +/- 0.09  99.475% * 98.9997% (1.00  10.0 10.00   3.74 106.82) =  99.999%  kept
          HB3   GLN   90 - QD    LYS+  81   8.21 +/- 2.75   0.479% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  14.65 +/- 3.09   0.027% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  12.58 +/- 3.09   0.013% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  15.20 +/- 2.03   0.002% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  17.38 +/- 2.07   0.001% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  17.45 +/- 1.94   0.001% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  17.32 +/- 1.56   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  20.27 +/- 1.28   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  22.69 +/- 2.50   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  23.53 +/- 1.99   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  21.59 +/- 2.64   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  28.50 +/- 1.55   0.000% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  29.16 +/- 1.22   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  29.07 +/- 2.18   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 = 3.97, residual support = 106.8:
    * O T QG    LYS+  81 - QD    LYS+  81   2.05 +/- 0.03  99.997% * 98.1658% (1.00  10.0 10.00   3.97 106.82) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  20.24 +/- 2.75   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  13.35 +/- 1.87   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  22.36 +/- 1.05   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  21.60 +/- 2.41   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 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 = 106.8:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.02  99.783% * 99.9825% (1.00  10.0   3.00 106.82) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  10.07 +/- 2.37   0.217% *  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 = 106.8:
    *   T HA    LYS+  81 - QE    LYS+  81   3.56 +/- 0.63  99.832% * 99.7133% (1.00 10.00   3.44 106.82) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  15.40 +/- 2.88   0.144% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  16.91 +/- 2.24   0.019% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  28.23 +/- 2.10   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  21.53 +/- 1.72   0.003% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  33.04 +/- 1.77   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  27.45 +/- 1.57   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.07 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.8:
    * O T HB2   SER   82 - HA    SER   82   2.74 +/- 0.11  98.957% * 97.1708% (0.95  10.0 10.00   2.96  34.83) =  99.999%  kept
          HA    GLU-  29 - HA    GLU-  25   6.21 +/- 0.38   0.791% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    SER   82   7.97 +/- 0.28   0.171% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HA    GLU-  25  11.80 +/- 3.75   0.033% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  15.74 +/- 1.88   0.004% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  10.95 +/- 0.39   0.025% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  12.94 +/- 0.83   0.010% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  21.01 +/- 1.16   0.001% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  19.07 +/- 3.40   0.001% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  19.79 +/- 0.73   0.001% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  18.58 +/- 1.73   0.001% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  17.10 +/- 0.45   0.002% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  27.09 +/- 1.95   0.000% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  22.20 +/- 3.85   0.001% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  22.81 +/- 1.34   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  19.08 +/- 2.15   0.001% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  24.95 +/- 3.40   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  29.20 +/- 1.75   0.000% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  25.43 +/- 1.57   0.000% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  29.41 +/- 1.82   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 = 34.8:
    * O T HB3   SER   82 - HA    SER   82   2.95 +/- 0.10  99.740% * 98.8194% (1.00  10.0 10.00   2.00  34.83) = 100.000%  kept
        T HB3   SER   82 - HA    GLU-  25  11.33 +/- 3.90   0.070% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   82  10.78 +/- 0.37   0.043% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   8.94 +/- 0.25   0.132% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  18.18 +/- 1.67   0.002% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  19.57 +/- 1.91   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  16.94 +/- 0.72   0.003% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  20.35 +/- 3.09   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  16.91 +/- 0.60   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  19.40 +/- 1.61   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  23.18 +/- 1.44   0.000% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  21.19 +/- 2.07   0.001% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  26.26 +/- 2.66   0.000% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  27.81 +/- 2.97   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  30.07 +/- 2.20   0.000% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  25.77 +/- 1.95   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.85 +/- 1.62   0.000% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  25.93 +/- 1.16   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 = 34.8:
    * O T HA    SER   82 - HB2   SER   82   2.74 +/- 0.11  99.717% * 97.8439% (0.95  10.0 10.00   2.96  34.83) = 100.000%  kept
        T HA    GLU-  25 - HB2   SER   82  11.80 +/- 3.75   0.033% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    SER   48  15.74 +/- 1.88   0.004% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48   9.42 +/- 1.68   0.218% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  21.01 +/- 1.16   0.001% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  12.23 +/- 0.58   0.014% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  19.79 +/- 0.73   0.001% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.40 +/- 0.61   0.008% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  27.09 +/- 1.95   0.000% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  16.93 +/- 0.97   0.002% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  20.07 +/- 1.99   0.001% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  18.96 +/- 1.96   0.001% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  20.42 +/- 1.56   0.001% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  21.23 +/- 1.18   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  28.36 +/- 1.53   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 = 34.8:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  98.786% * 96.7159% (0.95  10.0 10.00   2.33  34.83) = 100.000%  kept
          HB    THR   39 - HA    VAL   70   4.90 +/- 0.95   0.979% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48   9.27 +/- 1.28   0.011% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   8.46 +/- 0.89   0.010% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   6.79 +/- 1.59   0.208% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  14.28 +/- 1.81   0.001% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  16.61 +/- 1.51   0.000% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  13.23 +/- 2.01   0.002% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.66 +/- 0.35   0.001% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  20.85 +/- 1.91   0.000% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.10 +/- 0.91   0.001% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  18.67 +/- 3.50   0.000% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  25.55 +/- 2.76   0.000% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  14.82 +/- 1.07   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  26.81 +/- 0.87   0.000% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  18.94 +/- 1.62   0.000% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  25.14 +/- 3.06   0.000% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  20.96 +/- 2.16   0.000% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  26.42 +/- 3.36   0.000% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  22.44 +/- 0.86   0.000% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  25.87 +/- 2.16   0.000% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  28.54 +/- 2.31   0.000% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  25.98 +/- 0.68   0.000% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  24.34 +/- 1.98   0.000% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  26.43 +/- 2.21   0.000% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.52 +/- 0.62   0.000% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  22.25 +/- 1.13   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 = 34.8:
    * O T HA    SER   82 - HB3   SER   82   2.95 +/- 0.10  99.927% * 99.1601% (1.00  10.0 10.00   2.00  34.83) = 100.000%  kept
        T HA    GLU-  25 - HB3   SER   82  11.33 +/- 3.90   0.070% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HB3   SER   82  20.33 +/- 1.40   0.001% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  19.95 +/- 2.21   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  28.08 +/- 1.48   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 = 34.8:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.996% * 97.6038% (0.95  10.0 10.00   2.33  34.83) = 100.000%  kept
          HA    ALA   88 - HB3   SER   82   9.92 +/- 0.26   0.003% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB3   SER   82  16.61 +/- 1.51   0.000% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  19.89 +/- 1.61   0.000% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  16.56 +/- 4.03   0.000% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  19.85 +/- 4.47   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  25.55 +/- 2.76   0.000% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  21.52 +/- 2.03   0.000% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  22.59 +/- 4.07   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  29.19 +/- 2.23   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 = 87.2:
    * O T HB    VAL   83 - HA    VAL   83   2.86 +/- 0.20  99.986% * 96.5761% (0.90  10.0 10.00   3.97  87.17) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  15.58 +/- 1.49   0.004% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  18.20 +/- 1.48   0.002% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  24.91 +/- 1.72   0.000% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  24.77 +/- 3.51   0.000% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  19.53 +/- 4.13   0.003% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  17.46 +/- 1.26   0.002% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  18.96 +/- 3.43   0.002% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  25.37 +/- 3.34   0.000% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  25.02 +/- 2.87   0.000% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  30.56 +/- 2.67   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  31.31 +/- 2.65   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 = 87.2:
    * O T QG1   VAL   83 - HA    VAL   83   2.34 +/- 0.28  98.825% * 99.5865% (0.87  10.0 10.00   4.24  87.17) =  99.999%  kept
          QD2   LEU   80 - HA    VAL   83   5.59 +/- 0.63   1.010% *  0.0919% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    VAL   83   7.50 +/- 0.73   0.153% *  0.0286% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83  11.94 +/- 2.61   0.009% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  19.95 +/- 2.48   0.001% *  0.0877% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  20.00 +/- 3.36   0.000% *  0.1108% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  17.64 +/- 2.54   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 0.03 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 87.2:
    * O T QG2   VAL   83 - HA    VAL   83   2.67 +/- 0.32  99.517% * 99.8380% (1.00  10.0 10.00   4.43  87.17) = 100.000%  kept
          QD1   ILE   89 - HA    VAL   83   7.16 +/- 0.84   0.417% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HA    VAL   83  11.71 +/- 3.24   0.066% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.2:
    * O T HA    VAL   83 - HB    VAL   83   2.86 +/- 0.20  99.994% * 97.8171% (0.90  10.0 10.00   3.97  87.17) = 100.000%  kept
        T HA    GLU- 100 - HB    VAL   83  21.72 +/- 3.52   0.001% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  21.69 +/- 1.61   0.001% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  15.73 +/- 1.26   0.005% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  23.16 +/- 3.51   0.000% *  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 = 87.2:
    * O T QG1   VAL   83 - HB    VAL   83   2.13 +/- 0.01  91.918% * 99.5865% (0.78  10.0 10.00   4.29  87.17) =  99.992%  kept
          QD2   LEU   80 - HB    VAL   83   3.75 +/- 0.95   7.955% *  0.0919% (0.72   1.0  1.00   0.02   0.02) =   0.008%
          QG2   ILE   89 - HB    VAL   83   6.83 +/- 0.78   0.112% *  0.0286% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83  10.27 +/- 2.40   0.013% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  16.14 +/- 2.55   0.001% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  18.67 +/- 2.51   0.000% *  0.0877% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  19.24 +/- 3.02   0.000% *  0.1108% (0.87   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 = 4.49, residual support = 87.2:
    * O T QG2   VAL   83 - HB    VAL   83   2.12 +/- 0.02  99.867% * 99.8380% (0.90  10.0 10.00   4.49  87.17) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   7.15 +/- 1.05   0.116% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83  10.41 +/- 2.90   0.017% *  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 = 87.2:
    * O T HA    VAL   83 - QG1   VAL   83   2.34 +/- 0.28  99.993% * 99.7372% (0.87  10.0 10.00   4.24  87.17) = 100.000%  kept
          HB2   CYS   53 - QG1   VAL   83  14.40 +/- 1.28   0.005% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG1   VAL   83  17.56 +/- 3.57   0.001% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  19.15 +/- 1.80   0.001% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  18.74 +/- 3.57   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.29, residual support = 87.2:
    * O T HB    VAL   83 - QG1   VAL   83   2.13 +/- 0.01  99.988% * 99.3915% (0.78  10.0 10.00   4.29  87.17) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  11.61 +/- 1.50   0.005% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  14.62 +/- 1.68   0.001% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  15.90 +/- 3.35   0.001% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  13.97 +/- 3.13   0.002% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  14.68 +/- 1.47   0.001% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  19.47 +/- 1.74   0.000% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  19.40 +/- 3.14   0.000% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  20.61 +/- 3.08   0.000% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  21.43 +/- 2.74   0.000% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  24.68 +/- 2.47   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  25.26 +/- 2.35   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 = 4.78, residual support = 87.2:
    * O T QG2   VAL   83 - QG1   VAL   83   2.08 +/- 0.04  99.683% * 99.0399% (0.87  10.0 10.00   4.78  87.17) =  99.998%  kept
        T QD1   ILE   89 - QG1   VAL   83   6.82 +/- 1.08   0.223% *  0.8882% (0.78   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - QG1   VAL   83   8.28 +/- 2.94   0.093% *  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, 62.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 87.2:
    * O T HA    VAL   83 - QG2   VAL   83   2.67 +/- 0.32  99.982% * 99.7372% (1.00  10.0 10.00   4.43  87.17) = 100.000%  kept
          HB2   CYS   53 - QG2   VAL   83  12.84 +/- 1.14   0.013% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG2   VAL   83  17.45 +/- 3.03   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  17.73 +/- 1.65   0.002% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  18.79 +/- 3.11   0.001% *  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, 62.25 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.49, residual support = 87.2:
    * O T HB    VAL   83 - QG2   VAL   83   2.12 +/- 0.02  99.982% * 99.3915% (0.90  10.0 10.00   4.49  87.17) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83  10.74 +/- 1.65   0.009% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  13.50 +/- 1.46   0.002% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  12.87 +/- 1.58   0.003% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  15.56 +/- 3.00   0.001% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  14.45 +/- 2.79   0.002% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  19.34 +/- 2.94   0.000% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  18.75 +/- 1.80   0.000% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  19.39 +/- 2.74   0.000% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  19.60 +/- 2.68   0.000% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  23.47 +/- 2.47   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  24.08 +/- 2.46   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, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.78, residual support = 87.2:
    * O T QG1   VAL   83 - QG2   VAL   83   2.08 +/- 0.04  89.993% * 99.3306% (0.87  10.0 10.00   4.78  87.17) =  99.988%  kept
          QD2   LEU   80 - QG2   VAL   83   3.53 +/- 0.79   9.204% *  0.0917% (0.80   1.0  1.00   0.02   0.02) =   0.009%
        T QG2   ILE   89 - QG2   VAL   83   5.21 +/- 1.00   0.758% *  0.2855% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - QG2   VAL   83   8.29 +/- 2.22   0.040% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  12.90 +/- 2.42   0.003% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  15.32 +/- 2.75   0.001% *  0.1105% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  14.98 +/- 2.27   0.001% *  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, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.92, residual support = 18.3:
    * O T QB    ALA   84 - HA    ALA   84   2.13 +/- 0.01  99.614% * 99.1332% (0.93  10.0 10.00   2.92  18.30) = 100.000%  kept
          HB3   LEU   80 - HA    ALA   84   5.92 +/- 0.85   0.377% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   84  12.76 +/- 1.32   0.003% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  12.73 +/- 0.94   0.002% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  16.80 +/- 3.01   0.001% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  16.89 +/- 2.83   0.001% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  14.23 +/- 1.72   0.001% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  16.84 +/- 2.96   0.001% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  20.05 +/- 1.95   0.000% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  19.81 +/- 2.87   0.000% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  17.84 +/- 2.02   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  22.72 +/- 2.54   0.000% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  22.82 +/- 3.52   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  27.08 +/- 1.59   0.000% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  24.83 +/- 2.44   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  24.66 +/- 1.43   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  27.72 +/- 2.50   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 = 2.92, residual support = 18.3:
    * O T HA    ALA   84 - QB    ALA   84   2.13 +/- 0.01  99.375% * 99.6067% (0.93  10.0 10.00   2.92  18.30) =  99.999%  kept
          HB2   TRP   49 - QB    ALA   84  10.12 +/- 1.91   0.621% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QB    ALA   84  13.28 +/- 2.42   0.004% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  19.54 +/- 1.78   0.000% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  19.84 +/- 1.32   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  46.049% * 98.0072% (1.00  10.0 10.00   2.28  18.14) =  99.967%  kept
          HA    ALA   88 - HA    SER   85   2.29 +/- 0.06  53.943% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.033%
        T QB    SER   48 - HA    SER   85  13.39 +/- 1.96   0.003% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  16.22 +/- 1.79   0.001% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85  12.26 +/- 1.76   0.003% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  18.97 +/- 2.09   0.000% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.81 +/- 2.06   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  23.19 +/- 2.09   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  24.09 +/- 3.35   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  29.74 +/- 1.23   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  31.52 +/- 1.78   0.000% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  30.58 +/- 1.76   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  29.47 +/- 2.41   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  95.790% * 96.1605% (1.00  10.0 10.00   2.28  18.14) =  99.998%  kept
          HA    ASP-  86 - QB    SER   85   4.14 +/- 0.19   3.718% *  0.0361% (0.38   1.0  1.00   0.02  13.43) =   0.001%
        T HA1   GLY   51 - QB    SER   48   9.00 +/- 1.25   0.057% *  0.1141% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   85   8.39 +/- 1.19   0.057% *  0.0962% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   48   7.31 +/- 1.17   0.220% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   8.14 +/- 1.36   0.099% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  13.39 +/- 1.96   0.006% *  0.2345% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85  10.42 +/- 0.59   0.014% *  0.0661% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  13.53 +/- 0.86   0.003% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  17.89 +/- 1.93   0.001% *  0.4681% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  20.18 +/- 2.95   0.000% *  0.9426% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  15.24 +/- 1.45   0.001% *  0.0953% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  11.77 +/- 2.15   0.022% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  13.04 +/- 0.64   0.004% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.35 +/- 0.74   0.003% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  26.15 +/- 2.44   0.000% *  0.5832% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  19.28 +/- 1.06   0.000% *  0.0900% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.79 +/- 1.40   0.000% *  0.0722% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  23.40 +/- 1.07   0.000% *  0.2298% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  23.19 +/- 2.09   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  16.48 +/- 1.74   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.80 +/- 1.02   0.003% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  25.98 +/- 0.92   0.000% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.06 +/- 1.15   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  20.32 +/- 1.26   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  35.74 +/- 4.05   0.000% *  0.0943% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  29.30 +/- 2.00   0.000% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  23.75 +/- 2.15   0.000% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  23.40 +/- 2.82   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  33.62 +/- 3.20   0.000% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  25.79 +/- 1.12   0.000% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  31.37 +/- 2.64   0.000% *  0.0230% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  28.75 +/- 2.74   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  26.55 +/- 1.33   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  34.24 +/- 1.91   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  31.70 +/- 1.85   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 = 3.51, residual support = 42.0:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.01 +/- 0.12  99.985% * 99.6568% (1.00  10.0 10.00   3.51  42.00) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  15.92 +/- 3.78   0.008% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  15.53 +/- 0.83   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  22.95 +/- 4.16   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  22.76 +/- 3.57   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  27.46 +/- 1.38   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 = 42.0:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.60 +/- 0.15  99.984% * 98.9853% (1.00  10.0 10.00   2.00  42.00) = 100.000%  kept
          HB3   PHE   45 - HA    ASP-  86  12.52 +/- 1.80   0.009% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    ASP-  86  15.28 +/- 3.76   0.004% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  19.49 +/- 3.58   0.001% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  27.52 +/- 1.70   0.000% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  23.93 +/- 2.09   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  19.94 +/- 2.49   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  27.20 +/- 4.21   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 = 3.51, residual support = 42.0:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.01 +/- 0.12  97.670% * 99.5343% (1.00  10.0 10.00   3.51  42.00) =  99.999%  kept
          HA    SER   85 - HB2   ASP-  86   5.70 +/- 0.14   2.195% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - HB2   ASP-  86   9.77 +/- 1.15   0.107% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  13.44 +/- 2.61   0.019% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  17.22 +/- 4.34   0.006% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  20.88 +/- 4.30   0.002% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  29.64 +/- 3.02   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  34.51 +/- 4.23   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  36.88 +/- 5.10   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 = 2.88, residual support = 42.0:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  99.994% * 99.6638% (1.00  10.0 10.00   2.88  42.00) = 100.000%  kept
          HB3   PHE   45 - HB2   ASP-  86  10.13 +/- 2.10   0.004% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  13.06 +/- 4.03   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  17.68 +/- 3.42   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  17.72 +/- 2.92   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  22.16 +/- 2.11   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  24.91 +/- 1.97   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  25.03 +/- 4.18   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 = 42.0:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.60 +/- 0.15  99.208% * 99.5343% (1.00  10.0 10.00   2.00  42.00) = 100.000%  kept
          HA    SER   85 - HB3   ASP-  86   6.02 +/- 0.38   0.761% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.000%
          HB    THR   77 - HB3   ASP-  86  10.65 +/- 0.74   0.023% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  14.40 +/- 2.33   0.005% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  17.67 +/- 4.17   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  21.41 +/- 4.14   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  30.13 +/- 2.90   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  34.86 +/- 4.17   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  37.15 +/- 5.07   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 = 2.88, residual support = 42.0:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.999% * 99.6568% (1.00  10.0 10.00   2.88  42.00) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  13.79 +/- 3.70   0.001% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  14.60 +/- 1.18   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  20.89 +/- 4.16   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  20.73 +/- 3.58   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  25.84 +/- 1.47   0.000% *  0.0920% (0.92   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 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HB2   TRP   87 - HA    TRP   87   2.23 +/- 0.04 100.000% * 99.9010% (1.00  10.0 10.00   4.31  74.42) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  19.98 +/- 1.68   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 = 74.4:
    * O T HB3   TRP   87 - HA    TRP   87   2.90 +/- 0.05  99.998% * 99.8563% (1.00  10.0 10.00   4.31  74.42) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  19.07 +/- 2.29   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  26.03 +/- 2.58   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 0.01 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HA    TRP   87 - HB2   TRP   87   2.23 +/- 0.04  99.999% * 99.8808% (1.00  10.0 10.00   4.31  74.42) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  18.32 +/- 3.91   0.001% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  21.12 +/- 2.09   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  30.66 +/- 3.17   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 = 74.4:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.8563% (1.00  10.0 10.00   4.00  74.42) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  18.80 +/- 2.15   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  24.14 +/- 2.82   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 = 74.4:
    * O T HA    TRP   87 - HB3   TRP   87   2.90 +/- 0.05  99.997% * 99.3033% (1.00  10.0 10.00   4.31  74.42) = 100.000%  kept
        T HA    PHE   59 - HB3   TRP   87  20.48 +/- 1.79   0.001% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   TRP   87  19.17 +/- 3.46   0.002% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  30.23 +/- 2.87   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 = 74.4:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  74.42) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  17.25 +/- 1.65   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 = 2.29, residual support = 11.9:
    * O T QB    ALA   88 - HA    ALA   88   2.14 +/- 0.01  99.939% * 99.6403% (1.00  10.0 10.00   2.29  11.86) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   7.93 +/- 1.23   0.053% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  10.43 +/- 0.57   0.008% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  19.95 +/- 2.61   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  20.74 +/- 3.00   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  27.89 +/- 2.58   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  23.58 +/- 1.72   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  31.28 +/- 2.62   0.000% *  0.0832% (0.84   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 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.29, residual support = 11.9:
    * O T HA    ALA   88 - QB    ALA   88   2.14 +/- 0.01  99.442% * 97.3461% (1.00  10.0 10.00   2.29  11.86) = 100.000%  kept
          QB    SER   85 - QB    ALA   88   5.12 +/- 0.20   0.546% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  10.57 +/- 0.21   0.007% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  13.03 +/- 1.67   0.003% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QB    ALA   88  14.43 +/- 1.82   0.002% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  21.49 +/- 2.69   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  20.41 +/- 2.13   0.000% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  21.09 +/- 1.58   0.000% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  24.14 +/- 2.45   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  25.24 +/- 1.46   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  27.28 +/- 1.87   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 = 217.3:
    * O T HB    ILE   89 - HA    ILE   89   2.97 +/- 0.09  99.778% * 99.6008% (0.80  10.0 10.00   5.44 217.33) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89  12.95 +/- 1.97   0.024% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89   9.70 +/- 1.59   0.180% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  12.94 +/- 1.06   0.017% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  23.86 +/- 2.15   0.000% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  23.46 +/- 1.94   0.000% *  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 = 6.37, residual support = 217.3:
    * O T QG2   ILE   89 - HA    ILE   89   2.46 +/- 0.20  99.930% * 99.9320% (1.00  10.0 10.00   6.37 217.33) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   9.08 +/- 0.99   0.069% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  19.69 +/- 1.83   0.000% *  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 = 5.86, residual support = 217.3:
    * O T HG12  ILE   89 - HA    ILE   89   2.81 +/- 0.59  99.952% * 99.3078% (1.00  10.0 10.00   5.86 217.33) = 100.000%  kept
          HG3   LYS+ 111 - HA    ILE   89  15.97 +/- 3.04   0.007% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   89  14.53 +/- 2.19   0.016% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  19.43 +/- 3.24   0.022% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  25.32 +/- 1.92   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  23.00 +/- 2.27   0.001% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  22.65 +/- 2.00   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  22.77 +/- 2.08   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 217.3:
    * O T HA    ILE   89 - HB    ILE   89   2.97 +/- 0.09  99.790% * 99.2091% (0.80  10.0 10.00   5.44 217.33) = 100.000%  kept
        T HA    ILE   89 - HB    VAL   43  12.95 +/- 1.97   0.024% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    ILE   89  10.39 +/- 0.88   0.065% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  13.03 +/- 2.35   0.029% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  12.48 +/- 0.74   0.020% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.34 +/- 1.15   0.023% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  17.99 +/- 2.55   0.003% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  15.28 +/- 2.78   0.009% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  15.46 +/- 0.73   0.005% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  11.88 +/- 0.68   0.026% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  23.88 +/- 2.23   0.000% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  26.49 +/- 2.09   0.000% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  21.18 +/- 1.56   0.001% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  20.68 +/- 1.94   0.001% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  29.24 +/- 2.29   0.000% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.78 +/- 1.08   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 = 5.84, residual support = 217.3:
    * O T QG2   ILE   89 - HB    ILE   89   2.10 +/- 0.01  99.817% * 99.5317% (0.80  10.0 10.00   5.84 217.33) = 100.000%  kept
          QG1   VAL   83 - HB    ILE   89   7.47 +/- 1.22   0.124% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB    VAL   43   9.41 +/- 1.65   0.018% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   9.36 +/- 2.88   0.033% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  10.57 +/- 0.90   0.007% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  19.16 +/- 2.49   0.000% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.2, residual support = 217.3:
    * O T HG12  ILE   89 - HB    ILE   89   2.65 +/- 0.27  99.817% * 98.9436% (0.80  10.0 10.00   5.20 217.33) = 100.000%  kept
        T HG12  ILE   89 - HB    VAL   43  12.26 +/- 2.15   0.018% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.40 +/- 0.64   0.007% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.53 +/- 0.58   0.055% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  10.71 +/- 1.27   0.037% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  17.07 +/- 3.38   0.004% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  13.32 +/- 1.52   0.008% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  10.21 +/- 0.99   0.038% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  24.41 +/- 2.22   0.000% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  12.78 +/- 0.98   0.011% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  20.13 +/- 2.88   0.001% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  17.94 +/- 1.61   0.001% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  21.62 +/- 1.92   0.000% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  21.30 +/- 1.56   0.000% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  21.23 +/- 1.47   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  19.37 +/- 1.94   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 = 6.37, residual support = 217.3:
    * O T HA    ILE   89 - QG2   ILE   89   2.46 +/- 0.20  99.898% * 99.5272% (1.00  10.0 10.00   6.37 217.33) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   9.68 +/- 0.49   0.032% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89   9.42 +/- 1.80   0.062% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  13.94 +/- 2.21   0.006% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  19.49 +/- 1.79   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  21.79 +/- 1.73   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  17.10 +/- 1.63   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  23.68 +/- 2.14   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 = 5.84, residual support = 217.3:
    * O T HB    ILE   89 - QG2   ILE   89   2.10 +/- 0.01  99.888% * 99.0138% (0.80  10.0 10.00   5.84 217.33) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   9.41 +/- 1.65   0.018% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   7.38 +/- 1.03   0.079% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89   9.48 +/- 1.25   0.015% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  18.94 +/- 2.16   0.000% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  18.59 +/- 1.81   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 = 6.28, residual support = 217.3:
    * O T HG12  ILE   89 - QG2   ILE   89   3.00 +/- 0.29  99.784% * 99.3078% (1.00  10.0 10.00   6.28 217.33) = 100.000%  kept
          HG2   LYS+  74 - QG2   ILE   89   9.96 +/- 1.73   0.156% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QG2   ILE   89  13.07 +/- 2.90   0.032% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  20.08 +/- 1.61   0.001% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  15.34 +/- 2.56   0.015% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  17.50 +/- 1.79   0.003% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  17.21 +/- 1.42   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  16.94 +/- 1.54   0.004% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.86, residual support = 217.3:
    * O T HA    ILE   89 - HG12  ILE   89   2.81 +/- 0.59  99.370% * 98.5945% (1.00  10.0 10.00   5.86 217.33) =  99.998%  kept
        T HB    THR   39 - HG3   LYS+  99   8.46 +/- 1.26   0.405% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.002%
          HB3   SER   82 - HG12  ILE   89  11.19 +/- 1.82   0.102% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   LYS+  99  10.86 +/- 1.30   0.076% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  13.64 +/- 2.47   0.022% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  17.79 +/- 3.10   0.003% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  15.52 +/- 1.98   0.007% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  25.32 +/- 1.92   0.000% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  20.25 +/- 2.91   0.002% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  15.39 +/- 1.30   0.009% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  24.31 +/- 2.34   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  26.95 +/- 2.52   0.000% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  21.42 +/- 2.55   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  29.98 +/- 2.61   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  26.92 +/- 3.26   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  30.13 +/- 1.21   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 = 0.684, support = 5.29, residual support = 209.5:
    * O T HB    ILE   89 - HG12  ILE   89   2.65 +/- 0.27  35.038% * 78.0851% (0.80  10.0 10.00   5.20 217.33) =  83.124%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.49 +/- 0.17  46.709% *  6.1021% (0.06  10.0 10.00   6.44 171.16) =   8.660%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.96 +/- 0.19  18.219% * 14.8429% (0.15  10.0  1.00   5.01 171.16) =   8.216%  kept
        T HB    VAL   43 - HG12  ILE   89  12.26 +/- 2.15   0.006% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89   9.85 +/- 1.79   0.022% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.40 +/- 0.64   0.002% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  13.26 +/- 1.58   0.003% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.71 +/- 1.32   0.000% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  24.41 +/- 2.22   0.000% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  22.62 +/- 2.63   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  23.02 +/- 2.96   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  27.09 +/- 1.22   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 = 6.28, residual support = 217.3:
    * O T QG2   ILE   89 - HG12  ILE   89   3.00 +/- 0.29  70.877% * 99.5013% (1.00  10.0 10.00   6.28 217.33) =  99.997%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.63 +/- 0.56  28.343% *  0.0062% (0.06   1.0  1.00   0.02  16.88) =   0.003%
          QG1   VAL   83 - HG12  ILE   89   8.03 +/- 1.74   0.776% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE   89 - HG3   LYS+  99  20.08 +/- 1.61   0.001% *  0.4035% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  19.14 +/- 3.17   0.002% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  19.07 +/- 2.48   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.5:
    * O T HB2   GLN   90 - HA    GLN   90   2.60 +/- 0.33  99.981% * 98.5005% (0.78  10.0 10.00   3.96  95.54) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90  12.00 +/- 1.55   0.019% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  24.36 +/- 1.75   0.000% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  23.33 +/- 1.80   0.000% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  27.29 +/- 1.80   0.000% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  32.27 +/- 1.50   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 = 3.96, residual support = 95.5:
    * O T HB3   GLN   90 - HA    GLN   90   2.79 +/- 0.28  98.836% * 99.0333% (0.82  10.0 10.00   3.96  95.54) =  99.999%  kept
          QB    LYS+  81 - HA    GLN   90   7.36 +/- 2.11   0.747% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    GLN   90   7.44 +/- 0.94   0.373% *  0.0577% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  14.58 +/- 2.79   0.031% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  15.53 +/- 1.80   0.006% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  15.03 +/- 1.07   0.005% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  20.61 +/- 2.03   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  21.41 +/- 1.81   0.001% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  21.99 +/- 1.00   0.000% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  23.71 +/- 1.79   0.000% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  22.02 +/- 1.46   0.001% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  31.62 +/- 1.39   0.000% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  30.41 +/- 1.99   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 = 3.59, residual support = 95.5:
    * O T QG    GLN   90 - HA    GLN   90   2.61 +/- 0.19  99.789% * 99.3855% (0.88  10.0 10.00   3.59  95.54) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   7.99 +/- 1.29   0.207% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  15.05 +/- 1.15   0.003% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  20.81 +/- 1.09   0.000% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  21.56 +/- 0.98   0.000% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  26.12 +/- 1.73   0.000% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  27.24 +/- 2.09   0.000% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  22.76 +/- 1.74   0.000% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  35.50 +/- 3.35   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 0.00 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.5:
    * O T HA    GLN   90 - HB2   GLN   90   2.60 +/- 0.33  99.970% * 98.8405% (0.78  10.0 10.00   3.96  95.54) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.00 +/- 1.55   0.019% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  15.25 +/- 1.50   0.004% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  17.48 +/- 1.74   0.002% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  17.05 +/- 1.17   0.002% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.68 +/- 2.89   0.001% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  20.27 +/- 1.95   0.001% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  20.85 +/- 1.01   0.001% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.09 +/- 0.89   0.001% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.59 +/- 1.36   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 = 95.5:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.927% * 96.7995% (0.67  10.0 10.00   3.99  95.54) = 100.000%  kept
          QB    LYS+  81 - HB3   GLU-  79   6.86 +/- 0.31   0.029% *  0.0752% (0.52   1.0  1.00   0.02   1.56) =   0.000%
          QB    LYS+  81 - HB2   GLN   90   8.51 +/- 1.85   0.015% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   90   7.90 +/- 1.66   0.025% *  0.0564% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  13.87 +/- 1.62   0.001% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  14.82 +/- 2.40   0.001% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  13.24 +/- 2.05   0.001% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  16.14 +/- 1.52   0.000% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  16.17 +/- 1.24   0.000% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  16.43 +/- 2.19   0.000% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  15.77 +/- 2.26   0.000% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  16.99 +/- 1.62   0.000% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  18.05 +/- 1.87   0.000% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  18.62 +/- 1.79   0.000% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  33.54 +/- 1.27   0.000% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  22.68 +/- 1.96   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  22.97 +/- 1.72   0.000% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  23.32 +/- 1.01   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  23.07 +/- 1.85   0.000% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  25.56 +/- 1.73   0.000% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  23.72 +/- 1.16   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  21.63 +/- 1.57   0.000% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.78 +/- 1.18   0.000% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  27.34 +/- 1.31   0.000% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  26.87 +/- 1.52   0.000% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  31.95 +/- 2.03   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 = 3.92, residual support = 95.5:
    * O T QG    GLN   90 - HB2   GLN   90   2.38 +/- 0.14  99.707% * 96.7466% (0.72  10.0 10.00   3.92  95.54) = 100.000%  kept
        T QG    GLN   90 - HB3   GLU-  79  12.26 +/- 1.14   0.009% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   7.97 +/- 2.31   0.271% *  0.0166% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  13.98 +/- 1.48   0.003% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  12.60 +/- 1.11   0.005% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  16.70 +/- 1.06   0.001% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.79 +/- 1.09   0.001% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  26.93 +/- 3.46   0.000% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  19.05 +/- 1.92   0.001% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  19.66 +/- 1.87   0.000% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  24.83 +/- 1.69   0.000% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  22.53 +/- 1.04   0.000% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  16.77 +/- 2.08   0.001% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  22.59 +/- 1.28   0.000% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  37.14 +/- 3.37   0.000% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  23.14 +/- 1.07   0.000% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  27.75 +/- 1.69   0.000% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  28.85 +/- 2.02   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 0.06 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 95.5:
    * O T HA    GLN   90 - HB3   GLN   90   2.79 +/- 0.28  99.989% * 99.7400% (0.82  10.0 10.00   3.96  95.54) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  15.24 +/- 1.55   0.006% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  17.91 +/- 1.86   0.002% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  20.70 +/- 0.91   0.001% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  17.93 +/- 1.02   0.002% *  0.0157% (0.13   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 = 95.5:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.999% * 98.2851% (0.67  10.0 10.00   3.99  95.54) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  13.87 +/- 1.62   0.001% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  26.30 +/- 1.56   0.000% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  25.25 +/- 1.61   0.000% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  28.96 +/- 1.60   0.000% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  34.00 +/- 1.30   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 = 3.92, residual support = 95.5:
    * O T QG    GLN   90 - HB3   GLN   90   2.40 +/- 0.14  99.789% * 99.3855% (0.75  10.0 10.00   3.92  95.54) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   8.08 +/- 1.88   0.210% *  0.0171% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  16.75 +/- 0.93   0.001% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  22.59 +/- 0.96   0.000% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  22.62 +/- 1.13   0.000% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  27.81 +/- 1.63   0.000% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  28.98 +/- 1.95   0.000% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  24.70 +/- 1.56   0.000% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  37.24 +/- 3.28   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 = 3.59, residual support = 95.5:
    * O T HA    GLN   90 - QG    GLN   90   2.61 +/- 0.19  99.991% * 99.7400% (0.88  10.0 10.00   3.59  95.54) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  14.29 +/- 1.45   0.004% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  16.93 +/- 1.48   0.002% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  18.40 +/- 1.27   0.001% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  16.21 +/- 0.90   0.002% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.92, residual support = 95.5:
    * O T HB2   GLN   90 - QG    GLN   90   2.38 +/- 0.14  99.991% * 97.8434% (0.72  10.0 10.00   3.92  95.54) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  12.26 +/- 1.14   0.009% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  21.96 +/- 1.65   0.000% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  22.98 +/- 1.77   0.000% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  25.43 +/- 1.86   0.000% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  29.99 +/- 1.71   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 = 3.92, residual support = 95.5:
    * O T HB3   GLN   90 - QG    GLN   90   2.40 +/- 0.14  99.543% * 98.5216% (0.75  10.0 10.00   3.92  95.54) =  99.999%  kept
        T HB2   MET   92 - QG    GLN   90   7.74 +/- 1.56   0.205% *  0.5741% (0.44   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QG    GLN   90   7.18 +/- 1.40   0.242% *  0.1058% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG    GLN   90  14.10 +/- 1.30   0.003% *  0.1089% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  14.69 +/- 2.21   0.004% *  0.0715% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  15.39 +/- 1.42   0.002% *  0.1116% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  19.64 +/- 1.91   0.000% *  0.0668% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  19.83 +/- 2.04   0.000% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  20.62 +/- 1.09   0.000% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  22.41 +/- 1.81   0.000% *  0.0901% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  21.42 +/- 1.03   0.000% *  0.0364% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  29.38 +/- 1.61   0.000% *  0.0985% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  28.76 +/- 1.95   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 = 2.24, residual support = 14.6:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.01  99.979% * 98.3255% (1.00  10.0 10.00   2.24  14.57) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91   9.81 +/- 1.54   0.017% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  15.36 +/- 2.66   0.001% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  13.16 +/- 2.11   0.003% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  22.16 +/- 0.99   0.000% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  19.85 +/- 0.98   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  22.21 +/- 1.75   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.31 +/- 1.71   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.64 +/- 0.48   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.98 +/- 1.36   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 = 2.24, residual support = 14.6:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.01  99.880% * 99.0540% (1.00  10.0 10.00   2.24  14.57) = 100.000%  kept
          HA    PRO   52 - QB    ALA   91   9.16 +/- 1.61   0.030% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   7.37 +/- 0.50   0.066% *  0.0096% (0.10   1.0  1.00   0.02   1.56) =   0.000%
          HA    VAL  107 - QB    ALA   91  12.55 +/- 1.76   0.004% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   39  11.14 +/- 1.03   0.006% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   91  10.24 +/- 1.16   0.011% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  15.36 +/- 2.66   0.001% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  15.60 +/- 0.84   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  22.16 +/- 0.99   0.000% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.44 +/- 0.48   0.000% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  20.22 +/- 1.66   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  21.03 +/- 1.35   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.22 +/- 1.01   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.37 +/- 1.50   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  21.24 +/- 2.37   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 = 132.2:
    * O T HA    PRO   93 - HD2   PRO   93   3.95 +/- 0.07 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.20) = 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 = 132.2:
    * O T HB2   PRO   93 - HD2   PRO   93   3.89 +/- 0.17  62.837% * 99.2584% (0.73  10.0 10.00   5.40 132.20) =  99.981%  kept
          HG3   PRO   52 - HD2   PRO   93   5.59 +/- 3.14  35.650% *  0.0306% (0.22   1.0  1.00   0.02   0.70) =   0.018%
          HB    VAL  108 - HD2   PRO   93   8.16 +/- 1.21   1.200% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HD2   PRO   93  10.16 +/- 0.84   0.223% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  12.76 +/- 1.10   0.064% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  15.45 +/- 1.26   0.020% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  22.48 +/- 1.29   0.002% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  21.15 +/- 0.79   0.003% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.95 +/- 0.61   0.001% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  29.29 +/- 2.24   0.000% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  38.22 +/- 2.82   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 = 132.2:
    * O T HG2   PRO   93 - HD2   PRO   93   2.48 +/- 0.27  91.699% * 99.4388% (0.73  10.0 10.00   4.00 132.20) =  99.997%  kept
          HB3   PRO   52 - HD2   PRO   93   5.12 +/- 2.55   8.297% *  0.0307% (0.22   1.0  1.00   0.02   0.70) =   0.003%
          QB    LYS+  66 - HD2   PRO   93  17.81 +/- 1.19   0.001% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  17.92 +/- 0.91   0.001% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.84 +/- 1.12   0.001% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.11 +/- 0.66   0.001% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  20.53 +/- 0.65   0.000% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.86 +/- 0.98   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  20.73 +/- 1.61   0.000% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  22.96 +/- 1.34   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 = 132.2:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.360% * 98.6805% (0.65  10.0 10.00   4.00 132.20) =  99.999%  kept
          HB3   CYS   53 - HD2   PRO   93   5.44 +/- 1.65   0.573% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HD2   PRO   93   7.11 +/- 1.45   0.063% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  11.57 +/- 1.30   0.002% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  10.46 +/- 0.88   0.003% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  22.67 +/- 1.25   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 = 132.2:
    * O T HA    PRO   93 - HD3   PRO   93   3.82 +/- 0.07  99.995% * 99.8223% (0.90  10.0 10.00   5.31 132.20) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  20.09 +/- 1.33   0.005% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.882, support = 5.3, residual support = 129.0:
    * O T HB2   PRO   93 - HD3   PRO   93   3.85 +/- 0.28  46.905% * 95.1953% (0.90  10.0 10.00   5.40 132.20) =  97.536%  kept
          HG3   PRO   52 - HD3   PRO   93   4.59 +/- 3.03  52.143% *  2.1578% (0.28   1.0  1.00   1.47   0.70) =   2.458%  kept
        T HB2   ARG+  54 - HD3   PRO   93   9.07 +/- 0.92   0.311% *  0.8258% (0.78   1.0 10.00   0.02   0.02) =   0.006%
          HB    VAL  108 - HD3   PRO   93   9.28 +/- 1.31   0.425% *  0.0762% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  12.38 +/- 0.97   0.054% *  0.0294% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  15.88 +/- 1.53   0.016% *  0.0636% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  15.84 +/- 1.22   0.016% *  0.0539% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  19.37 +/- 1.33   0.004% *  0.1694% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  11.90 +/- 1.50   0.072% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  22.44 +/- 1.25   0.002% *  0.2647% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  17.74 +/- 1.63   0.008% *  0.0471% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  23.19 +/- 1.47   0.001% *  0.1470% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  28.99 +/- 2.14   0.000% *  0.3573% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  22.24 +/- 2.22   0.002% *  0.0697% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  21.20 +/- 0.78   0.002% *  0.0539% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  15.66 +/- 1.53   0.019% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  16.85 +/- 1.01   0.009% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  17.07 +/- 1.78   0.008% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  20.87 +/- 1.50   0.002% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  38.01 +/- 2.73   0.000% *  0.3914% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.56 +/- 0.43   0.000% *  0.0463% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  25.45 +/- 1.48   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 0.17 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.878, support = 3.9, residual support = 128.3:
    * O T HG2   PRO   93 - HD3   PRO   93   2.73 +/- 0.28  57.634% * 89.3229% (0.90  10.0 10.00   4.00 132.20) =  97.014%  kept
        T HB3   PRO   52 - HD3   PRO   93   4.37 +/- 2.31  15.956% *  9.9077% (0.28   1.0 10.00   0.72   0.70) =   2.979%  kept
          QB    LYS+  66 - HD3   PRO   68   3.87 +/- 1.27  25.955% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.007%
          QB    LYS+  65 - HD3   PRO   68   6.70 +/- 0.78   0.347% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  10.07 +/- 2.17   0.072% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  11.21 +/- 0.71   0.012% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  17.89 +/- 1.24   0.001% *  0.0801% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  17.71 +/- 0.88   0.001% *  0.0746% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.80 +/- 1.33   0.014% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  20.82 +/- 1.26   0.000% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.63 +/- 0.79   0.001% *  0.0506% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  14.62 +/- 1.01   0.003% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.58 +/- 0.54   0.000% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  20.74 +/- 0.63   0.000% *  0.0715% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.63 +/- 0.67   0.000% *  0.0825% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  17.42 +/- 1.65   0.001% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  21.13 +/- 1.48   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.36 +/- 1.35   0.001% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  24.16 +/- 1.82   0.000% *  0.0491% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  22.59 +/- 1.12   0.000% *  0.0248% (0.25   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 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.2:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.998% * 99.5607% (0.65  10.0 10.00   4.00 132.20) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93  11.26 +/- 1.45   0.002% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  18.88 +/- 0.73   0.000% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  22.67 +/- 1.25   0.000% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  21.54 +/- 1.28   0.000% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  24.78 +/- 1.28   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 = 132.2:
    * O T HB2   PRO   93 - HA    PRO   93   2.47 +/- 0.21  99.419% * 99.2584% (1.00  10.0 10.00   5.98 132.20) = 100.000%  kept
          HG3   PRO   52 - HA    PRO   93   7.69 +/- 2.58   0.423% *  0.0306% (0.31   1.0  1.00   0.02   0.70) =   0.000%
          HB    VAL  108 - HA    PRO   93   8.26 +/- 1.47   0.112% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  10.47 +/- 1.05   0.031% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  12.09 +/- 0.72   0.009% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  14.63 +/- 1.24   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  18.82 +/- 1.29   0.001% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  17.52 +/- 0.81   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.25 +/- 0.44   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  25.73 +/- 2.08   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  34.73 +/- 2.91   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 = 132.2:
    * O T HG2   PRO   93 - HA    PRO   93   3.96 +/- 0.03  95.899% * 99.4388% (1.00  10.0 10.00   5.31 132.20) =  99.999%  kept
          HB3   PRO   52 - HA    PRO   93   7.47 +/- 1.75   3.963% *  0.0307% (0.31   1.0  1.00   0.02   0.70) =   0.001%
          QB    LYS+  66 - HA    PRO   93  15.84 +/- 1.23   0.027% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  15.81 +/- 0.99   0.026% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  16.07 +/- 0.44   0.022% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  15.75 +/- 0.87   0.026% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  17.10 +/- 0.58   0.015% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  19.16 +/- 0.63   0.008% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  19.62 +/- 1.55   0.008% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  19.64 +/- 1.07   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 = 132.2:
    * O T HD2   PRO   93 - HA    PRO   93   3.95 +/- 0.07  99.227% * 99.7770% (0.73  10.0 10.00   5.31 132.20) =  99.999%  kept
          HA    THR   77 - HA    PRO   93   9.29 +/- 1.26   0.745% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HA    PRO   93  15.51 +/- 0.78   0.029% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.35 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 132.1:
    * O T HD3   PRO   93 - HA    PRO   93   3.82 +/- 0.07  67.893% * 98.6805% (0.90  10.0 10.00   5.31 132.20) =  99.948%  kept
          HB3   CYS   53 - HA    PRO   93   4.98 +/- 1.69  30.425% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.050%
          QB    PHE   55 - HA    PRO   93   8.09 +/- 1.06   0.986% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HA    PRO   93   9.12 +/- 1.31   0.510% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PRO   93  11.85 +/- 1.37   0.183% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  20.09 +/- 1.33   0.004% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.2:
    * O T HG2   PRO   93 - HB2   PRO   93   2.66 +/- 0.32  98.473% * 99.0260% (1.00  10.0 10.00   5.40 132.20) =  99.996%  kept
        T HB3   PRO   52 - HB2   PRO   93   6.77 +/- 2.09   1.256% *  0.3056% (0.31   1.0 10.00   0.02   0.70) =   0.004%
          HB2   LEU   71 - HG3   GLN   30   8.02 +/- 1.07   0.192% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  14.86 +/- 0.89   0.004% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  14.94 +/- 1.28   0.004% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  12.26 +/- 1.24   0.012% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30  10.56 +/- 1.11   0.041% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  16.87 +/- 0.76   0.002% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  17.61 +/- 0.77   0.002% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.61 +/- 1.28   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.69 +/- 0.93   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  18.34 +/- 2.01   0.001% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  22.10 +/- 1.32   0.000% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  19.48 +/- 1.40   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  17.34 +/- 1.28   0.002% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  17.20 +/- 1.35   0.002% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  16.93 +/- 1.35   0.002% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  16.24 +/- 0.75   0.002% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  24.74 +/- 3.03   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  25.31 +/- 1.79   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.2:
    * O T HD2   PRO   93 - HB2   PRO   93   3.89 +/- 0.17  96.601% * 99.6822% (0.73  10.0 10.00   5.40 132.20) =  99.999%  kept
          HA    THR   77 - HB2   PRO   93  11.18 +/- 1.60   0.238% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   GLN   30   7.07 +/- 0.61   3.120% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB2   PRO   93  17.08 +/- 1.11   0.015% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  15.83 +/- 1.13   0.023% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  22.48 +/- 1.29   0.003% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.1:
    * O T HD3   PRO   93 - HB2   PRO   93   3.85 +/- 0.28  52.295% * 97.4649% (0.90  10.0 10.00   5.40 132.20) =  99.900%  kept
          HB3   CYS   53 - HB2   PRO   93   4.69 +/- 2.21  41.888% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.088%
          QB    PHE   55 - HB2   PRO   93   6.66 +/- 1.24   3.864% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.007%
        T HD2   ARG+  54 - HB2   PRO   93  10.86 +/- 1.20   0.135% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HB2   PRO   93   7.70 +/- 1.27   1.794% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HB2   PRO   93  19.37 +/- 1.33   0.005% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  17.74 +/- 1.63   0.008% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  22.44 +/- 1.25   0.002% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  25.59 +/- 2.68   0.001% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  21.25 +/- 1.89   0.003% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  20.34 +/- 1.91   0.004% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.52 +/- 1.84   0.002% *  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 = 132.2:
    * O T HA    PRO   93 - HG2   PRO   93   3.96 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.20) = 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 = 132.2:
    * O T HB2   PRO   93 - HG2   PRO   93   2.66 +/- 0.32  94.600% * 98.7141% (1.00  10.0 10.00   5.40 132.20) =  99.983%  kept
        T HG3   PRO   52 - HG2   PRO   93   6.32 +/- 2.91   5.084% *  0.3047% (0.31   1.0 10.00   0.02   0.70) =   0.017%
          HB    VAL  108 - HG2   PRO   93   8.26 +/- 1.21   0.182% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   93  10.60 +/- 1.27   0.044% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93   9.24 +/- 1.09   0.082% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  13.43 +/- 1.22   0.007% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  22.10 +/- 1.32   0.000% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  20.77 +/- 0.88   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.26 +/- 0.64   0.000% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  28.13 +/- 2.39   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  37.05 +/- 2.62   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 = 132.2:
    * O T HD2   PRO   93 - HG2   PRO   93   2.48 +/- 0.27  99.991% * 99.7770% (0.73  10.0 10.00   4.00 132.20) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  12.70 +/- 1.32   0.008% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  19.16 +/- 0.84   0.001% *  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 = 132.2:
    * O T HD3   PRO   93 - HG2   PRO   93   2.73 +/- 0.28  92.024% * 98.6805% (0.90  10.0 10.00   4.00 132.20) =  99.991%  kept
          HB3   CYS   53 - HG2   PRO   93   5.29 +/- 1.79   4.123% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          QB    PHE   55 - HG2   PRO   93   5.71 +/- 1.50   3.665% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB2   PHE   59 - HG2   PRO   93   8.31 +/- 0.86   0.158% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   93  10.80 +/- 1.19   0.030% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  20.82 +/- 1.26   0.001% *  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 = 25.3:
    * O T HB    THR   94 - HA    THR   94   3.04 +/- 0.05  99.850% * 99.2375% (0.84  10.0 10.00   2.43  25.30) = 100.000%  kept
          QB    SER  117 - HA    THR   94  10.93 +/- 0.91   0.055% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  13.98 +/- 0.84   0.011% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  11.34 +/- 1.74   0.049% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  14.74 +/- 1.58   0.009% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.22 +/- 1.02   0.010% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  15.96 +/- 1.67   0.008% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  16.49 +/- 0.99   0.004% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  18.55 +/- 1.06   0.002% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  22.10 +/- 1.11   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 0.11 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 25.3:
    * O T QG2   THR   94 - HA    THR   94   2.42 +/- 0.23  99.970% * 99.7175% (1.00  10.0 10.00   2.96  25.30) = 100.000%  kept
          HB3   LYS+ 112 - HA    THR   94  13.00 +/- 1.37   0.007% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    THR   94  13.17 +/- 1.88   0.008% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  10.90 +/- 0.87   0.014% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  16.89 +/- 0.62   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 = 25.3:
    * O T HA    THR   94 - HB    THR   94   3.04 +/- 0.05  99.872% * 99.9751% (0.84  10.0 10.00   2.43  25.30) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94   9.46 +/- 0.80   0.128% *  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 = 25.3:
    * O T QG2   THR   94 - HB    THR   94   2.15 +/- 0.01  99.991% * 99.7175% (0.84  10.0 10.00   2.43  25.30) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  10.99 +/- 0.89   0.007% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  15.60 +/- 1.41   0.001% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  15.66 +/- 2.00   0.001% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  16.52 +/- 0.82   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 = 2.96, residual support = 25.3:
    * O T HA    THR   94 - QG2   THR   94   2.42 +/- 0.23  99.935% * 99.9751% (1.00  10.0 10.00   2.96  25.30) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   9.02 +/- 0.73   0.065% *  0.0249% (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 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - QG2   THR   94   2.15 +/- 0.01  99.967% * 99.2375% (0.84  10.0 10.00   2.43  25.30) = 100.000%  kept
          QB    SER   85 - QG2   THR   94  10.92 +/- 1.85   0.009% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QG2   THR   94  10.28 +/- 0.66   0.009% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  12.28 +/- 0.68   0.003% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  11.08 +/- 1.42   0.007% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  14.00 +/- 1.11   0.002% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.63 +/- 0.90   0.002% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  15.00 +/- 0.70   0.001% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.65 +/- 0.81   0.000% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  19.04 +/- 0.95   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   3.04 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.52) = 100.000%  kept
    Distance limit 3.69 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 +/- 0.16  99.993% * 99.8670% (1.00  10.0 10.00   4.00  73.52) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  13.62 +/- 1.34   0.006% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  20.11 +/- 1.01   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   3.04 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.52) = 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  73.52) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  11.25 +/- 1.23   0.002% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  23.01 +/- 1.02   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 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.52) = 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  73.52) = 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   2.98 +/- 0.11  98.961% * 99.6213% (0.98  10.0 10.00   5.00 115.56) = 100.000%  kept
          HB2   ASP- 105 - HA    MET   96   6.77 +/- 0.99   1.002% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    MET   96  12.05 +/- 0.80   0.025% *  0.0761% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  15.35 +/- 0.69   0.006% *  0.0723% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  16.93 +/- 0.95   0.003% *  0.0644% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  17.71 +/- 0.83   0.002% *  0.0684% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  20.08 +/- 1.35   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 +/- 0.15  99.973% * 99.7402% (0.98  10.0 10.00   5.00 115.56) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  11.24 +/- 0.71   0.025% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  23.29 +/- 1.41   0.000% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  18.94 +/- 1.29   0.001% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  32.34 +/- 3.14   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   2.78 +/- 0.55  99.995% * 99.6261% (0.98  10.0 10.00   4.44 115.56) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  16.87 +/- 2.22   0.005% *  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   2.61 +/- 0.42  99.965% * 99.7437% (0.59  10.0 10.00   4.44 115.56) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96  11.84 +/- 2.91   0.027% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  14.82 +/- 1.18   0.005% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.33 +/- 1.31   0.003% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  20.15 +/- 1.27   0.001% *  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   2.98 +/- 0.11  99.800% * 99.9773% (0.98  10.0 10.00   5.00 115.56) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.60 +/- 0.62   0.200% *  0.0227% (0.22   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 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   5.00 115.56) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  10.80 +/- 0.78   0.002% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  21.49 +/- 1.33   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.49 +/- 1.74   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  30.50 +/- 3.21   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   2.66 +/- 0.33  99.998% * 99.6261% (1.00  10.0 10.00   4.44 115.56) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  17.96 +/- 2.31   0.002% *  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   2.73 +/- 0.29  99.926% * 99.7437% (0.61  10.0 10.00   4.44 115.56) = 100.000%  kept
          HB3   TRP   87 - HB2   MET   96  11.42 +/- 2.86   0.068% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  18.03 +/- 1.48   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.70 +/- 1.03   0.003% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.43 +/- 1.54   0.001% *  0.0457% (0.28   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 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 +/- 0.15  99.914% * 99.9773% (0.98  10.0 10.00   5.00 115.56) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.35 +/- 0.68   0.086% *  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  99.993% * 99.6213% (1.00  10.0 10.00   5.00 115.56) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   9.38 +/- 0.88   0.005% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  12.65 +/- 0.82   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  14.89 +/- 1.06   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.53 +/- 0.97   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  17.20 +/- 1.08   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  17.64 +/- 1.34   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   2.80 +/- 0.22  99.997% * 99.6261% (1.00  10.0 10.00   4.44 115.56) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  16.94 +/- 2.19   0.003% *  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   2.84 +/- 0.20  99.887% * 99.7437% (0.61  10.0 10.00   4.44 115.56) = 100.000%  kept
          HB3   TRP   87 - HB3   MET   96  10.39 +/- 2.81   0.106% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  19.18 +/- 1.20   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  15.74 +/- 0.98   0.004% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  18.12 +/- 1.38   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   2.78 +/- 0.55  99.916% * 99.6779% (0.98  10.0 10.00   4.44 115.56) = 100.000%  kept
          HA    PHE   72 - HG2   MET   96  10.77 +/- 0.81   0.077% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   96 - HB2   PRO   52  16.87 +/- 2.22   0.005% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  19.90 +/- 1.36   0.001% *  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   2.66 +/- 0.33  99.823% * 99.2205% (1.00  10.0 10.00   4.44 115.56) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   8.69 +/- 1.06   0.153% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  13.20 +/- 0.99   0.008% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  17.96 +/- 2.31   0.002% *  0.2915% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  14.61 +/- 1.26   0.004% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  16.93 +/- 1.26   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  16.30 +/- 2.33   0.004% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  18.60 +/- 1.04   0.001% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  18.74 +/- 1.75   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  18.86 +/- 2.06   0.001% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  21.79 +/- 1.82   0.001% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  23.20 +/- 1.30   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  27.61 +/- 2.38   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  31.32 +/- 1.79   0.000% *  0.0212% (0.21   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 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   2.80 +/- 0.22  99.410% * 99.3732% (1.00  10.0 10.00   4.44 115.56) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.98 +/- 0.77   0.561% *  0.0073% (0.07   1.0  1.00   0.02   1.75) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.72 +/- 0.91   0.024% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  16.94 +/- 2.19   0.003% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  23.60 +/- 1.31   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  20.55 +/- 1.56   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  25.53 +/- 1.50   0.000% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  32.40 +/- 3.00   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  30.75 +/- 2.31   0.000% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  40.50 +/- 2.78   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  99.994% * 99.2819% (0.61  10.0 10.00   4.00 115.56) = 100.000%  kept
          HB3   TRP   87 - HG2   MET   96  11.04 +/- 3.27   0.005% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  18.66 +/- 2.22   0.000% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  15.84 +/- 0.95   0.000% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  19.19 +/- 1.40   0.000% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  15.53 +/- 2.26   0.001% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  17.06 +/- 1.26   0.000% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  15.59 +/- 3.06   0.000% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.77 +/- 1.48   0.000% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  33.93 +/- 1.75   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   2.61 +/- 0.42  99.969% * 99.9773% (0.59  10.0 10.00   4.44 115.56) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  10.76 +/- 0.62   0.031% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.73 +/- 0.29  99.766% * 99.6213% (0.61  10.0 10.00   4.44 115.56) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   8.29 +/- 1.10   0.214% *  0.0410% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  13.00 +/- 0.59   0.010% *  0.0761% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  14.28 +/- 0.96   0.006% *  0.0723% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  17.35 +/- 1.05   0.002% *  0.0644% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  18.61 +/- 0.91   0.001% *  0.0684% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  19.03 +/- 1.71   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 0.01 A, kept.
 
    Peak 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HB3   MET   96 - HG3   MET   96   2.84 +/- 0.20  99.968% * 99.7402% (0.61  10.0 10.00   4.44 115.56) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  11.38 +/- 0.82   0.031% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  23.56 +/- 1.36   0.000% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  20.81 +/- 1.28   0.001% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  32.33 +/- 3.30   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   4.00 115.56) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  18.66 +/- 2.22   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   2.93 +/- 0.21  99.125% * 99.7149% (1.00  10.0 10.00   2.89  62.66) = 100.000%  kept
          QE    LYS+ 106 - HA    PHE   97   8.01 +/- 1.02   0.324% *  0.0724% (0.73   1.0  1.00   0.02  11.47) =   0.000%
          QE    LYS+  99 - HA    PHE   97   7.36 +/- 0.56   0.477% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    PHE   97  11.37 +/- 1.42   0.050% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  13.35 +/- 1.53   0.016% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  14.30 +/- 0.69   0.008% *  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   2.69 +/- 0.17  99.974% * 99.7224% (0.95  10.0 10.00   3.44  62.66) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  11.31 +/- 0.51   0.020% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  15.77 +/- 1.48   0.003% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  17.14 +/- 1.14   0.002% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  18.34 +/- 1.20   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   2.93 +/- 0.21 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.66) = 100.000%  kept
    Distance limit 3.69 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  62.66) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  12.09 +/- 0.84   0.001% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.17 +/- 1.40   0.000% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  17.23 +/- 1.57   0.000% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  20.28 +/- 1.20   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   2.69 +/- 0.17 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.66) = 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  99.905% * 99.7149% (0.95  10.0 10.00   3.31  62.66) = 100.000%  kept
          QE    LYS+ 106 - HB3   PHE   97   7.33 +/- 1.45   0.048% *  0.0724% (0.69   1.0  1.00   0.02  11.47) =   0.000%
          QE    LYS+  99 - HB3   PHE   97   6.72 +/- 1.01   0.045% *  0.0410% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  12.45 +/- 1.56   0.001% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  15.89 +/- 1.50   0.000% *  0.0995% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.65 +/- 0.98   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 = 81.4:
    * O T QB    LEU   98 - HA    LEU   98   2.23 +/- 0.07  99.937% * 99.2568% (0.87  10.0 10.00   4.97  81.44) = 100.000%  kept
          HD3   LYS+ 121 - HA    LEU   98  11.51 +/- 1.80   0.012% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LEU   98   8.43 +/- 0.64   0.039% *  0.0226% (0.20   1.0  1.00   0.02   0.55) =   0.000%
          HB3   LEU   67 - HA    LEU   98  13.67 +/- 2.54   0.004% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  12.56 +/- 1.07   0.004% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  15.78 +/- 1.41   0.001% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  17.45 +/- 0.48   0.000% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.17 +/- 0.69   0.002% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.45 +/- 1.01   0.001% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  19.50 +/- 2.56   0.000% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.32 +/- 0.74   0.001% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  19.17 +/- 3.19   0.000% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  22.62 +/- 2.23   0.000% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  20.18 +/- 0.96   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 = 0.986, support = 4.76, residual support = 79.9:
    *   T QD1   LEU   98 - HA    LEU   98   2.78 +/- 0.54  74.950% * 94.0233% (1.00 10.00   4.78  81.44) =  97.939%  kept
          QD2   LEU  104 - HA    LEU   98   3.92 +/- 1.02  25.037% *  5.9228% (0.31  1.00   4.08   8.47) =   2.061%  kept
          QG2   ILE   19 - HA    LEU   98  13.80 +/- 0.75   0.006% *  0.0353% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  13.70 +/- 0.93   0.006% *  0.0186% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.36, residual support = 80.7:
    *   T QD2   LEU   98 - HA    LEU   98   3.83 +/- 0.18  87.316% * 89.3201% (1.00 10.00   4.39  81.44) =  98.484%  kept
          QG2   VAL   41 - HA    LEU   98   5.52 +/- 0.52  12.311% *  9.7500% (0.95  1.00   2.31  29.79) =   1.516%  kept
        T QD1   LEU   80 - HA    LEU   98  16.86 +/- 2.58   0.016% *  0.8932% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   98  10.13 +/- 1.50   0.356% *  0.0367% (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 = 81.4:
    * O T HA    LEU   98 - QB    LEU   98   2.23 +/- 0.07 100.000% *100.0000% (0.87  10.0 10.00   4.97  81.44) = 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 = 3.8, residual support = 81.4:
    * O T QD1   LEU   98 - QB    LEU   98   2.19 +/- 0.17  98.686% * 99.3996% (0.87  10.0 10.00   3.80  81.44) = 100.000%  kept
          QD2   LEU  104 - QB    LEU   98   5.05 +/- 0.98   1.299% *  0.0307% (0.27   1.0  1.00   0.02   8.47) =   0.000%
        T QG2   ILE   19 - QB    LEU   98  11.03 +/- 0.79   0.007% *  0.3731% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  11.03 +/- 0.90   0.008% *  0.1967% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.863, support = 3.38, residual support = 76.5:
    * O T QD2   LEU   98 - QB    LEU   98   2.08 +/- 0.07  89.855% * 51.1151% (0.87  10.0 10.00   3.44  81.44) =  90.362%  kept
        T QG2   VAL   41 - QB    LEU   98   3.19 +/- 0.45  10.132% * 48.3528% (0.82   1.0 10.00   2.85  29.79) =   9.638%  kept
        T QD1   LEU   80 - QB    LEU   98  13.80 +/- 2.39   0.001% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QB    LEU   98   9.76 +/- 1.33   0.011% *  0.0210% (0.36   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 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.78, residual support = 81.4:
    *   T HA    LEU   98 - QD1   LEU   98   2.78 +/- 0.54 100.000% *100.0000% (1.00 10.00   4.78  81.44) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.8, residual support = 81.4:
    * O T QB    LEU   98 - QD1   LEU   98   2.19 +/- 0.17  99.780% * 98.1517% (0.87  10.0 10.00   3.80  81.44) = 100.000%  kept
          HB    VAL   42 - QD1   LEU   98   7.38 +/- 1.31   0.154% *  0.0224% (0.20   1.0  1.00   0.02   0.55) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  12.90 +/- 1.63   0.004% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   LEU   98  13.80 +/- 2.80   0.003% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  11.15 +/- 1.44   0.014% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98   9.43 +/- 1.20   0.023% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  14.12 +/- 2.41   0.003% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  13.49 +/- 1.28   0.002% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.09 +/- 0.91   0.003% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  11.69 +/- 0.75   0.005% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  12.70 +/- 2.36   0.006% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  13.66 +/- 1.26   0.002% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  19.24 +/- 1.93   0.000% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  17.42 +/- 1.53   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 = 2.8, residual support = 81.4:
    * O T QD2   LEU   98 - QD1   LEU   98   2.04 +/- 0.07  94.235% * 98.8770% (1.00  10.0 10.00   2.80  81.44) =  99.994%  kept
          QG2   VAL   41 - QD1   LEU   98   4.03 +/- 0.75   5.745% *  0.0935% (0.95   1.0  1.00   0.02  29.79) =   0.006%
        T QD1   LEU   80 - QD1   LEU   98  12.27 +/- 2.38   0.003% *  0.9888% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU   98   9.29 +/- 1.59   0.016% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 81.4:
    *   T HA    LEU   98 - QD2   LEU   98   3.83 +/- 0.18  99.981% * 99.4301% (1.00 10.00   4.39  81.44) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  16.86 +/- 2.58   0.019% *  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 = 0.712, support = 3.9, residual support = 81.5:
    * O T QB    LEU   98 - QD2   LEU   98   2.08 +/- 0.07  45.589% * 50.3539% (0.87  10.0 10.00   3.44  81.44) =  68.147%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.02  42.031% * 16.1964% (0.28  10.0  1.00   4.62  81.59) =  20.209%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.71 +/- 0.37  12.214% * 32.1120% (0.55  10.0 10.00   5.31  81.59) =  11.643%  kept
          HB    VAL   42 - QD2   LEU   98   6.63 +/- 1.21   0.097% *  0.0115% (0.20   1.0  1.00   0.02   0.55) =   0.000%
        T HB2   LEU   80 - QD2   LEU   98  13.14 +/- 2.40   0.001% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   80   8.74 +/- 1.99   0.015% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   8.13 +/- 1.43   0.024% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  13.80 +/- 2.39   0.001% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  12.27 +/- 1.46   0.002% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  11.58 +/- 1.37   0.002% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  12.45 +/- 1.23   0.001% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   9.21 +/- 2.32   0.011% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.17 +/- 0.63   0.004% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  12.79 +/- 2.83   0.001% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  12.72 +/- 2.25   0.001% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.52 +/- 1.06   0.001% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  12.34 +/- 1.44   0.002% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  13.28 +/- 1.10   0.001% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.51 +/- 2.25   0.001% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  13.69 +/- 1.44   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  18.18 +/- 1.98   0.000% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  13.95 +/- 2.36   0.001% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  14.98 +/- 3.23   0.001% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  19.32 +/- 2.75   0.000% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  16.91 +/- 0.96   0.000% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  22.15 +/- 2.82   0.000% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  19.15 +/- 2.37   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  19.06 +/- 1.72   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 = 2.8, residual support = 81.4:
    * O T QD1   LEU   98 - QD2   LEU   98   2.04 +/- 0.07  99.749% * 98.8641% (1.00  10.0 10.00   2.80  81.44) =  99.999%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.25 +/- 0.92   0.189% *  0.3051% (0.31   1.0 10.00   0.02   8.47) =   0.001%
        T QD1   LEU   98 - QD1   LEU   80  12.27 +/- 2.38   0.003% *  0.5667% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80   8.92 +/- 2.09   0.028% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   9.72 +/- 1.06   0.012% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  10.00 +/- 1.05   0.010% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  10.63 +/- 2.14   0.009% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  17.18 +/- 1.95   0.000% *  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 = 171.2:
    * O T HG3   LYS+  99 - HA    LYS+  99   2.95 +/- 0.52  98.200% * 98.7502% (1.00  10.0 10.00   6.44 171.16) =  99.998%  kept
        T HG3   LYS+  38 - HA    LYS+  99   7.98 +/- 1.40   0.386% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    LYS+  99   6.61 +/- 0.43   1.225% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  99   9.29 +/- 1.21   0.171% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  15.41 +/- 1.06   0.008% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  22.28 +/- 2.56   0.001% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  18.07 +/- 1.02   0.003% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.30 +/- 1.30   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  20.75 +/- 1.47   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.79 +/- 2.05   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 0.12 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.592, support = 5.81, residual support = 171.2:
      O T HB3   LYS+  99 - HA    LYS+  99   2.80 +/- 0.29  84.423% * 28.6795% (0.41  10.0 10.00   5.81 171.16) =  69.333%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.94 +/- 0.52  15.352% * 69.7607% (1.00   1.0 10.00   5.82 171.16) =  30.667%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.96 +/- 0.57   0.017% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+  99   8.26 +/- 1.07   0.192% *  0.0155% (0.22   1.0  1.00   0.02   1.48) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  16.01 +/- 2.43   0.005% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  17.47 +/- 0.97   0.002% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  13.19 +/- 0.90   0.009% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  22.39 +/- 0.42   0.000% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  22.15 +/- 0.57   0.000% *  0.0262% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  24.79 +/- 1.84   0.000% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.01, residual support = 171.2:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.77 +/- 0.36  96.889% * 98.5233% (1.00  10.0 10.00   7.01 171.16) =  99.998%  kept
        T HG2   LYS+  38 - HA    LYS+  99   8.44 +/- 0.65   0.164% *  0.9657% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LYS+  99   6.09 +/- 0.90   2.880% *  0.0219% (0.22   1.0  1.00   0.02  17.41) =   0.001%
          HB2   LEU   31 - HA    LYS+  99  10.92 +/- 0.95   0.035% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  13.67 +/- 2.20   0.016% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  14.29 +/- 0.90   0.008% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  15.42 +/- 0.72   0.004% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  17.76 +/- 0.91   0.002% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  21.34 +/- 2.28   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  21.62 +/- 2.75   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  23.23 +/- 2.39   0.000% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  20.07 +/- 1.57   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 0.03 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 171.1:
    *   T QE    LYS+  99 - HA    LYS+  99   3.70 +/- 0.29  97.187% * 98.3577% (1.00 10.00   5.26 171.16) =  99.987%  kept
        T QE    LYS+  38 - HA    LYS+  99   8.64 +/- 0.63   0.690% *  0.8821% (0.90 10.00   0.02   0.02) =   0.006%
        T QE    LYS+ 102 - HA    LYS+  99   8.62 +/- 0.87   0.811% *  0.6756% (0.69 10.00   0.02   1.48) =   0.006%
          HB2   PHE   97 - HA    LYS+  99   7.77 +/- 0.59   1.291% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+  99  15.86 +/- 1.44   0.020% *  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 = 171.2:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.69 +/- 0.27  93.530% * 99.5483% (1.00  10.0 10.00   7.00 171.16) =  99.998%  kept
          HA    LEU   40 - HB2   LYS+  99   4.45 +/- 0.81   6.407% *  0.0248% (0.25   1.0  1.00   0.02  12.50) =   0.002%
          HA    ASN   35 - HB2   LYS+  99   9.88 +/- 0.68   0.046% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  13.61 +/- 2.30   0.013% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  21.39 +/- 1.82   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  21.68 +/- 1.53   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  17.96 +/- 1.66   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  17.99 +/- 1.68   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  21.27 +/- 1.36   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  23.26 +/- 2.16   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 = 171.2:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.49 +/- 0.17  99.794% * 98.7502% (1.00  10.0 10.00   6.44 171.16) = 100.000%  kept
        T HG3   LYS+  38 - HB2   LYS+  99   9.62 +/- 1.36   0.048% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  99   8.07 +/- 0.79   0.137% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  11.37 +/- 1.52   0.017% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  17.23 +/- 1.13   0.001% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  22.62 +/- 2.63   0.000% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  19.16 +/- 1.31   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.15 +/- 1.24   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  21.00 +/- 1.70   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  22.74 +/- 1.99   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 = 0.529, support = 4.84, residual support = 171.2:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  90.672% * 29.0322% (0.41  10.0   4.62 171.16) =  80.020%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.62 +/- 0.24   9.308% * 70.6187% (1.00  10.0   5.69 171.16) =  19.980%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.83 +/- 1.15   0.018% *  0.0157% (0.22   1.0   0.02   1.48) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  11.06 +/- 0.49   0.001% *  0.0705% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  14.91 +/- 0.97   0.000% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  14.49 +/- 2.20   0.000% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.19 +/- 1.20   0.000% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.22 +/- 0.71   0.000% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  23.62 +/- 1.86   0.000% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.98 +/- 0.88   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 = 7.01, residual support = 171.2:
    * O   HG2   LYS+  99 - HB2   LYS+  99   3.00 +/- 0.12  98.811% * 99.3871% (1.00  10.0   7.01 171.16) = 100.000%  kept
          HG    LEU   98 - HB2   LYS+  99   6.91 +/- 0.75   1.044% *  0.0221% (0.22   1.0   0.02  17.41) =   0.000%
          HG2   LYS+  38 - HB2   LYS+  99  10.25 +/- 0.67   0.070% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  13.14 +/- 0.91   0.016% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  12.49 +/- 1.96   0.039% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  14.23 +/- 1.21   0.010% *  0.0563% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  16.05 +/- 0.93   0.005% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  22.09 +/- 2.35   0.001% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  18.37 +/- 0.75   0.002% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  21.53 +/- 2.32   0.001% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  22.96 +/- 2.67   0.001% *  0.0683% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  20.75 +/- 1.52   0.001% *  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 = 171.1:
    *     QE    LYS+  99 - HB2   LYS+  99   3.07 +/- 0.66  97.096% * 99.0418% (1.00   5.05 171.16) =  99.994%  kept
          HB2   PHE   97 - HB2   LYS+  99   6.88 +/- 0.67   1.704% *  0.1612% (0.41   0.02   0.02) =   0.003%
          QE    LYS+ 102 - HB2   LYS+  99   8.32 +/- 1.11   1.008% *  0.2694% (0.69   0.02   1.48) =   0.003%
          QE    LYS+  38 - HB2   LYS+  99   9.82 +/- 0.78   0.186% *  0.3517% (0.90   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB2   LYS+  99  17.71 +/- 1.39   0.005% *  0.1758% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.2:
    * O T HA    LYS+  99 - HG3   LYS+  99   2.95 +/- 0.52  80.437% * 97.9094% (1.00  10.0 10.00   6.44 171.16) =  99.995%  kept
          HA    LEU   40 - HG3   LYS+  99   4.25 +/- 1.07  13.211% *  0.0244% (0.25   1.0  1.00   0.02  12.50) =   0.004%
          HA    ASN   35 - HG3   LYS+  38   4.88 +/- 0.81   5.467% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  99 - HG3   LYS+  38   7.98 +/- 1.40   0.309% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   LYS+  99   8.76 +/- 0.92   0.159% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  14.16 +/- 2.88   0.032% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   7.97 +/- 0.83   0.350% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  23.30 +/- 1.66   0.000% *  0.9262% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  22.28 +/- 2.56   0.001% *  0.3971% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  16.78 +/- 1.90   0.005% *  0.0376% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  21.56 +/- 3.45   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  23.20 +/- 2.07   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  19.29 +/- 1.73   0.001% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  17.41 +/- 1.95   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  19.88 +/- 2.81   0.002% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  19.83 +/- 1.64   0.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  25.21 +/- 2.63   0.000% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  28.82 +/- 1.40   0.000% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  16.84 +/- 1.89   0.008% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  27.20 +/- 2.59   0.000% *  0.0344% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  22.21 +/- 2.38   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  22.27 +/- 2.44   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  20.50 +/- 1.39   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  22.43 +/- 1.62   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  19.62 +/- 2.87   0.005% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  26.91 +/- 2.16   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  30.08 +/- 1.67   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  24.75 +/- 1.37   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  33.06 +/- 2.84   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  27.06 +/- 1.11   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 0.03 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 = 0.929, support = 4.59, residual support = 174.9:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.65 +/- 0.54  52.343% * 89.0505% (1.00  10.0 10.00   4.62 171.16) =  92.213%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.69 +/- 0.40  47.212% *  8.3338% (0.09  10.0 10.00   4.27 219.50) =   7.784%  kept
        T QE    LYS+  38 - HG3   LYS+  99   8.15 +/- 0.95   0.112% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  99   9.18 +/- 1.65   0.080% *  0.6117% (0.69   1.0 10.00   0.02   1.48) =   0.001%
        T QE    LYS+  99 - HG3   LYS+  38   8.00 +/- 1.37   0.204% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  99   9.01 +/- 0.73   0.033% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  12.14 +/- 2.15   0.009% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  19.18 +/- 3.56   0.001% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  22.09 +/- 2.34   0.000% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  14.80 +/- 2.51   0.003% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  27.15 +/- 2.47   0.000% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  18.40 +/- 1.37   0.000% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  17.35 +/- 2.65   0.001% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  15.60 +/- 1.39   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  19.20 +/- 1.00   0.000% *  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 = 0.999, support = 5.81, residual support = 171.0:
    *   T HA    LYS+  99 - QD    LYS+  99   3.94 +/- 0.52  80.452% * 95.3490% (1.00 10.00   5.82 171.16) =  99.918%  kept
          HA    LEU   40 - QD    LYS+  99   5.08 +/- 0.67  18.039% *  0.3171% (0.25  1.00   0.27  12.50) =   0.074%
        T HA    LEU  123 - QD    LYS+  99  11.63 +/- 2.21   0.386% *  0.8271% (0.87 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  99 - QD    LYS+ 106  11.96 +/- 0.57   0.128% *  0.7677% (0.81 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD    LYS+  99   9.36 +/- 0.81   0.556% *  0.0920% (0.97  1.00   0.02   0.02) =   0.001%
        T HA    ILE   56 - QD    LYS+ 106  14.03 +/- 1.44   0.058% *  0.7262% (0.76 10.00   0.02   0.02) =   0.001%
        T HA    LEU  123 - QD    LYS+ 106  15.38 +/- 1.26   0.031% *  0.6659% (0.70 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  12.93 +/- 1.58   0.100% *  0.0641% (0.67  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  20.72 +/- 1.21   0.004% *  0.9020% (0.95 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  12.82 +/- 0.86   0.090% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  13.66 +/- 1.32   0.067% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  17.35 +/- 1.13   0.015% *  0.0741% (0.78  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  19.95 +/- 1.75   0.006% *  0.0796% (0.84  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  16.99 +/- 1.21   0.016% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  16.34 +/- 1.62   0.020% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  16.77 +/- 1.01   0.017% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  20.01 +/- 0.96   0.005% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  20.59 +/- 2.08   0.005% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.72 +/- 1.22   0.004% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  27.52 +/- 1.42   0.001% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.8, residual support = 171.2:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.33 +/- 0.16  99.643% * 97.4178% (1.00  10.0  1.00   5.80 171.16) = 100.000%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  10.72 +/- 2.35   0.023% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  99   8.61 +/- 0.97   0.054% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   8.29 +/- 1.46   0.116% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  99  10.14 +/- 1.91   0.056% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.48 +/- 0.66   0.049% *  0.0217% (0.22   1.0  1.00   0.02  17.41) =   0.000%
          QB    ALA   88 - QD    LYS+ 106  12.17 +/- 2.71   0.013% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.49 +/- 1.53   0.011% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.55 +/- 1.62   0.010% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  13.50 +/- 0.95   0.003% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  13.39 +/- 0.48   0.003% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  12.55 +/- 1.30   0.005% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  21.14 +/- 2.35   0.000% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  13.68 +/- 0.77   0.003% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  15.43 +/- 1.64   0.002% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  16.94 +/- 3.25   0.001% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  13.33 +/- 2.37   0.006% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  16.16 +/- 0.93   0.001% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  15.23 +/- 1.09   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  19.15 +/- 0.97   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  21.21 +/- 2.12   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  18.23 +/- 0.83   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  22.75 +/- 2.47   0.000% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  20.47 +/- 1.44   0.000% *  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 = 171.2:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.38 +/- 0.16  99.563% * 94.6730% (1.00  10.0 10.00   5.27 171.16) =  99.999%  kept
        T HG3   LYS+  38 - QD    LYS+  99   7.91 +/- 1.33   0.164% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD    LYS+  99   7.21 +/- 0.67   0.185% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+ 106  12.40 +/- 3.87   0.016% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  11.48 +/- 1.95   0.012% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  13.10 +/- 0.57   0.004% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  10.47 +/- 1.11   0.018% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  15.34 +/- 1.46   0.002% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  11.02 +/- 1.13   0.015% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  12.04 +/- 1.80   0.013% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  18.84 +/- 1.12   0.000% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  16.63 +/- 1.00   0.001% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  18.77 +/- 1.58   0.001% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  14.28 +/- 0.74   0.002% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  16.38 +/- 1.11   0.001% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  16.22 +/- 1.37   0.001% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  21.73 +/- 2.03   0.000% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  22.51 +/- 2.45   0.000% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  19.13 +/- 1.23   0.000% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  20.56 +/- 1.37   0.000% *  0.0612% (0.65   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 = 171.2:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  99.621% * 96.3213% (1.00  10.0 10.00   4.00 171.16) =  99.999%  kept
        T QE    LYS+  38 - QD    LYS+  99   7.81 +/- 0.96   0.050% *  0.8638% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  99   8.71 +/- 1.34   0.035% *  0.6616% (0.69   1.0 10.00   0.02   1.48) =   0.000%
        T QE    LYS+ 102 - QD    LYS+ 106   9.73 +/- 1.85   0.027% *  0.5327% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+ 106   6.18 +/- 0.73   0.219% *  0.0319% (0.33   1.0  1.00   0.02  11.47) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  11.67 +/- 0.70   0.004% *  0.7755% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.92 +/- 0.76   0.044% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  17.96 +/- 0.83   0.000% *  0.6955% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.03 +/- 2.04   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.77 +/- 1.45   0.000% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.987, support = 5.21, residual support = 168.3:
    *   T HA    LYS+  99 - QE    LYS+  99   3.70 +/- 0.29  53.602% * 95.9373% (1.00 10.00   5.26 171.16) =  98.212%  kept
          HA    LEU   40 - QE    LYS+  99   3.89 +/- 0.34  40.038% *  2.3239% (0.25  1.00   1.94  12.50) =   1.777%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.62 +/- 0.87   0.455% *  0.6543% (0.68 10.00   0.02   1.48) =   0.006%
          HA    ASN   35 - QE    LYS+  38   5.99 +/- 0.90   4.034% *  0.0250% (0.26  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  99 - QE    LYS+  38   8.64 +/- 0.63   0.353% *  0.2588% (0.27 10.00   0.02   0.02) =   0.002%
          HA    LEU  123 - QE    LYS+  99  10.43 +/- 2.33   0.494% *  0.0832% (0.87  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QE    LYS+  99   9.17 +/- 0.85   0.254% *  0.0926% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+ 102  11.06 +/- 1.62   0.124% *  0.0631% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   8.77 +/- 0.93   0.419% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.45 +/- 0.97   0.140% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  15.57 +/- 1.46   0.012% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  14.59 +/- 1.57   0.021% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  19.50 +/- 1.23   0.003% *  0.0908% (0.95  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  19.26 +/- 1.87   0.003% *  0.0801% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  19.08 +/- 2.10   0.004% *  0.0568% (0.59  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  18.61 +/- 3.17   0.007% *  0.0225% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.51 +/- 2.06   0.001% *  0.0546% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  23.28 +/- 1.34   0.001% *  0.0619% (0.65  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  18.45 +/- 1.16   0.004% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  19.00 +/- 2.10   0.004% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  16.34 +/- 1.78   0.011% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  18.33 +/- 2.80   0.010% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.45 +/- 1.24   0.002% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  22.24 +/- 1.48   0.001% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  27.29 +/- 1.52   0.000% *  0.0245% (0.26  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  24.34 +/- 0.95   0.001% *  0.0101% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  28.06 +/- 1.88   0.000% *  0.0216% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  23.55 +/- 1.46   0.001% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  26.74 +/- 2.06   0.000% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  25.70 +/- 1.40   0.001% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.459, support = 4.11, residual support = 171.2:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  87.685% * 59.3750% (0.41  10.0 10.00   4.00 171.16) =  91.784%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.26 +/- 0.60  12.163% * 38.3100% (1.00   1.0  1.00   5.31 171.16) =   8.215%  kept
        T QD    LYS+  99 - QE    LYS+ 102   8.71 +/- 1.34   0.029% *  0.4049% (0.28   1.0 10.00   0.02   1.48) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.73 +/- 1.85   0.024% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   7.81 +/- 0.96   0.042% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 102   8.14 +/- 1.17   0.040% *  0.0985% (0.68   1.0  1.00   0.02   1.48) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.67 +/- 0.70   0.003% *  0.5420% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38   9.51 +/- 0.76   0.011% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  15.68 +/- 0.97   0.001% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.75 +/- 0.73   0.001% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.96 +/- 0.83   0.000% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.64 +/- 0.94   0.000% *  0.0965% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  19.43 +/- 3.33   0.000% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.74 +/- 1.08   0.000% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  22.04 +/- 2.21   0.000% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.01 +/- 0.96   0.000% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  22.60 +/- 1.10   0.000% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  27.05 +/- 2.24   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 = 0.925, support = 4.59, residual support = 175.2:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.65 +/- 0.54  51.926% * 88.1476% (1.00  10.0 10.00   4.62 171.16) =  91.663%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.69 +/- 0.40  46.621% *  8.9252% (0.10  10.0 10.00   4.27 219.50) =   8.333%  kept
        T HG3   LYS+  38 - QE    LYS+  99   8.00 +/- 1.37   0.201% *  0.3308% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QE    LYS+ 102   9.18 +/- 1.65   0.078% *  0.6011% (0.68   1.0 10.00   0.02   1.48) =   0.001%
          QG2   THR   39 - QE    LYS+  99   5.91 +/- 0.56   0.575% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QE    LYS+  38   8.15 +/- 0.95   0.107% *  0.2378% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+  38   7.42 +/- 1.08   0.418% *  0.0154% (0.17   1.0  1.00   0.02  28.45) =   0.000%
          HG    LEU   71 - QE    LYS+  99   9.58 +/- 0.99   0.029% *  0.0874% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  12.14 +/- 2.15   0.009% *  0.2256% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  11.62 +/- 1.46   0.022% *  0.0236% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  19.18 +/- 3.56   0.001% *  0.2471% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  12.61 +/- 1.02   0.004% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  14.76 +/- 0.87   0.001% *  0.0834% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  15.40 +/- 1.36   0.001% *  0.0596% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  22.09 +/- 2.34   0.000% *  0.3624% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  17.48 +/- 1.13   0.000% *  0.0880% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  18.76 +/- 2.44   0.001% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  15.69 +/- 1.02   0.001% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  17.12 +/- 1.34   0.001% *  0.0225% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  20.00 +/- 1.30   0.000% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  20.40 +/- 1.25   0.000% *  0.0569% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  20.62 +/- 1.02   0.000% *  0.0600% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.10 +/- 1.15   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.20 +/- 1.96   0.000% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  27.15 +/- 2.47   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  21.91 +/- 2.23   0.000% *  0.0205% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  22.34 +/- 1.06   0.000% *  0.0237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  24.78 +/- 1.37   0.000% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  21.93 +/- 1.25   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  29.44 +/- 1.86   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 = 75.3:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.94 +/- 0.11  94.599% * 99.1823% (1.00  10.0 10.00   4.26  75.28) =  99.997%  kept
        T HB2   GLU- 100 - HA    LYS+  38   5.26 +/- 0.93   5.093% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PHE   97 - HA    GLU- 100  10.95 +/- 0.64   0.038% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100   9.55 +/- 0.99   0.104% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   8.80 +/- 0.59   0.150% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  26.04 +/- 1.30   0.000% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  13.19 +/- 1.07   0.013% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  24.88 +/- 1.83   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  22.66 +/- 1.18   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  26.43 +/- 1.01   0.000% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  22.90 +/- 1.13   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.45 +/- 1.80   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 = 75.3:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.64 +/- 0.26  87.859% * 99.2716% (1.00  10.0 10.00   4.26  75.28) =  99.992%  kept
        T HB3   GLU- 100 - HA    LYS+  38   4.51 +/- 1.11  12.083% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.008%
          HB2   GLN   30 - HA    GLU- 100  12.58 +/- 1.12   0.011% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  14.40 +/- 1.39   0.006% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  17.00 +/- 1.70   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.96 +/- 0.76   0.013% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  15.24 +/- 1.35   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  20.87 +/- 2.14   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.20 +/- 0.68   0.001% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  13.34 +/- 0.81   0.007% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  12.91 +/- 1.43   0.009% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  20.74 +/- 1.32   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.35 +/- 0.51   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  15.64 +/- 1.43   0.003% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  31.04 +/- 1.31   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  26.72 +/- 1.79   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  22.12 +/- 1.99   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  22.90 +/- 0.77   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  19.20 +/- 1.30   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.98 +/- 0.91   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  32.00 +/- 1.52   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.97 +/- 1.55   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 = 0.993, support = 4.66, residual support = 74.8:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.81 +/- 0.44  67.817% * 98.1135% (1.00  10.0 10.00   4.69  75.28) =  99.304%  kept
        T HG2   GLU- 100 - HA    LYS+  38   3.39 +/- 0.94  32.115% *  1.4517% (0.06   1.0 10.00   0.49   0.02) =   0.696%  kept
          HB2   MET   96 - HA    GLU- 100  12.40 +/- 0.52   0.011% *  0.0712% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.08 +/- 1.10   0.017% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  14.94 +/- 0.68   0.004% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  15.92 +/- 1.16   0.002% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.67 +/- 0.95   0.020% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.79 +/- 1.36   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.62 +/- 0.86   0.005% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  24.81 +/- 0.90   0.000% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.49 +/- 1.22   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.38 +/- 0.97   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  15.09 +/- 0.33   0.003% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  27.28 +/- 0.53   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.28 +/- 1.15   0.002% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  25.28 +/- 0.82   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.21 +/- 0.50   0.001% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  29.43 +/- 0.79   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 = 75.3:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.94 +/- 0.11  94.891% * 98.6741% (1.00  10.0 10.00   4.26  75.28) =  99.988%  kept
        T HA    LYS+  38 - HB2   GLU- 100   5.26 +/- 0.93   5.109% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.012%
        T HD2   PRO   58 - HB2   GLU- 100  27.96 +/- 1.49   0.000% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   GLU- 100  24.57 +/- 3.96   0.000% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  29.06 +/- 1.42   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 = 75.3:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 99.3690% (1.00  10.0 10.00   2.00  75.28) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  15.03 +/- 0.95   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  16.84 +/- 1.19   0.000% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  17.36 +/- 1.98   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  21.05 +/- 2.32   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  16.45 +/- 1.39   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  21.05 +/- 0.86   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.71 +/- 0.54   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  22.43 +/- 1.18   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  27.15 +/- 2.13   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  32.44 +/- 1.29   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 = 3.22, residual support = 75.3:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.96 +/- 0.07  99.961% * 99.5837% (1.00  10.0 10.00   3.22  75.28) = 100.000%  kept
          HB2   MET   96 - HB2   GLU- 100  13.93 +/- 0.77   0.010% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  12.91 +/- 1.17   0.019% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLU- 100  14.92 +/- 0.78   0.007% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  18.41 +/- 1.03   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  20.19 +/- 1.22   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  27.00 +/- 0.91   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  22.99 +/- 1.16   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  28.59 +/- 0.74   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 0.30 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.3:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.64 +/- 0.26  87.913% * 99.5406% (1.00  10.0 10.00   4.26  75.28) =  99.969%  kept
        T HA    LYS+  38 - HB3   GLU- 100   4.51 +/- 1.11  12.087% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.031%
          HA    VAL   83 - HB3   GLU- 100  24.38 +/- 3.85   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  28.04 +/- 1.51   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  29.06 +/- 1.30   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 = 75.3:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.996% * 99.6840% (1.00  10.0 10.00   2.00  75.28) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.76 +/- 0.80   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  10.84 +/- 1.21   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  25.50 +/- 2.07   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  24.38 +/- 1.12   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  27.07 +/- 1.40   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 = 3.22, residual support = 75.3:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.46 +/- 0.21  99.987% * 99.0882% (1.00  10.0 10.00   3.22  75.28) = 100.000%  kept
        T HB    VAL   70 - HB3   GLU- 100  12.92 +/- 0.97   0.006% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.00 +/- 0.60   0.004% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  15.45 +/- 0.78   0.002% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  19.91 +/- 1.12   0.000% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  17.75 +/- 1.17   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  26.70 +/- 0.92   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  22.38 +/- 1.20   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  28.76 +/- 0.62   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 0.12 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.69, residual support = 75.2:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.81 +/- 0.44  67.868% * 99.5406% (1.00  10.0 10.00   4.69  75.28) =  99.895%  kept
        T HA    LYS+  38 - HG2   GLU- 100   3.39 +/- 0.94  32.132% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.105%
          HA    VAL   83 - HG2   GLU- 100  24.63 +/- 3.96   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  27.86 +/- 1.36   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  29.04 +/- 1.12   0.000% *  0.0409% (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 = 3.22, residual support = 75.3:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.96 +/- 0.07  99.874% * 99.6840% (1.00  10.0 10.00   3.22  75.28) = 100.000%  kept
          QG    GLN   32 - HG2   GLU- 100  10.36 +/- 1.53   0.100% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLU- 100  12.20 +/- 0.98   0.025% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.68 +/- 1.99   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  24.09 +/- 1.26   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  26.78 +/- 1.24   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 0.17 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.22, residual support = 75.3:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.46 +/- 0.21  99.987% * 98.4783% (1.00  10.0 10.00   3.22  75.28) = 100.000%  kept
        T HB3   PRO   68 - HG2   GLU- 100  16.46 +/- 2.17   0.002% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HG2   GLU- 100  14.91 +/- 1.49   0.003% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   GLU- 100  13.81 +/- 1.26   0.005% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  15.43 +/- 1.50   0.003% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  21.05 +/- 1.30   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  21.51 +/- 2.21   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  22.02 +/- 0.80   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.95 +/- 0.94   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  32.34 +/- 1.49   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  28.06 +/- 1.97   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  19.76 +/- 1.83   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  99.994% * 99.5312% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101  10.30 +/- 1.69   0.004% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  13.50 +/- 3.31   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  18.85 +/- 2.93   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.12 +/- 1.71   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  22.64 +/- 1.32   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  20.09 +/- 2.63   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  29.21 +/- 1.44   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 = 159.5:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.36 +/- 0.10  97.880% * 99.0531% (1.00  10.0 10.00   6.31 159.46) =  99.999%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.65 +/- 0.37   2.022% *  0.0338% (0.34   1.0  1.00   0.02  22.40) =   0.001%
        T HB    VAL   41 - HA    LYS+ 102   7.99 +/- 1.18   0.093% *  0.4821% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  13.05 +/- 1.08   0.004% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  18.33 +/- 1.04   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.64 +/- 0.79   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.03 +/- 0.93   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  24.27 +/- 1.04   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  20.82 +/- 2.00   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.42 +/- 1.66   0.000% *  0.0153% (0.15   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 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.5:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.23 +/- 0.57  99.741% * 99.3298% (1.00  10.0 10.00   5.75 159.46) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102   9.92 +/- 0.91   0.207% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  14.93 +/- 1.06   0.014% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  18.01 +/- 2.46   0.006% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  18.28 +/- 2.18   0.005% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  19.92 +/- 1.37   0.003% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  16.59 +/- 1.21   0.008% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  20.57 +/- 1.71   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.21 +/- 1.22   0.004% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.20 +/- 0.81   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  21.09 +/- 3.22   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  19.31 +/- 1.50   0.004% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.53 +/- 1.95   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 = 1.0, support = 5.05, residual support = 159.4:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.02 +/- 0.63  80.631% * 96.7067% (1.00  10.0 10.00   5.05 159.46) =  99.991%  kept
          QB    LEU   98 - HA    LYS+ 102   4.21 +/- 0.71  16.003% *  0.0330% (0.34   1.0  1.00   0.02   1.78) =   0.007%
        T HG3   LYS+ 106 - HA    LYS+ 102   9.61 +/- 0.60   0.118% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+ 102   6.27 +/- 0.89   3.208% *  0.0269% (0.28   1.0  1.00   0.02   1.78) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 102  15.81 +/- 0.97   0.006% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 102  12.84 +/- 0.82   0.019% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  15.96 +/- 1.05   0.006% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  24.86 +/- 0.95   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  17.53 +/- 1.88   0.005% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  19.18 +/- 2.24   0.002% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.91 +/- 0.70   0.001% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.92 +/- 1.63   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  24.85 +/- 2.42   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  21.21 +/- 0.77   0.001% *  0.0149% (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 = 159.5:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.07 +/- 0.71  98.897% * 98.2489% (1.00 10.00   5.05 159.46) = 100.000%  kept
          QD    LYS+  99 - HA    LYS+ 102   7.84 +/- 0.79   0.798% *  0.0219% (0.22  1.00   0.02   1.48) =   0.000%
          QD    LYS+  38 - HA    LYS+ 102  10.83 +/- 1.00   0.107% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102  10.19 +/- 0.84   0.164% *  0.0245% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  14.56 +/- 1.54   0.015% *  0.0517% (0.53  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  23.09 +/- 1.12   0.001% *  0.5562% (0.57 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  24.71 +/- 1.69   0.001% *  0.6749% (0.69 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  16.31 +/- 1.26   0.008% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  19.82 +/- 3.65   0.004% *  0.0636% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  19.79 +/- 1.92   0.003% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.82 +/- 0.78   0.001% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.84 +/- 0.94   0.001% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.5:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.15 +/- 0.41  99.678% * 98.4155% (1.00 10.00   5.05 159.46) =  99.998%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.85 +/- 0.62   0.272% *  0.6760% (0.69 10.00   0.02   1.48) =   0.002%
        T QE    LYS+  38 - HA    LYS+ 102  11.73 +/- 0.82   0.050% *  0.9085% (0.92 10.00   0.02   0.02) =   0.000%
    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 = 159.5:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.36 +/- 0.10  99.898% * 99.1785% (1.00  10.0 10.00   6.31 159.46) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41   7.99 +/- 1.18   0.095% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  13.80 +/- 1.15   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  20.42 +/- 1.21   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  14.32 +/- 0.95   0.002% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.20 +/- 0.76   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  19.61 +/- 0.82   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  21.00 +/- 0.95   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  26.14 +/- 1.13   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  23.29 +/- 1.66   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  28.92 +/- 0.70   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  25.76 +/- 0.59   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 = 159.5:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.33 +/- 0.15  98.533% * 96.6607% (1.00  10.0 10.00   5.31 159.46) =  99.999%  kept
          HG    LEU   40 - HB    VAL   41   5.60 +/- 1.13   1.032% *  0.0348% (0.36   1.0  1.00   0.02  19.67) =   0.000%
          HG    LEU   73 - HB    VAL   41   7.21 +/- 1.31   0.324% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  10.02 +/- 1.02   0.020% *  0.4343% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+ 102   9.21 +/- 1.39   0.045% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  12.99 +/- 1.25   0.005% *  0.2983% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  16.50 +/- 2.56   0.002% *  0.6640% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  17.77 +/- 1.71   0.001% *  0.8385% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  15.75 +/- 0.96   0.001% *  0.3767% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  12.47 +/- 1.90   0.007% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  14.75 +/- 1.16   0.002% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  11.48 +/- 1.70   0.015% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  16.27 +/- 2.76   0.002% *  0.0664% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  14.24 +/- 1.31   0.003% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  14.84 +/- 0.88   0.002% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  18.64 +/- 1.54   0.000% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  15.95 +/- 3.27   0.002% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  17.52 +/- 1.98   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.62 +/- 0.92   0.000% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.60 +/- 1.19   0.001% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  15.82 +/- 1.21   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  18.43 +/- 1.77   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.17 +/- 0.89   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  20.69 +/- 2.91   0.000% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.46 +/- 1.73   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  18.38 +/- 2.25   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 = 0.833, support = 4.5, residual support = 133.8:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.40 +/- 0.18  33.239% * 81.1240% (1.00  10.0 10.00   4.75 159.46) =  80.246%  kept
        T QB    LEU   98 - HB    VAL   41   2.41 +/- 0.98  53.368% * 12.4339% (0.15   1.0 10.00   3.49  29.79) =  19.748%  kept
          HG    LEU   98 - HB    VAL   41   3.69 +/- 1.37  12.832% *  0.0101% (0.12   1.0  1.00   0.02  29.79) =   0.004%
        T HB    VAL   42 - HB    VAL   41   5.96 +/- 0.27   0.111% *  0.3573% (0.44   1.0 10.00   0.02  23.94) =   0.001%
          QB    LEU   98 - QB    LYS+ 102   5.16 +/- 0.65   0.329% *  0.0277% (0.34   1.0  1.00   0.02   1.78) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+ 102   9.00 +/- 0.59   0.011% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   9.78 +/- 1.11   0.014% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  10.04 +/- 1.67   0.005% *  0.3645% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  10.38 +/- 1.21   0.005% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   7.05 +/- 0.71   0.054% *  0.0226% (0.28   1.0  1.00   0.02   1.78) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  12.39 +/- 1.21   0.001% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB    VAL   41   8.47 +/- 1.19   0.026% *  0.0364% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  15.32 +/- 1.30   0.000% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  18.41 +/- 0.83   0.000% *  0.3573% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  22.68 +/- 1.31   0.000% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  23.27 +/- 1.44   0.000% *  0.8041% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  15.75 +/- 1.09   0.000% *  0.0809% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  23.39 +/- 1.98   0.000% *  0.3613% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  14.83 +/- 1.87   0.001% *  0.0161% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  13.87 +/- 0.74   0.001% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  18.48 +/- 2.12   0.000% *  0.0304% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  16.07 +/- 1.69   0.000% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  19.42 +/- 2.38   0.000% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.83 +/- 0.65   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.59 +/- 0.66   0.000% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  16.45 +/- 2.13   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  22.76 +/- 2.55   0.000% *  0.0492% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  20.35 +/- 0.84   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 = 159.5:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.20 +/- 0.31  98.947% * 94.6216% (1.00  10.0 10.00   4.75 159.46) =  99.999%  kept
        T QD    LYS+  38 - QB    LYS+ 102   9.42 +/- 1.64   0.029% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QB    LYS+ 102   6.23 +/- 1.53   0.822% *  0.0211% (0.22   1.0  1.00   0.02   1.48) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41   9.70 +/- 0.82   0.022% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB    VAL   41  10.71 +/- 0.66   0.011% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41   8.74 +/- 1.18   0.079% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   9.47 +/- 0.84   0.024% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.47 +/- 0.78   0.040% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  12.48 +/- 1.67   0.007% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  18.21 +/- 2.26   0.001% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  21.26 +/- 0.76   0.000% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  17.34 +/- 0.95   0.001% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  19.05 +/- 0.76   0.000% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  10.90 +/- 1.30   0.010% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  22.18 +/- 1.49   0.000% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  20.99 +/- 1.42   0.000% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  16.95 +/- 1.86   0.001% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  14.00 +/- 1.24   0.002% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  15.79 +/- 3.44   0.002% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  16.07 +/- 1.33   0.001% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  23.61 +/- 1.57   0.000% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  19.52 +/- 3.37   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.49 +/- 0.94   0.000% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  19.02 +/- 0.66   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 0.01 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.5:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.73 +/- 0.46  98.626% * 97.2926% (1.00 10.00   4.75 159.46) =  99.992%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.43 +/- 1.40   0.858% *  0.6683% (0.69 10.00   0.02   1.48) =   0.006%
        T QE    LYS+  99 - HB    VAL   41   7.83 +/- 0.46   0.295% *  0.3003% (0.31 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - QB    LYS+ 102  10.28 +/- 1.36   0.073% *  0.8981% (0.92 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HB    VAL   41   9.60 +/- 1.37   0.126% *  0.4372% (0.45 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HB    VAL   41  11.60 +/- 0.59   0.021% *  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 = 159.5:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.23 +/- 0.57  99.996% * 99.7392% (1.00  10.0 10.00   5.75 159.46) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  23.07 +/- 1.40   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.55 +/- 1.98   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  23.92 +/- 0.95   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  30.08 +/- 1.96   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  33.11 +/- 1.33   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 = 159.5:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.33 +/- 0.15  99.757% * 98.4503% (1.00  10.0 10.00   5.31 159.46) = 100.000%  kept
        T HB    VAL   41 - HG2   LYS+ 102  10.02 +/- 1.02   0.021% *  0.4792% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+ 102   7.13 +/- 0.87   0.219% *  0.0336% (0.34   1.0  1.00   0.02  22.40) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  19.22 +/- 1.52   0.000% *  0.6763% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  14.62 +/- 1.51   0.002% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.75 +/- 1.26   0.000% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.90 +/- 1.97   0.000% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  21.30 +/- 2.53   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  25.79 +/- 1.40   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  28.32 +/- 2.32   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 = 159.5:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.931% * 96.7067% (1.00  10.0 10.00   4.42 159.46) = 100.000%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.16 +/- 1.93   0.004% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 102   6.34 +/- 0.60   0.054% *  0.0330% (0.34   1.0  1.00   0.02   1.78) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.68 +/- 1.05   0.010% *  0.0269% (0.28   1.0  1.00   0.02   1.78) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  17.08 +/- 1.94   0.000% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.60 +/- 0.91   0.000% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  26.24 +/- 1.20   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  18.04 +/- 1.16   0.000% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  17.48 +/- 2.27   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  21.09 +/- 2.28   0.000% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.87 +/- 1.31   0.000% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  27.20 +/- 2.67   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  25.62 +/- 2.97   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  23.31 +/- 0.87   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 = 159.5:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.23 +/- 0.11  99.862% * 98.2489% (1.00  10.0 10.00   4.42 159.46) = 100.000%  kept
          QD    LYS+  99 - HG2   LYS+ 102   7.89 +/- 1.36   0.101% *  0.0219% (0.22   1.0  1.00   0.02   1.48) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 102  10.41 +/- 2.26   0.022% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  11.52 +/- 2.03   0.012% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  15.19 +/- 2.22   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  25.97 +/- 2.75   0.000% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  24.25 +/- 1.47   0.000% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  20.13 +/- 2.43   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  18.40 +/- 1.44   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  22.19 +/- 3.66   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.72 +/- 1.82   0.000% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.80 +/- 1.92   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 = 159.5:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.10 +/- 0.34  99.666% * 98.4155% (1.00  10.0 10.00   4.42 159.46) =  99.997%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   9.14 +/- 1.17   0.246% *  0.6760% (0.69   1.0 10.00   0.02   1.48) =   0.002%
        T QE    LYS+  38 - HG2   LYS+ 102  11.33 +/- 2.15   0.088% *  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 = 159.5:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.02 +/- 0.63  99.651% * 97.9004% (1.00  10.0 10.00   5.05 159.46) = 100.000%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.61 +/- 0.60   0.175% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  15.81 +/- 0.97   0.009% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  11.68 +/- 1.35   0.053% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  11.75 +/- 0.56   0.049% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  24.86 +/- 0.95   0.001% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  13.77 +/- 1.31   0.021% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  17.65 +/- 1.31   0.005% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  13.38 +/- 0.97   0.022% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  21.74 +/- 1.10   0.001% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.31 +/- 1.89   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  20.18 +/- 1.94   0.002% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  23.02 +/- 1.68   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.89 +/- 1.26   0.001% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.56 +/- 1.36   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  20.74 +/- 1.29   0.002% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  23.90 +/- 1.18   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  20.01 +/- 1.13   0.002% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  29.84 +/- 2.02   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  24.33 +/- 0.88   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  27.81 +/- 0.78   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  32.89 +/- 1.29   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  29.21 +/- 1.11   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  27.93 +/- 2.23   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.893, support = 5.23, residual support = 162.3:
      O   QB    LYS+  65 - HG3   LYS+  65   2.25 +/- 0.09  58.031% * 43.4551% (0.80  10.0  1.00   5.67 164.86) =  52.905%  kept
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.40 +/- 0.18  41.207% * 54.4770% (1.00  10.0 10.00   4.75 159.46) =  47.095%  kept
        T HB    VAL   41 - HG3   LYS+ 102  10.04 +/- 1.67   0.013% *  0.2652% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  65   6.68 +/- 0.18   0.086% *  0.0305% (0.56   1.0  1.00   0.02  25.68) =   0.000%
          HB3   GLN   17 - HG3   LYS+  65   8.45 +/- 1.94   0.118% *  0.0216% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   6.87 +/- 0.93   0.136% *  0.0186% (0.34   1.0  1.00   0.02  22.40) =   0.000%
          HB2   LEU   71 - HG3   LYS+  33   7.31 +/- 1.12   0.073% *  0.0261% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   9.78 +/- 1.11   0.012% *  0.1317% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.00 +/- 0.59   0.016% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.05 +/- 0.83   0.287% *  0.0034% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  10.38 +/- 1.21   0.008% *  0.0483% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  15.32 +/- 1.30   0.001% *  0.2706% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  14.78 +/- 1.53   0.001% *  0.0526% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  18.41 +/- 0.83   0.000% *  0.2158% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  14.54 +/- 1.10   0.001% *  0.0428% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  22.68 +/- 1.31   0.000% *  0.4433% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  14.25 +/- 1.02   0.001% *  0.0132% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.70 +/- 0.77   0.001% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  17.74 +/- 1.19   0.000% *  0.0409% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  14.39 +/- 1.15   0.001% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  14.11 +/- 1.36   0.001% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  18.03 +/- 1.15   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  19.39 +/- 1.34   0.000% *  0.0374% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  17.28 +/- 1.37   0.000% *  0.0186% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  15.03 +/- 1.41   0.001% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  15.74 +/- 0.59   0.001% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.89 +/- 1.13   0.000% *  0.0534% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.70 +/- 1.90   0.000% *  0.0503% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  18.06 +/- 1.10   0.000% *  0.0097% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.87 +/- 2.09   0.000% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  22.29 +/- 1.12   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  21.48 +/- 2.48   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.35 +/- 1.01   0.000% *  0.0250% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  25.94 +/- 1.53   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  15.99 +/- 1.37   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.98 +/- 2.03   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.94 +/- 1.17   0.000% *  0.0048% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.37 +/- 3.27   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.07 +/- 2.05   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  28.98 +/- 1.37   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 = 159.5:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  97.190% * 96.9231% (1.00  10.0 10.00   4.42 159.46) =  99.999%  kept
          QB    ALA   61 - HG3   LYS+  65   3.86 +/- 0.87   2.703% *  0.0415% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HG3   LYS+  65   6.23 +/- 0.72   0.059% *  0.0684% (0.71   1.0  1.00   0.02  25.68) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.16 +/- 1.93   0.004% *  0.1766% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   8.64 +/- 0.88   0.009% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   9.35 +/- 0.92   0.005% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   9.55 +/- 1.14   0.005% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  11.37 +/- 1.21   0.002% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   8.72 +/- 1.08   0.009% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  17.08 +/- 1.94   0.000% *  0.4815% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.15 +/- 1.28   0.001% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  10.51 +/- 0.94   0.002% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  14.57 +/- 1.41   0.000% *  0.0773% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.69 +/- 1.95   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  12.72 +/- 1.42   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  12.13 +/- 1.64   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  15.57 +/- 1.16   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.31 +/- 2.83   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  16.96 +/- 1.21   0.000% *  0.0950% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.70 +/- 1.69   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.30 +/- 1.97   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  14.18 +/- 0.85   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  26.24 +/- 1.20   0.000% *  0.7888% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.94 +/- 1.04   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.70 +/- 1.40   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  11.60 +/- 0.98   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  19.28 +/- 2.64   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  16.42 +/- 2.38   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  19.55 +/- 2.32   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  17.02 +/- 1.83   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  20.96 +/- 1.66   0.000% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.20 +/- 1.93   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  16.38 +/- 2.93   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  16.96 +/- 1.01   0.000% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  16.20 +/- 1.65   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  18.84 +/- 1.23   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  17.50 +/- 3.75   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  16.57 +/- 2.50   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.93 +/- 2.36   0.000% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.41 +/- 2.28   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  15.89 +/- 0.66   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  21.61 +/- 0.76   0.000% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  21.11 +/- 2.08   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  23.18 +/- 3.70   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  22.87 +/- 2.46   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  19.39 +/- 3.42   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  23.01 +/- 1.94   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  24.66 +/- 1.89   0.000% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  21.71 +/- 1.82   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.27 +/- 1.06   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.40 +/- 1.45   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  25.33 +/- 2.08   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 = 0.805, support = 4.11, residual support = 160.1:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.48 +/- 0.11  30.978% * 63.6907% (1.00  10.0 10.00   4.00 159.46) =  66.883%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.49 +/- 0.11  29.397% * 29.3443% (0.46  10.0 10.00   4.29 164.86) =  29.242%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.38 +/- 0.17  39.500% *  2.8935% (0.05  10.0  1.00   4.63 135.68) =   3.874%  kept
        T QD    LYS+ 102 - HG3   LYS+ 106   9.89 +/- 1.59   0.015% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33   9.74 +/- 1.07   0.010% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   8.26 +/- 1.41   0.048% *  0.0142% (0.22   1.0  1.00   0.02   1.48) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102  10.84 +/- 2.05   0.009% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  14.75 +/- 1.34   0.001% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  16.14 +/- 1.50   0.000% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.94 +/- 1.36   0.006% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  11.28 +/- 1.98   0.008% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106   9.12 +/- 0.99   0.015% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  18.38 +/- 1.46   0.000% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  15.43 +/- 1.82   0.001% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  18.23 +/- 1.78   0.000% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  15.47 +/- 1.45   0.001% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  15.46 +/- 1.22   0.001% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  15.28 +/- 2.09   0.001% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.44 +/- 1.84   0.000% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  24.34 +/- 1.15   0.000% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  25.78 +/- 2.58   0.000% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.38 +/- 1.33   0.000% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  17.55 +/- 1.20   0.000% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.98 +/- 0.59   0.004% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  13.61 +/- 1.37   0.001% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  17.07 +/- 1.53   0.000% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.71 +/- 1.22   0.000% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.67 +/- 0.96   0.001% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  20.30 +/- 2.44   0.000% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  13.79 +/- 0.64   0.001% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  15.36 +/- 1.39   0.001% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  21.88 +/- 4.07   0.000% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  18.91 +/- 3.70   0.000% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  17.69 +/- 3.75   0.000% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  21.71 +/- 0.93   0.000% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  17.15 +/- 0.93   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  21.10 +/- 1.10   0.000% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  18.30 +/- 1.07   0.000% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.53 +/- 1.85   0.000% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.34 +/- 1.37   0.000% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.53 +/- 1.94   0.000% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  24.27 +/- 3.10   0.000% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  31.68 +/- 1.27   0.000% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  24.30 +/- 1.92   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.26 +/- 1.36   0.000% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  21.85 +/- 1.55   0.000% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.49 +/- 1.11   0.000% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.03 +/- 0.99   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 = 159.5:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.25 +/- 0.26  99.885% * 94.7812% (1.00  10.0 10.00   4.00 159.46) =  99.999%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.44 +/- 1.23   0.042% *  0.6511% (0.69   1.0 10.00   0.02   1.48) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 102  11.71 +/- 1.93   0.011% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.65 +/- 1.63   0.032% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  11.08 +/- 1.18   0.012% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  12.59 +/- 1.34   0.005% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  11.11 +/- 0.84   0.011% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  16.08 +/- 1.44   0.001% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  16.46 +/- 1.14   0.001% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  22.53 +/- 1.65   0.000% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  18.18 +/- 0.78   0.000% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  24.45 +/- 0.88   0.000% *  0.7713% (0.81   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 = 159.5:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.07 +/- 0.71  97.067% * 99.0980% (1.00 10.00   5.05 159.46) = 100.000%  kept
          HA1   GLY  109 - HD2   LYS+ 111   6.59 +/- 1.43   2.857% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - QD    LYS+  65  23.09 +/- 1.12   0.001% *  0.2505% (0.25 10.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  13.03 +/- 1.63   0.039% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  16.48 +/- 1.61   0.008% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  24.71 +/- 1.69   0.001% *  0.2591% (0.26 10.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.89 +/- 1.87   0.003% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  21.07 +/- 1.25   0.001% *  0.0828% (0.84  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.22 +/- 2.20   0.009% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  18.97 +/- 2.23   0.005% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  20.22 +/- 2.13   0.002% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  20.27 +/- 1.41   0.002% *  0.0162% (0.16  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  20.65 +/- 1.50   0.002% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.93 +/- 0.95   0.001% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  26.86 +/- 1.78   0.000% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  29.58 +/- 1.42   0.000% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  28.03 +/- 1.00   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  25.70 +/- 1.28   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 = 0.825, support = 4.84, residual support = 160.7:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.20 +/- 0.31  44.690% * 77.3438% (1.00  10.0 10.00   4.75 159.46) =  76.725%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.09 +/- 0.10  54.721% * 19.1619% (0.25  10.0 10.00   5.15 164.86) =  23.275%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.33 +/- 0.95   0.183% *  0.0264% (0.34   1.0  1.00   0.02  22.40) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   7.65 +/- 2.09   0.304% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102   9.70 +/- 0.82   0.007% *  0.3765% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.76 +/- 1.35   0.011% *  0.1867% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.50 +/- 0.29   0.063% *  0.0134% (0.17   1.0  1.00   0.02  25.68) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.04 +/- 1.34   0.001% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  10.66 +/- 2.92   0.016% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.35 +/- 1.94   0.000% *  0.7140% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.94 +/- 1.72   0.000% *  0.1805% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  21.15 +/- 1.16   0.000% *  0.7581% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  12.97 +/- 1.45   0.001% *  0.0302% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.34 +/- 0.95   0.000% *  0.0952% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.59 +/- 1.30   0.000% *  0.1982% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.70 +/- 1.24   0.001% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.99 +/- 1.42   0.000% *  0.1955% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  19.84 +/- 1.91   0.000% *  0.1193% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.18 +/- 1.49   0.000% *  0.2022% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.05 +/- 1.40   0.000% *  0.0531% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.75 +/- 1.40   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.61 +/- 1.57   0.000% *  0.0984% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.18 +/- 1.74   0.000% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  24.00 +/- 1.19   0.000% *  0.0376% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  18.70 +/- 2.39   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.99 +/- 1.43   0.000% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.91 +/- 1.09   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.28 +/- 1.44   0.000% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.25 +/- 1.99   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  28.19 +/- 1.91   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 = 159.5:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.23 +/- 0.11  85.691% * 98.4875% (1.00  10.0 10.00   4.42 159.46) =  99.998%  kept
          QB    ALA   61 - QD    LYS+  65   4.27 +/- 1.27   9.820% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  110 - HD2   LYS+ 111   5.76 +/- 1.24   3.999% *  0.0079% (0.08   1.0  1.00   0.02   9.12) =   0.000%
          QG    LYS+  66 - QD    LYS+  65   5.82 +/- 0.59   0.330% *  0.0216% (0.22   1.0  1.00   0.02  25.68) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.49 +/- 0.93   0.040% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  11.07 +/- 1.16   0.009% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.98 +/- 0.91   0.028% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   9.08 +/- 1.11   0.028% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.09 +/- 1.18   0.029% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  15.80 +/- 1.28   0.001% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  13.90 +/- 1.35   0.002% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  18.11 +/- 2.74   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  11.85 +/- 1.60   0.007% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  18.35 +/- 2.59   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  14.09 +/- 1.40   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  14.72 +/- 1.18   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.27 +/- 0.69   0.004% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  19.43 +/- 1.66   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  15.63 +/- 1.41   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.91 +/- 1.95   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.11 +/- 1.08   0.003% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  24.25 +/- 1.47   0.000% *  0.2489% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.26 +/- 2.20   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.66 +/- 1.67   0.002% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  25.97 +/- 2.75   0.000% *  0.2575% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  19.83 +/- 0.97   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  16.08 +/- 1.31   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  18.12 +/- 1.75   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.58 +/- 1.81   0.001% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  20.87 +/- 2.91   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  19.61 +/- 1.37   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.75 +/- 2.01   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  22.20 +/- 1.55   0.000% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  22.90 +/- 3.32   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  24.27 +/- 1.51   0.000% *  0.0252% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  23.58 +/- 2.46   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  21.51 +/- 1.92   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  26.05 +/- 2.30   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  27.53 +/- 1.70   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 = 0.855, support = 4.06, residual support = 160.5:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.48 +/- 0.11  50.518% * 76.0877% (1.00  10.0 10.00   4.00 159.46) =  80.665%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.49 +/- 0.11  48.874% * 18.8507% (0.25  10.0 10.00   4.29 164.86) =  19.334%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.89 +/- 1.59   0.026% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+ 102   6.20 +/- 0.71   0.271% *  0.0260% (0.34   1.0  1.00   0.02   1.78) =   0.000%
          HB2   LYS+ 112 - HD2   LYS+ 111   6.37 +/- 0.74   0.218% *  0.0197% (0.26   1.0  1.00   0.02  28.08) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.26 +/- 1.08   0.060% *  0.0212% (0.28   1.0  1.00   0.02   1.78) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  11.38 +/- 1.32   0.008% *  0.0818% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  16.14 +/- 1.50   0.001% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  16.68 +/- 1.19   0.001% *  0.7592% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  15.43 +/- 1.82   0.001% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  13.88 +/- 0.81   0.002% *  0.0746% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.27 +/- 1.01   0.004% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  18.23 +/- 1.78   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  24.34 +/- 1.15   0.000% *  0.7458% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  19.71 +/- 1.22   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  14.00 +/- 1.40   0.002% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.44 +/- 1.84   0.000% *  0.1950% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  14.92 +/- 2.09   0.001% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  16.96 +/- 2.06   0.001% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  23.62 +/- 1.38   0.000% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  12.37 +/- 1.60   0.004% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.93 +/- 1.45   0.003% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  18.57 +/- 2.32   0.000% *  0.0286% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.38 +/- 1.33   0.000% *  0.1923% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  16.46 +/- 1.87   0.001% *  0.0151% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  25.78 +/- 2.58   0.000% *  0.1989% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.42 +/- 1.56   0.001% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.51 +/- 1.35   0.000% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  24.47 +/- 2.12   0.000% *  0.0754% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  23.79 +/- 2.40   0.000% *  0.0461% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  17.03 +/- 0.96   0.001% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  21.22 +/- 1.45   0.000% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.35 +/- 1.53   0.000% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  31.68 +/- 1.27   0.000% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.55 +/- 1.28   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.58 +/- 1.19   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  21.32 +/- 0.94   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  20.46 +/- 1.50   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.81 +/- 1.18   0.000% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.50 +/- 1.82   0.000% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  23.11 +/- 1.38   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  33.58 +/- 2.41   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 = 159.5:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.12 +/- 0.02  99.967% * 97.1326% (1.00  10.0 10.00   4.00 159.46) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   9.30 +/- 1.27   0.022% *  0.6672% (0.69   1.0 10.00   0.02   1.48) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102  11.09 +/- 2.00   0.010% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  15.25 +/- 1.30   0.001% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  20.48 +/- 1.38   0.000% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  22.84 +/- 2.18   0.000% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  22.59 +/- 1.07   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.91 +/- 1.81   0.000% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  30.28 +/- 1.63   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 = 159.5:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.15 +/- 0.41  99.660% * 98.6090% (1.00 10.00   5.05 159.46) =  99.998%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.85 +/- 0.62   0.272% *  0.6725% (0.68 10.00   0.02   1.48) =   0.002%
        T HA    LYS+ 102 - QE    LYS+  38  11.73 +/- 0.82   0.050% *  0.2257% (0.23 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  18.62 +/- 0.57   0.003% *  0.0562% (0.57  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.51 +/- 1.83   0.003% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  20.71 +/- 1.39   0.002% *  0.0824% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.03 +/- 0.78   0.002% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  18.10 +/- 0.60   0.003% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  20.56 +/- 0.68   0.002% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  21.66 +/- 1.01   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  26.37 +/- 1.87   0.000% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  25.37 +/- 1.47   0.000% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  29.07 +/- 1.40   0.000% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  27.99 +/- 0.68   0.000% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  21.34 +/- 0.94   0.001% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  27.68 +/- 0.76   0.000% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  31.79 +/- 1.32   0.000% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  33.85 +/- 0.81   0.000% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 4.74, residual support = 159.2:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.73 +/- 0.46  96.327% * 91.3228% (1.00 10.00   4.75 159.46) =  99.856%  kept
          HG12  ILE  103 - QE    LYS+ 102   5.94 +/- 0.84   1.933% *  6.2084% (0.34  1.00   3.99  22.40) =   0.136%
        T QB    LYS+ 102 - QE    LYS+  99   7.43 +/- 1.40   0.839% *  0.6228% (0.68 10.00   0.02   1.48) =   0.006%
        T HB    VAL   41 - QE    LYS+  99   7.83 +/- 0.46   0.287% *  0.3032% (0.33 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QE    LYS+ 102   9.60 +/- 1.37   0.123% *  0.4445% (0.49 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QE    LYS+  38  10.28 +/- 1.36   0.071% *  0.2090% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  99   8.46 +/- 0.59   0.176% *  0.0601% (0.66  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  10.39 +/- 1.06   0.058% *  0.0428% (0.47  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  11.60 +/- 0.59   0.021% *  0.1018% (0.11 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.61 +/- 0.60   0.077% *  0.0212% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  14.08 +/- 1.27   0.010% *  0.0881% (0.97  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  13.80 +/- 1.04   0.009% *  0.0610% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  11.76 +/- 1.03   0.024% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  12.52 +/- 2.30   0.025% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  18.32 +/- 1.07   0.002% *  0.0627% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.69 +/- 1.36   0.003% *  0.0303% (0.33  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  20.97 +/- 1.72   0.001% *  0.0843% (0.92  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  21.31 +/- 0.91   0.001% *  0.0895% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  19.94 +/- 0.86   0.001% *  0.0575% (0.63  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.35 +/- 0.67   0.006% *  0.0071% (0.08  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  16.90 +/- 1.58   0.003% *  0.0144% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  19.52 +/- 1.34   0.001% *  0.0205% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  24.04 +/- 1.21   0.000% *  0.0445% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  19.95 +/- 1.49   0.001% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  20.24 +/- 2.16   0.001% *  0.0141% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  24.81 +/- 2.06   0.000% *  0.0141% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  23.76 +/- 1.51   0.000% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  21.01 +/- 3.00   0.001% *  0.0032% (0.04  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  27.30 +/- 0.81   0.000% *  0.0193% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  31.05 +/- 1.44   0.000% *  0.0032% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.997, support = 4.4, residual support = 158.4:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.10 +/- 0.34  78.488% * 95.3931% (1.00  10.0 10.00   4.42 159.46) =  99.309%  kept
          HG    LEU   40 - QE    LYS+  99   4.24 +/- 0.70  20.290% *  2.5602% (0.55   1.0  1.00   0.98  12.50) =   0.689%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   9.14 +/- 1.17   0.180% *  0.6506% (0.68   1.0 10.00   0.02   1.48) =   0.002%
          HB3   LEU   67 - QE    LYS+  99   9.25 +/- 2.57   0.463% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QE    LYS+  38  11.33 +/- 2.15   0.070% *  0.2184% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  99   9.76 +/- 2.37   0.185% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  11.27 +/- 1.04   0.042% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  11.86 +/- 1.42   0.041% *  0.0564% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  99  12.18 +/- 1.14   0.025% *  0.0638% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  10.97 +/- 1.61   0.070% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  11.26 +/- 1.20   0.054% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  15.60 +/- 1.08   0.006% *  0.0935% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  14.50 +/- 0.83   0.008% *  0.0342% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  16.37 +/- 2.15   0.005% *  0.0521% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.10 +/- 1.34   0.011% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  15.88 +/- 1.69   0.006% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  18.42 +/- 2.33   0.002% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  15.46 +/- 1.14   0.006% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  18.65 +/- 2.12   0.002% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  19.81 +/- 2.06   0.002% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  19.69 +/- 1.32   0.001% *  0.0827% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  15.25 +/- 1.39   0.007% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  18.01 +/- 2.09   0.003% *  0.0294% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  15.92 +/- 1.75   0.006% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  19.82 +/- 0.64   0.001% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  16.82 +/- 2.12   0.004% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.44 +/- 1.12   0.003% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  20.22 +/- 3.34   0.002% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  18.40 +/- 1.66   0.002% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  19.54 +/- 1.55   0.002% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.72 +/- 2.19   0.001% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  16.43 +/- 1.35   0.005% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  21.53 +/- 2.81   0.001% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  18.35 +/- 2.03   0.003% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  19.91 +/- 1.29   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  24.74 +/- 1.84   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  24.16 +/- 3.08   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  23.83 +/- 1.19   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  25.23 +/- 2.13   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 0.09 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.5:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.25 +/- 0.26  98.921% * 93.0940% (1.00  10.0 10.00   4.00 159.46) =  99.999%  kept
        T HG3   LYS+ 106 - QE    LYS+ 102   9.65 +/- 1.63   0.031% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  99   9.44 +/- 1.23   0.041% *  0.6349% (0.68   1.0 10.00   0.02   1.48) =   0.000%
          QB    LEU   98 - QE    LYS+ 102   6.12 +/- 0.70   0.392% *  0.0318% (0.34   1.0  1.00   0.02   1.78) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  11.11 +/- 0.84   0.011% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.64 +/- 0.27   0.215% *  0.0217% (0.23   1.0  1.00   0.02  17.41) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.42 +/- 0.50   0.059% *  0.0622% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  12.59 +/- 1.34   0.005% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   7.98 +/- 1.12   0.096% *  0.0259% (0.28   1.0  1.00   0.02   1.78) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  11.08 +/- 1.18   0.011% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  11.71 +/- 1.93   0.010% *  0.2131% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99   9.39 +/- 2.11   0.113% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  16.08 +/- 1.44   0.001% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  99   8.32 +/- 0.61   0.054% *  0.0177% (0.19   1.0  1.00   0.02  17.41) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  16.46 +/- 1.14   0.001% *  0.6223% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  13.87 +/- 0.92   0.003% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  13.63 +/- 0.78   0.003% *  0.0633% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.31 +/- 0.47   0.014% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  16.41 +/- 1.14   0.001% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  18.18 +/- 0.78   0.000% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  24.45 +/- 0.88   0.000% *  0.9125% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  14.16 +/- 1.09   0.002% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  22.53 +/- 1.65   0.000% *  0.2089% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  13.10 +/- 1.27   0.004% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  17.84 +/- 2.20   0.001% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  17.95 +/- 2.59   0.001% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  16.50 +/- 2.80   0.001% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  16.95 +/- 2.03   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  17.11 +/- 1.09   0.001% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.16 +/- 2.26   0.000% *  0.0629% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  15.34 +/- 2.89   0.003% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.59 +/- 0.64   0.000% *  0.0261% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.14 +/- 1.32   0.000% *  0.0383% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  24.36 +/- 2.19   0.000% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  19.95 +/- 1.40   0.000% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  23.96 +/- 2.46   0.000% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  17.60 +/- 0.63   0.001% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  21.02 +/- 0.95   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  23.42 +/- 1.69   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  29.72 +/- 2.15   0.000% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  21.74 +/- 0.98   0.000% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  25.76 +/- 0.88   0.000% *  0.0088% (0.09   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 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.778, support = 3.96, residual support = 169.7:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.12 +/- 0.02  31.477% * 72.2175% (1.00  10.0 10.00   4.00 159.46) =  73.282%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.08 +/- 0.03  34.571% * 13.2369% (0.18  10.0  1.00   3.74 219.50) =  14.752%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  33.853% * 10.9650% (0.15  10.0 10.00   4.00 171.16) =  11.966%  kept
        T QD    LYS+ 102 - QE    LYS+  99   9.30 +/- 1.27   0.007% *  0.4925% (0.68   1.0 10.00   0.02   1.48) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.71 +/- 1.34   0.012% *  0.1608% (0.22   1.0 10.00   0.02   1.48) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.73 +/- 1.85   0.009% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+  99   6.92 +/- 0.73   0.034% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   7.81 +/- 0.96   0.017% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  11.09 +/- 2.00   0.003% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  10.89 +/- 1.96   0.004% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99   9.40 +/- 1.94   0.007% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.67 +/- 0.70   0.001% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  11.61 +/- 2.23   0.003% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  15.25 +/- 1.30   0.000% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  14.40 +/- 1.95   0.000% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  22.84 +/- 2.18   0.000% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.91 +/- 1.81   0.000% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  22.59 +/- 1.07   0.000% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.75 +/- 0.73   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  18.84 +/- 3.77   0.000% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  19.23 +/- 2.10   0.000% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.74 +/- 1.08   0.000% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  20.48 +/- 1.38   0.000% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.96 +/- 0.83   0.000% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.71 +/- 1.72   0.000% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  20.53 +/- 1.87   0.000% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.53 +/- 0.94   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  21.35 +/- 2.97   0.000% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  20.16 +/- 2.92   0.000% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  18.34 +/- 2.17   0.000% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.24 +/- 0.83   0.000% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.01 +/- 0.96   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  30.28 +/- 1.63   0.000% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  24.41 +/- 3.27   0.000% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  27.79 +/- 0.88   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  28.08 +/- 0.69   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 = 0.683, support = 5.79, residual support = 138.2:
    * O T HB    ILE  103 - HA    ILE  103   2.93 +/- 0.05  22.778% * 82.5223% (1.00  10.0 10.00   5.66 138.16) =  60.427%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.38 +/- 0.21  75.376% * 16.3310% (0.20  10.0 10.00   5.98 138.16) =  39.572%  kept
          QB    LYS+ 106 - HA    ILE  103   6.25 +/- 0.42   0.256% *  0.0661% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ILE  103   7.12 +/- 0.55   0.120% *  0.0818% (0.99   1.0  1.00   0.02   3.18) =   0.000%
          HB3   LYS+  38 - HA    THR   39   4.70 +/- 0.21   1.381% *  0.0068% (0.08   1.0  1.00   0.02  28.45) =   0.000%
          QB    LYS+  33 - HA    THR   39   8.11 +/- 0.74   0.063% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  14.73 +/- 0.52   0.001% *  0.2726% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  10.88 +/- 1.20   0.010% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  14.40 +/- 0.51   0.002% *  0.0781% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  13.06 +/- 0.64   0.003% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  17.37 +/- 2.09   0.001% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  14.08 +/- 0.87   0.002% *  0.0270% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.12 +/- 0.78   0.001% *  0.0218% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  17.47 +/- 1.82   0.001% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  17.71 +/- 3.00   0.001% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.23 +/- 0.63   0.003% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  18.91 +/- 0.93   0.000% *  0.0310% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  22.00 +/- 2.03   0.000% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  23.12 +/- 1.35   0.000% *  0.0740% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.29 +/- 1.11   0.000% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  22.53 +/- 1.70   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  26.01 +/- 1.23   0.000% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  23.13 +/- 1.43   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  28.24 +/- 1.59   0.000% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  30.39 +/- 1.08   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  28.39 +/- 1.24   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 = 0.94, support = 5.33, residual support = 138.2:
    * O T QG2   ILE  103 - HA    ILE  103   2.76 +/- 0.12  74.856% * 68.5552% (1.00  10.0 10.00   5.38 138.16) =  89.038%  kept
        T QD1   ILE  103 - HA    ILE  103   3.52 +/- 0.40  20.550% * 30.7355% (0.45   1.0 10.00   4.91 138.16) =  10.959%  kept
          QD2   LEU   40 - HA    ILE  103   5.20 +/- 0.50   2.078% *  0.0662% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    THR   39   5.78 +/- 0.29   0.963% *  0.0219% (0.32   1.0  1.00   0.02  23.59) =   0.000%
          QD2   LEU   71 - HA    THR   39   5.71 +/- 0.74   1.364% *  0.0128% (0.19   1.0  1.00   0.02   0.23) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.89 +/- 1.50   0.118% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.56 +/- 0.48   0.009% *  0.2265% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  12.25 +/- 2.63   0.026% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.76 +/- 0.84   0.008% *  0.1015% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.25 +/- 0.88   0.011% *  0.0388% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.52 +/- 1.43   0.007% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  15.11 +/- 1.05   0.003% *  0.0282% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.09 +/- 0.58   0.001% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  14.46 +/- 1.94   0.005% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.86 +/- 0.91   0.001% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  18.05 +/- 0.61   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 = 0.589, support = 5.15, residual support = 138.2:
    *   T QD1   ILE  103 - HA    ILE  103   3.52 +/- 0.40  20.551% * 78.2519% (0.92   1.0 10.00   4.91 138.16) =  50.403%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.76 +/- 0.12  74.859% * 21.1374% (0.25  10.0 10.00   5.38 138.16) =  49.594%  kept
          QD2   LEU   71 - HA    THR   39   5.71 +/- 0.74   1.364% *  0.0234% (0.28   1.0  1.00   0.02   0.23) =   0.001%
          QD2   LEU   40 - HA    ILE  103   5.20 +/- 0.50   2.078% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    THR   39   5.78 +/- 0.29   0.963% *  0.0043% (0.05   1.0  1.00   0.02  23.59) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.76 +/- 0.84   0.008% *  0.2585% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.25 +/- 0.88   0.011% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.56 +/- 0.48   0.009% *  0.0698% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.89 +/- 1.50   0.118% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.52 +/- 1.43   0.007% *  0.0846% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  12.25 +/- 2.63   0.026% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  14.46 +/- 1.94   0.005% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.09 +/- 0.58   0.001% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.86 +/- 0.91   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 = 138.2:
    * O T HA    ILE  103 - HB    ILE  103   2.93 +/- 0.05  99.974% * 98.6567% (1.00  10.0 10.00   5.66 138.16) = 100.000%  kept
        T HA    THR   39 - HB    ILE  103  14.73 +/- 0.52   0.006% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    ILE  103  13.53 +/- 0.79   0.011% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  20.70 +/- 3.47   0.001% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  18.14 +/- 4.59   0.005% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  20.54 +/- 1.94   0.001% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  24.86 +/- 1.92   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.50 +/- 1.13   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  27.16 +/- 0.90   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  34.11 +/- 3.22   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  27.39 +/- 1.28   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  31.91 +/- 2.71   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 = 0.876, support = 4.93, residual support = 138.2:
    * O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  60.607% * 68.8462% (1.00  10.0 10.00   4.99 138.16) =  77.450%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.33 +/- 0.31  39.359% * 30.8659% (0.45  10.0 10.00   4.73 138.16) =  22.550%  kept
          QD2   LEU   40 - HB    ILE  103   7.62 +/- 0.51   0.031% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.45 +/- 2.68   0.001% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.42 +/- 0.94   0.001% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.13 +/- 1.30   0.001% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  16.13 +/- 1.17   0.000% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.77 +/- 0.70   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 = 0.725, support = 4.8, residual support = 138.2:
    * O T QD1   ILE  103 - HB    ILE  103   2.33 +/- 0.31  39.359% * 78.5650% (0.92  10.0 10.00   4.73 138.16) =  70.624%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  60.607% * 21.2220% (0.25  10.0 10.00   4.99 138.16) =  29.376%  kept
          QD2   LEU   40 - HB    ILE  103   7.62 +/- 0.51   0.031% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.42 +/- 0.94   0.001% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.13 +/- 1.30   0.001% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.45 +/- 2.68   0.001% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.77 +/- 0.70   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 = 5.38, residual support = 138.2:
    * O T HA    ILE  103 - QG2   ILE  103   2.76 +/- 0.12  99.934% * 98.6567% (1.00  10.0 10.00   5.38 138.16) = 100.000%  kept
        T HA    THR   39 - QG2   ILE  103  12.56 +/- 0.48   0.012% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   ILE  103  10.36 +/- 0.66   0.038% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  17.18 +/- 2.71   0.003% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  16.62 +/- 1.60   0.002% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  15.45 +/- 3.60   0.007% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.56 +/- 0.95   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  20.65 +/- 1.61   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  21.34 +/- 0.75   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  28.72 +/- 2.58   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  22.73 +/- 1.13   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  26.75 +/- 2.22   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.986, support = 4.99, residual support = 138.1:
    * O T HB    ILE  103 - QG2   ILE  103   2.13 +/- 0.01  84.349% * 82.9317% (1.00  10.0 10.00   4.99 138.16) =  98.233%  kept
      O T HG12  ILE  103 - QG2   ILE  103   3.18 +/- 0.08   7.635% * 16.4121% (0.20  10.0 10.00   5.31 138.16) =   1.760%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.75 +/- 0.77   7.645% *  0.0664% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          HB3   ASP- 105 - QG2   ILE  103   5.33 +/- 0.43   0.367% *  0.0822% (0.99   1.0  1.00   0.02   3.18) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.26 +/- 0.44   0.001% *  0.0785% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  15.94 +/- 1.90   0.001% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  14.58 +/- 1.36   0.001% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.49 +/- 0.51   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  15.03 +/- 0.83   0.001% *  0.0311% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  18.17 +/- 1.24   0.000% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  18.25 +/- 1.91   0.000% *  0.0693% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.60 +/- 1.53   0.000% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.60 +/- 1.08   0.000% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.91, residual support = 138.2:
    *   T HA    ILE  103 - QD1   ILE  103   3.52 +/- 0.40  99.391% * 98.6567% (0.92 10.00   4.91 138.16) =  99.999%  kept
        T HA    THR   39 - QD1   ILE  103  12.76 +/- 0.84   0.047% *  0.7164% (0.67 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QD1   ILE  103   9.61 +/- 1.02   0.318% *  0.0933% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103  13.16 +/- 3.76   0.159% *  0.0274% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  15.17 +/- 2.82   0.038% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  14.98 +/- 1.64   0.024% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  18.65 +/- 1.68   0.006% *  0.0790% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  16.59 +/- 1.32   0.011% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  20.87 +/- 0.94   0.003% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  28.16 +/- 2.71   0.001% *  0.0911% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  22.31 +/- 1.17   0.002% *  0.0220% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  26.24 +/- 2.28   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 = 0.759, support = 4.7, residual support = 138.2:
    * O T HB    ILE  103 - QD1   ILE  103   2.33 +/- 0.31  39.406% * 82.9317% (0.92  10.0 10.00   4.73 138.16) =  77.827%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.01  56.714% * 16.4121% (0.18  10.0 10.00   4.62 138.16) =  22.167%  kept
          QB    LYS+ 106 - QD1   ILE  103   4.36 +/- 1.06   3.811% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.006%
          HB3   ASP- 105 - QD1   ILE  103   7.46 +/- 1.07   0.064% *  0.0822% (0.91   1.0  1.00   0.02   3.18) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  13.17 +/- 0.73   0.001% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  17.10 +/- 1.94   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  16.37 +/- 1.99   0.000% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  16.73 +/- 1.45   0.000% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.68 +/- 0.81   0.001% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  15.32 +/- 1.46   0.001% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  16.58 +/- 1.69   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  17.43 +/- 1.54   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.24 +/- 1.47   0.000% *  0.0827% (0.92   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 = 217.7:
    * O T HB2   LEU  104 - HA    LEU  104   3.01 +/- 0.03  99.899% * 99.7433% (0.87  10.0 10.00   5.98 217.72) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  10.50 +/- 0.47   0.058% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  12.39 +/- 2.07   0.034% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  14.71 +/- 1.53   0.009% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  21.30 +/- 1.60   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 = 217.7:
    * O T HB3   LEU  104 - HA    LEU  104   2.48 +/- 0.09  99.951% * 99.4463% (0.76  10.0 10.00   5.31 217.72) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104   9.97 +/- 0.90   0.030% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  12.28 +/- 1.42   0.009% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  13.00 +/- 1.04   0.006% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  14.03 +/- 1.31   0.004% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  16.71 +/- 0.88   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 = 5.85, residual support = 217.7:
    * O T HG    LEU  104 - HA    LEU  104   3.13 +/- 0.42  98.597% * 99.5259% (1.00  10.0 10.00   5.85 217.72) =  99.999%  kept
          HB3   LYS+ 121 - HA    LEU  104   7.92 +/- 1.57   0.934% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  104   9.05 +/- 1.93   0.449% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LEU  104  17.55 +/- 2.47   0.006% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  16.81 +/- 1.66   0.006% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  20.95 +/- 0.80   0.001% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  19.19 +/- 1.65   0.002% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  19.02 +/- 0.73   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.46 +/- 1.36   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 217.7:
    *   T QD1   LEU  104 - HA    LEU  104   3.59 +/- 0.41  99.718% * 98.8828% (0.96 10.00   5.31 217.72) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  10.99 +/- 1.12   0.159% *  0.4212% (0.41 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    LEU  104  13.61 +/- 0.57   0.038% *  0.4212% (0.41 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  13.30 +/- 1.90   0.057% *  0.0783% (0.76  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  18.32 +/- 3.37   0.010% *  0.0889% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  18.96 +/- 2.36   0.006% *  0.0820% (0.80  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  17.33 +/- 2.17   0.012% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.82, residual support = 217.7:
    *   T QD2   LEU  104 - HA    LEU  104   2.32 +/- 0.57  99.229% * 98.7440% (1.00 10.00   5.82 217.72) =  99.998%  kept
        T QD1   LEU   98 - HA    LEU  104   6.18 +/- 0.58   0.677% *  0.3048% (0.31 10.00   0.02   8.47) =   0.002%
        T QG1   VAL   41 - HA    LEU  104   8.53 +/- 0.71   0.069% *  0.1954% (0.20 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  16.85 +/- 0.97   0.002% *  0.5590% (0.56 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104  10.60 +/- 1.02   0.021% *  0.0337% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  17.38 +/- 0.96   0.001% *  0.0953% (0.96  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  17.61 +/- 1.32   0.001% *  0.0678% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 217.7:
    * O T HA    LEU  104 - HB2   LEU  104   3.01 +/- 0.03  99.997% * 99.7454% (0.87  10.0 10.00   5.98 217.72) = 100.000%  kept
          HA    TRP   87 - HB2   LEU  104  20.08 +/- 3.81   0.002% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  22.67 +/- 3.94   0.001% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  23.75 +/- 1.44   0.000% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  28.50 +/- 2.52   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 = 5.42, residual support = 217.7:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.970% * 99.4463% (0.66  10.0 10.00   5.42 217.72) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   7.60 +/- 0.91   0.023% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104  10.69 +/- 1.56   0.003% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  10.95 +/- 0.98   0.002% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  11.36 +/- 1.33   0.002% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  14.50 +/- 1.01   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 = 217.7:
    * O T HG    LEU  104 - HB2   LEU  104   2.51 +/- 0.30  98.747% * 99.5259% (0.87  10.0 10.00   6.00 217.72) =  99.999%  kept
          HB3   LYS+ 121 - HB2   LEU  104   6.80 +/- 1.66   0.854% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB2   LEU  104   8.25 +/- 2.29   0.389% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  14.54 +/- 1.57   0.004% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  17.02 +/- 2.73   0.001% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  18.64 +/- 0.99   0.001% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  17.13 +/- 1.75   0.002% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  18.63 +/- 1.36   0.001% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.32 +/- 0.69   0.001% *  0.0197% (0.17   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 = 5.42, residual support = 217.7:
    * O T QD1   LEU  104 - HB2   LEU  104   2.52 +/- 0.18  99.893% * 98.8828% (0.84  10.0 10.00   5.42 217.72) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU  104   8.97 +/- 1.18   0.076% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU  104  11.86 +/- 0.67   0.011% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  11.93 +/- 2.17   0.016% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  17.54 +/- 3.38   0.001% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  17.77 +/- 2.34   0.001% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  16.61 +/- 2.08   0.002% *  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 = 217.7:
    * O T QD2   LEU  104 - HB2   LEU  104   2.96 +/- 0.35  95.536% * 99.0156% (0.87  10.0 10.00   6.20 217.72) =  99.997%  kept
        T QG1   VAL   41 - HB2   LEU  104   7.12 +/- 0.72   0.778% *  0.1960% (0.17   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   98 - HB2   LEU  104   5.70 +/- 0.74   3.497% *  0.0306% (0.27   1.0  1.00   0.02   8.47) =   0.001%
          QG1   VAL   43 - HB2   LEU  104   9.21 +/- 0.96   0.168% *  0.0338% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  14.55 +/- 1.02   0.009% *  0.5606% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  15.24 +/- 1.03   0.007% *  0.0956% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  15.97 +/- 1.32   0.006% *  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 = 217.7:
    * O T HA    LEU  104 - HB3   LEU  104   2.48 +/- 0.09  99.999% * 99.7454% (0.76  10.0 10.00   5.31 217.72) = 100.000%  kept
          HA    TRP   87 - HB3   LEU  104  21.23 +/- 3.89   0.000% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  23.95 +/- 4.01   0.000% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  24.93 +/- 1.51   0.000% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  29.58 +/- 2.55   0.000% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.42, residual support = 217.7:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.994% * 99.7433% (0.66  10.0 10.00   5.42 217.72) = 100.000%  kept
          QD1   ILE  119 - HB3   LEU  104  11.03 +/- 2.40   0.004% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   LEU  104  11.00 +/- 0.49   0.002% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  12.98 +/- 1.57   0.001% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  20.46 +/- 1.96   0.000% *  0.0605% (0.40   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 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.27, residual support = 217.7:
    * O T HG    LEU  104 - HB3   LEU  104   2.88 +/- 0.17  93.191% * 99.5259% (0.76  10.0 10.00   5.27 217.72) =  99.994%  kept
          HB3   LYS+ 121 - HB3   LEU  104   6.26 +/- 1.93   4.966% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HD2   LYS+ 121 - HB3   LEU  104   7.72 +/- 2.46   1.828% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB3   LEU  104  14.86 +/- 1.77   0.007% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  17.29 +/- 2.75   0.003% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  20.10 +/- 1.09   0.001% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  18.56 +/- 1.78   0.002% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.72 +/- 0.67   0.001% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  19.58 +/- 1.46   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 = 217.7:
    * O T QD1   LEU  104 - HB3   LEU  104   2.31 +/- 0.29  99.952% * 98.8828% (0.74  10.0 10.00   5.00 217.72) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104   9.75 +/- 1.26   0.034% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  13.27 +/- 0.66   0.004% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  12.30 +/- 2.17   0.008% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  18.83 +/- 3.38   0.001% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  19.14 +/- 2.33   0.001% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  17.68 +/- 2.14   0.001% *  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 = 217.7:
    * O T QD2   LEU  104 - HB3   LEU  104   2.67 +/- 0.33  99.405% * 99.0156% (0.76  10.0 10.00   5.36 217.72) = 100.000%  kept
        T QG1   VAL   41 - HB3   LEU  104   8.35 +/- 0.67   0.124% *  0.1960% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB3   LEU  104   6.90 +/- 0.65   0.431% *  0.0306% (0.24   1.0  1.00   0.02   8.47) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  15.68 +/- 1.11   0.003% *  0.5606% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   LEU  104  10.62 +/- 0.94   0.032% *  0.0338% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  16.51 +/- 1.09   0.002% *  0.0956% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  17.15 +/- 1.41   0.002% *  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 = 5.85, residual support = 217.7:
    * O T HA    LEU  104 - HG    LEU  104   3.13 +/- 0.42  99.995% * 99.7454% (1.00  10.0 10.00   5.85 217.72) = 100.000%  kept
          HA    TRP   87 - HG    LEU  104  20.92 +/- 3.95   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  23.27 +/- 4.15   0.001% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  24.03 +/- 1.67   0.001% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  28.42 +/- 2.80   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 = 217.7:
    * O T HB2   LEU  104 - HG    LEU  104   2.51 +/- 0.30  99.969% * 99.7433% (0.87  10.0 10.00   6.00 217.72) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  11.69 +/- 0.60   0.013% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  12.25 +/- 2.34   0.013% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  14.00 +/- 1.61   0.005% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  22.21 +/- 1.94   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 = 5.27, residual support = 217.7:
    * O T HB3   LEU  104 - HG    LEU  104   2.88 +/- 0.17  99.597% * 99.4463% (0.76  10.0 10.00   5.27 217.72) =  99.999%  kept
          QG1   VAL   70 - HG    LEU  104   8.13 +/- 1.04   0.301% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  104  10.98 +/- 1.32   0.051% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  11.97 +/- 1.44   0.029% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  12.97 +/- 1.45   0.016% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  15.45 +/- 1.21   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 = 5.27, residual support = 217.7:
    * O T QD1   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.985% * 98.8828% (0.97  10.0 10.00   5.27 217.72) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104  10.54 +/- 1.27   0.008% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  12.15 +/- 0.94   0.003% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  13.68 +/- 2.04   0.002% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  18.04 +/- 3.53   0.000% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  18.33 +/- 2.51   0.000% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  17.77 +/- 2.17   0.000% *  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 = 217.7:
    * O T QD2   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.459% * 99.0156% (1.00  10.0 10.00   5.86 217.72) = 100.000%  kept
        T QG1   VAL   41 - HG    LEU  104   6.64 +/- 1.19   0.176% *  0.1960% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU  104   5.65 +/- 0.62   0.350% *  0.0306% (0.31   1.0  1.00   0.02   8.47) =   0.000%
          QG1   VAL   43 - HG    LEU  104   9.84 +/- 1.23   0.014% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  15.57 +/- 1.21   0.001% *  0.5606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.51 +/- 1.33   0.001% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  17.25 +/- 1.45   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 = 217.7:
    *   T HA    LEU  104 - QD1   LEU  104   3.59 +/- 0.41  99.518% * 99.2875% (0.96 10.00   5.31 217.72) = 100.000%  kept
        T HA    LEU  104 - QD1   LEU   63  10.99 +/- 1.12   0.159% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  13.61 +/- 0.57   0.038% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  12.84 +/- 1.24   0.082% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  16.90 +/- 2.44   0.080% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  18.79 +/- 3.29   0.010% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  14.78 +/- 2.42   0.031% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  19.52 +/- 1.36   0.005% *  0.0760% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  20.75 +/- 3.45   0.005% *  0.0684% (0.66  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  14.61 +/- 2.25   0.033% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  16.39 +/- 0.72   0.013% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  23.13 +/- 2.32   0.002% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  17.06 +/- 2.61   0.015% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  19.28 +/- 2.39   0.006% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  21.43 +/- 1.30   0.003% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.04, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.736, support = 5.24, residual support = 210.5:
    * O T HB2   LEU  104 - QD1   LEU  104   2.52 +/- 0.18  21.837% * 90.3288% (0.84  10.0 10.00   5.42 217.72) =  87.102%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  58.153% *  3.3589% (0.03  10.0 10.00   5.60 241.52) =   8.625%  kept
        T QD1   ILE  119 - QD1   LEU   63   3.32 +/- 1.25  19.936% *  4.8530% (0.10   1.0 10.00   0.89   0.39) =   4.272%  kept
        T QD1   ILE  119 - QD1   LEU  104   9.87 +/- 2.02   0.011% *  0.5896% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   63   8.97 +/- 1.18   0.014% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  11.19 +/- 1.30   0.004% *  0.1824% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63   8.28 +/- 1.09   0.021% *  0.0185% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  10.58 +/- 0.49   0.004% *  0.1005% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  11.86 +/- 0.67   0.002% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  11.93 +/- 1.46   0.002% *  0.1086% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.46 +/- 1.95   0.011% *  0.0101% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  11.96 +/- 1.30   0.002% *  0.0336% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  11.49 +/- 0.95   0.003% *  0.0185% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.55 +/- 1.65   0.000% *  0.0548% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.87 +/- 1.55   0.000% *  0.0101% (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 = 0.699, support = 5.05, residual support = 219.1:
    * O T HB3   LEU  104 - QD1   LEU  104   2.31 +/- 0.29  52.728% * 89.6045% (0.74  10.0 10.00   5.00 217.72) =  94.213%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.51 +/- 0.18  32.650% *  8.8779% (0.07  10.0 10.00   5.86 241.52) =   5.780%  kept
          QD1   LEU   71 - QD1   LEU   73   3.83 +/- 1.38  13.255% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.006%
          QG1   VAL   70 - QD1   LEU  104   6.01 +/- 1.15   0.279% *  0.1132% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   63   6.17 +/- 1.37   0.375% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   5.98 +/- 0.77   0.257% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   6.03 +/- 0.50   0.223% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  10.37 +/- 1.08   0.008% *  0.4820% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.06 +/- 1.06   0.120% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63   9.75 +/- 1.26   0.013% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.14 +/- 0.89   0.018% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   9.17 +/- 1.44   0.017% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.94 +/- 1.25   0.007% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.58 +/- 0.39   0.025% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   9.19 +/- 1.04   0.018% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  13.27 +/- 0.66   0.002% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.91 +/- 1.19   0.002% *  0.1052% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.12 +/- 1.33   0.001% *  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 = 5.27, residual support = 217.7:
    * O T HG    LEU  104 - QD1   LEU  104   2.12 +/- 0.01  94.898% * 98.9901% (0.97  10.0 10.00   5.27 217.72) =  99.998%  kept
          HB3   LYS+ 121 - QD1   LEU  104   6.39 +/- 1.57   1.655% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QD1   LEU  104   7.76 +/- 2.32   0.507% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   4.39 +/- 0.76   2.233% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   6.91 +/- 1.21   0.166% *  0.0125% (0.12   1.0  1.00   0.02   6.20) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   7.50 +/- 1.38   0.107% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   6.26 +/- 1.03   0.276% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63  10.54 +/- 1.27   0.008% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  12.15 +/- 0.94   0.003% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   8.90 +/- 1.01   0.023% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   7.98 +/- 1.49   0.056% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   9.04 +/- 0.36   0.016% *  0.0176% (0.17   1.0  1.00   0.02  40.40) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  12.33 +/- 1.36   0.003% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  10.47 +/- 1.79   0.010% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.29 +/- 0.44   0.028% *  0.0045% (0.04   1.0  1.00   0.02   1.20) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  16.21 +/- 2.36   0.001% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  14.03 +/- 1.52   0.001% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  17.03 +/- 1.08   0.000% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  15.08 +/- 0.73   0.001% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.14 +/- 1.02   0.001% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  16.07 +/- 1.25   0.001% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  14.22 +/- 0.65   0.001% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  12.96 +/- 1.06   0.002% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.75 +/- 0.93   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  15.05 +/- 1.71   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  18.80 +/- 1.57   0.000% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  16.09 +/- 1.26   0.001% *  0.0056% (0.05   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 = 5.47, residual support = 217.7:
    * O T QD2   LEU  104 - QD1   LEU  104   2.09 +/- 0.05  88.745% * 98.3006% (0.97  10.0 10.00   5.47 217.72) =  99.998%  kept
          QG1   VAL   43 - QD1   LEU   73   3.54 +/- 0.79   8.810% *  0.0062% (0.06   1.0  1.00   0.02   7.90) =   0.001%
        T QG1   VAL   41 - QD1   LEU  104   5.99 +/- 0.74   0.240% *  0.1945% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU   73   5.35 +/- 0.75   0.469% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   73   4.64 +/- 0.53   0.951% *  0.0175% (0.17   1.0  1.00   0.02   4.00) =   0.000%
        T QG2   VAL   18 - QD1   LEU   63   6.61 +/- 0.61   0.101% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU  104   5.86 +/- 0.76   0.336% *  0.0303% (0.30   1.0  1.00   0.02   8.47) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   7.28 +/- 0.62   0.059% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63   9.51 +/- 1.29   0.015% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  12.86 +/- 0.79   0.002% *  0.5565% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  10.97 +/- 1.02   0.005% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   8.17 +/- 1.39   0.056% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.93 +/- 0.94   0.018% *  0.0335% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   7.09 +/- 0.94   0.084% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.43 +/- 0.92   0.012% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.73 +/- 1.04   0.045% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.61 +/- 0.50   0.020% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  12.94 +/- 0.96   0.002% *  0.0949% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.42 +/- 1.22   0.008% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   8.89 +/- 1.30   0.022% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  14.79 +/- 1.13   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 = 217.7:
    *   T HA    LEU  104 - QD2   LEU  104   2.32 +/- 0.57  99.877% * 99.4871% (1.00 10.00   5.82 217.72) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41   8.53 +/- 0.71   0.070% *  0.0534% (0.05 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18  10.28 +/- 0.88   0.036% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  16.85 +/- 0.97   0.002% *  0.1529% (0.15 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  17.84 +/- 3.06   0.001% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  20.96 +/- 1.43   0.001% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  19.86 +/- 3.18   0.001% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  15.77 +/- 1.35   0.003% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  24.52 +/- 2.14   0.000% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  15.66 +/- 1.12   0.003% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  16.83 +/- 3.32   0.002% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  16.05 +/- 3.02   0.003% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  19.99 +/- 1.79   0.001% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  19.00 +/- 2.18   0.001% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  19.08 +/- 2.26   0.001% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.2, residual support = 217.7:
    * O T HB2   LEU  104 - QD2   LEU  104   2.96 +/- 0.35  98.167% * 99.4846% (0.87  10.0 10.00   6.20 217.72) =  99.999%  kept
        T HB2   LEU  104 - QG1   VAL   41   7.12 +/- 0.72   0.806% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD2   LEU  104  10.14 +/- 0.64   0.073% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  10.81 +/- 1.82   0.084% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   8.59 +/- 0.93   0.241% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  14.55 +/- 1.02   0.009% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   7.72 +/- 0.93   0.436% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  12.50 +/- 1.72   0.023% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  12.77 +/- 1.04   0.022% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  11.24 +/- 0.67   0.044% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  11.87 +/- 2.06   0.061% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  19.05 +/- 1.59   0.002% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  15.70 +/- 2.16   0.008% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  12.39 +/- 1.17   0.023% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  20.80 +/- 1.74   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 = 0.504, support = 4.79, residual support = 159.4:
    * O T HB3   LEU  104 - QD2   LEU  104   2.67 +/- 0.33  19.624% * 83.3286% (0.76  10.0 10.00   5.36 217.72) =  58.489%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.06  77.235% * 15.0261% (0.14  10.0 10.00   4.00  77.16) =  41.510%  kept
          QD1   LEU   71 - QG1   VAL   41   4.53 +/- 1.15   2.808% *  0.0058% (0.05   1.0  1.00   0.02   4.34) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   7.53 +/- 0.99   0.057% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.77 +/- 1.13   0.001% *  0.9779% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104   9.95 +/- 1.23   0.009% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   8.35 +/- 0.67   0.019% *  0.0448% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.50 +/- 1.10   0.049% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  10.37 +/- 1.11   0.006% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.06 +/- 0.94   0.036% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.18 +/- 1.09   0.068% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.71 +/- 0.48   0.069% *  0.0057% (0.05   1.0  1.00   0.02   2.71) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.99 +/- 0.70   0.006% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.75 +/- 1.35   0.003% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.06 +/- 1.39   0.004% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.68 +/- 1.11   0.000% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.71 +/- 1.57   0.002% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.25 +/- 1.01   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 = 217.7:
    * O T HG    LEU  104 - QD2   LEU  104   2.12 +/- 0.01  94.485% * 99.1828% (1.00  10.0 10.00   5.86 217.72) =  99.998%  kept
          HG2   LYS+  65 - QG2   VAL   18   4.98 +/- 1.80   3.680% *  0.0449% (0.04   1.0  1.00   0.24   0.10) =   0.002%
          HD3   LYS+  74 - QG2   VAL   18   5.09 +/- 1.20   1.316% *  0.0147% (0.15   1.0  1.00   0.02   0.99) =   0.000%
          HB3   LYS+ 121 - QD2   LEU  104   7.32 +/- 1.38   0.136% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   6.64 +/- 1.19   0.168% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   8.53 +/- 1.87   0.054% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   8.95 +/- 1.05   0.022% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.51 +/- 1.23   0.085% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.81 +/- 1.66   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  15.57 +/- 1.21   0.001% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.71 +/- 0.59   0.022% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  16.25 +/- 2.35   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.80 +/- 2.04   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  17.74 +/- 1.14   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  11.94 +/- 1.18   0.004% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  12.10 +/- 1.25   0.003% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  14.75 +/- 1.26   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.47 +/- 0.96   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   9.57 +/- 0.58   0.012% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.60 +/- 1.62   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  16.82 +/- 1.60   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  13.95 +/- 0.56   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  13.15 +/- 1.82   0.003% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  14.19 +/- 0.67   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  15.46 +/- 1.59   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  18.78 +/- 2.07   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  15.33 +/- 0.87   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 = 5.47, residual support = 217.7:
    * O T QD1   LEU  104 - QD2   LEU  104   2.09 +/- 0.05  98.895% * 98.4528% (0.97  10.0 10.00   5.47 217.72) =  99.999%  kept
        T QD1   LEU  104 - QG1   VAL   41   5.99 +/- 0.74   0.282% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG1   VAL   41   5.35 +/- 0.75   0.556% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   6.61 +/- 0.61   0.117% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.51 +/- 1.29   0.017% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.28 +/- 0.62   0.066% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.97 +/- 1.02   0.006% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.43 +/- 0.92   0.014% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  12.86 +/- 0.79   0.002% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  11.88 +/- 1.61   0.004% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18   9.99 +/- 1.26   0.012% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  10.88 +/- 1.52   0.007% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  15.65 +/- 2.74   0.001% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  15.99 +/- 1.94   0.001% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  12.95 +/- 1.84   0.002% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  11.57 +/- 2.96   0.006% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  11.34 +/- 2.16   0.005% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  15.37 +/- 1.65   0.001% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  12.28 +/- 1.58   0.003% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.28 +/- 1.97   0.002% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  13.53 +/- 1.44   0.002% *  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 = 3.16, residual support = 41.7:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.57 +/- 0.18  99.877% * 99.5527% (0.95  10.0 10.00   3.16  41.73) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   8.98 +/- 0.70   0.076% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  10.28 +/- 1.50   0.035% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  15.35 +/- 0.77   0.003% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  13.26 +/- 1.07   0.008% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  17.95 +/- 0.79   0.001% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  23.23 +/- 0.78   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.48 +/- 0.61   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.83 +/- 1.09   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 = 3.16, residual support = 41.7:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.57 +/- 0.18  99.999% * 99.7814% (0.95  10.0 10.00   3.16  41.73) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  24.28 +/- 1.91   0.000% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  25.55 +/- 1.17   0.000% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  24.16 +/- 1.48   0.000% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  24.68 +/- 1.08   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 = 135.7:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.22 +/- 0.15  98.257% * 99.1664% (1.00  10.0 10.00   6.31 135.68) =  99.998%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.51 +/- 0.32   1.666% *  0.0860% (0.87   1.0  1.00   0.02  20.34) =   0.001%
          HB    ILE  103 - HA    LYS+ 106   8.07 +/- 0.83   0.066% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  12.24 +/- 0.79   0.004% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.64 +/- 0.73   0.003% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  16.93 +/- 2.36   0.001% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  17.43 +/- 0.54   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  18.85 +/- 1.04   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.52 +/- 0.56   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  19.95 +/- 1.63   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.17 +/- 0.78   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  18.40 +/- 0.54   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.84 +/- 0.93   0.001% *  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 = 135.7:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.75 +/- 0.70  99.551% * 98.2431% (1.00  10.0 10.00   5.03 135.68) = 100.000%  kept
        T QG    LYS+  81 - HA    LYS+ 106  19.39 +/- 1.47   0.008% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  19.31 +/- 1.53   0.009% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 106  11.15 +/- 2.48   0.390% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  14.71 +/- 0.93   0.042% *  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 = 135.7:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.75 +/- 0.38  98.621% * 98.5750% (1.00 10.00   4.80 135.68) =  99.998%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.36 +/- 0.72   0.160% *  0.9836% (1.00 10.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106   9.60 +/- 0.94   0.497% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 106  12.16 +/- 0.81   0.102% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  11.00 +/- 0.74   0.196% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  13.80 +/- 0.96   0.050% *  0.0932% (0.95  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  11.85 +/- 1.47   0.174% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  12.32 +/- 0.95   0.096% *  0.0405% (0.41  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  13.95 +/- 1.58   0.053% *  0.0716% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  13.89 +/- 1.37   0.050% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.95, support = 4.93, residual support = 113.0:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.38 +/- 0.38  39.650% * 87.0507% (1.00 10.00   5.13 135.68) =  81.758%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.06 +/- 0.61  60.185% * 12.7954% (0.73  1.00   4.05  11.47) =  18.242%  kept
          HB3   PHE   60 - HA    LYS+ 106  11.28 +/- 1.25   0.141% *  0.0823% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    LYS+ 106  16.17 +/- 1.36   0.018% *  0.0598% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  18.47 +/- 0.94   0.007% *  0.0118% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.31, residual support = 135.7:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.22 +/- 0.15 100.000% *100.0000% (1.00  10.0 10.00   6.31 135.68) = 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 = 135.7:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.25 +/- 0.11  99.978% * 98.2431% (1.00  10.0 10.00   5.33 135.68) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+ 106  16.88 +/- 1.75   0.001% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  17.84 +/- 1.56   0.000% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+ 106  10.20 +/- 2.11   0.019% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  14.03 +/- 1.18   0.002% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.08, residual support = 135.7:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.31 +/- 0.21  99.863% * 97.1433% (1.00  10.0 10.00   5.08 135.68) = 100.000%  kept
        T QG1   ILE   56 - QB    LYS+ 106   9.51 +/- 1.09   0.026% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QB    LYS+ 106  10.90 +/- 0.65   0.010% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  12.60 +/- 1.30   0.005% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106   9.98 +/- 1.68   0.052% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  10.36 +/- 0.63   0.015% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  14.16 +/- 1.36   0.003% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.43 +/- 0.78   0.013% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  12.97 +/- 1.33   0.004% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  11.21 +/- 0.82   0.009% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.973, support = 5.09, residual support = 123.4:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.75 +/- 0.62  86.872% * 57.8731% (1.00 10.00   5.41 135.68) =  90.150%  kept
        T HB2   PHE   97 - QB    LYS+ 106   4.74 +/- 0.94  13.072% * 42.0245% (0.73 10.00   2.22  11.47) =   9.850%  kept
          HB3   PHE   60 - QB    LYS+ 106  11.44 +/- 1.32   0.042% *  0.0547% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  14.52 +/- 1.52   0.011% *  0.0398% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  16.60 +/- 1.06   0.003% *  0.0078% (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 = 135.7:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.75 +/- 0.70  99.984% * 99.1803% (1.00  10.0 10.00   5.03 135.68) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  19.31 +/- 1.53   0.009% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  19.39 +/- 1.47   0.008% *  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 = 0.737, support = 5.39, residual support = 134.4:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.25 +/- 0.11  28.594% * 54.3218% (1.00  10.0 10.00   5.33 135.68) =  53.396%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.28 +/- 0.10  26.428% * 31.1646% (0.57  10.0 10.00   5.67 149.95) =  28.312%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  44.617% * 11.9258% (0.22  10.0 10.00   5.13 106.82) =  18.291%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.87 +/- 0.82   0.137% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.53 +/- 0.49   0.059% *  0.0471% (0.87   1.0  1.00   0.02  20.34) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.97 +/- 0.72   0.126% *  0.0135% (0.25   1.0  1.00   0.02   0.16) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.61 +/- 2.45   0.030% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.18 +/- 0.97   0.000% *  0.5139% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.31 +/- 1.31   0.002% *  0.0200% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  17.84 +/- 1.56   0.000% *  0.3294% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  19.90 +/- 2.54   0.000% *  0.5420% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  16.88 +/- 1.75   0.000% *  0.1195% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.92 +/- 1.18   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  21.65 +/- 1.55   0.000% *  0.3287% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.18 +/- 0.92   0.001% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  14.82 +/- 2.55   0.001% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  19.12 +/- 1.34   0.000% *  0.1131% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.62 +/- 2.55   0.002% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.95 +/- 2.26   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  18.69 +/- 1.42   0.000% *  0.0532% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.70 +/- 2.44   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.31 +/- 1.43   0.000% *  0.0223% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.29 +/- 1.29   0.000% *  0.0264% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  18.93 +/- 0.78   0.000% *  0.0329% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.57 +/- 1.79   0.000% *  0.0286% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.51 +/- 1.15   0.000% *  0.0454% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  17.29 +/- 1.85   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  16.03 +/- 1.63   0.000% *  0.0049% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.18 +/- 1.23   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.61 +/- 1.97   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  21.95 +/- 2.04   0.000% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  22.90 +/- 1.24   0.000% *  0.0104% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.46 +/- 2.26   0.000% *  0.0275% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  28.15 +/- 1.63   0.000% *  0.0323% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  21.32 +/- 2.17   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  25.85 +/- 1.56   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.78 +/- 2.14   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.65 +/- 1.26   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  28.06 +/- 0.92   0.000% *  0.0072% (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 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 = 135.7:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.33 +/- 0.14  99.869% * 96.6493% (1.00  10.0 10.00   4.11 135.68) = 100.000%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  11.94 +/- 0.73   0.006% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  33   9.42 +/- 1.28   0.041% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  13.98 +/- 1.64   0.003% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106  10.12 +/- 1.68   0.042% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.34 +/- 0.79   0.008% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  13.00 +/- 0.79   0.004% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  12.17 +/- 1.24   0.006% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  19.40 +/- 1.81   0.000% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  15.30 +/- 1.76   0.002% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  17.78 +/- 2.27   0.001% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  15.47 +/- 1.65   0.001% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  14.23 +/- 0.97   0.002% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  13.32 +/- 2.10   0.004% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  14.86 +/- 1.86   0.002% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  16.56 +/- 1.70   0.001% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  14.48 +/- 0.91   0.002% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  14.49 +/- 1.89   0.002% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  24.29 +/- 0.91   0.000% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  15.45 +/- 1.29   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.60 +/- 1.74   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  20.74 +/- 1.61   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  24.29 +/- 3.45   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  25.87 +/- 1.30   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  22.84 +/- 1.50   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.24 +/- 1.51   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  31.61 +/- 2.20   0.000% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  22.88 +/- 2.07   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  25.37 +/- 1.40   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  29.16 +/- 1.62   0.000% *  0.0095% (0.10   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 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 135.7:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.77 +/- 0.43  93.751% * 98.7341% (1.00  10.0 10.00   4.43 135.68) =  99.995%  kept
          HB2   PHE   97 - HG2   LYS+ 106   5.78 +/- 1.00   5.930% *  0.0717% (0.73   1.0  1.00   0.02  11.47) =   0.005%
          HB2   ASN   35 - HG2   LYS+  33   7.94 +/- 0.82   0.230% *  0.0081% (0.08   1.0  1.00   0.02   1.16) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  10.89 +/- 0.65   0.040% *  0.0411% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  14.34 +/- 1.35   0.009% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  19.72 +/- 1.67   0.001% *  0.5988% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  18.28 +/- 2.08   0.002% *  0.2172% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  11.68 +/- 1.55   0.023% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  16.78 +/- 2.05   0.004% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  16.91 +/- 1.67   0.003% *  0.0435% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  18.52 +/- 1.74   0.001% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  16.47 +/- 0.88   0.003% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  18.23 +/- 1.18   0.002% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  21.16 +/- 1.14   0.001% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  23.55 +/- 1.33   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 = 135.7:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.75 +/- 0.38  99.838% * 99.1942% (0.99 10.00   4.80 135.68) =  99.999%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.36 +/- 0.72   0.162% *  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 = 135.7:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.31 +/- 0.21  98.475% * 96.5416% (0.99  10.0 10.00   5.08 135.68) =  99.999%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.10 +/- 0.82   0.701% *  0.0837% (0.86   1.0  1.00   0.02  20.34) =   0.001%
          HB    ILE  103 - QD    LYS+ 106   6.53 +/- 0.93   0.310% *  0.0773% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  99   6.74 +/- 1.02   0.386% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  10.90 +/- 0.65   0.010% *  0.7842% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  12.68 +/- 1.34   0.005% *  0.7378% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   8.59 +/- 0.97   0.050% *  0.0680% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.41 +/- 0.72   0.025% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  11.42 +/- 1.77   0.017% *  0.0599% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  12.37 +/- 0.78   0.005% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  11.20 +/- 0.98   0.009% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  20.16 +/- 1.02   0.000% *  0.5993% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  16.39 +/- 1.44   0.001% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.46 +/- 1.13   0.001% *  0.0913% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  15.10 +/- 1.11   0.002% *  0.0322% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  18.01 +/- 2.46   0.001% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  18.20 +/- 2.24   0.001% *  0.0738% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  18.76 +/- 1.38   0.001% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.69 +/- 1.61   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.24 +/- 0.89   0.000% *  0.0586% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  17.72 +/- 1.08   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  24.71 +/- 1.30   0.000% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  26.10 +/- 1.09   0.000% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  26.98 +/- 0.91   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.24 +/- 0.61   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  21.10 +/- 1.25   0.000% *  0.0121% (0.12   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 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 135.7:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.33 +/- 0.14  99.956% * 96.1045% (0.99  10.0 10.00   4.11 135.68) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  11.94 +/- 0.73   0.006% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  13.98 +/- 1.64   0.003% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  17.78 +/- 2.27   0.001% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106  10.18 +/- 2.54   0.032% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  19.40 +/- 1.81   0.000% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  24.29 +/- 0.91   0.000% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  15.63 +/- 1.24   0.001% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  19.43 +/- 0.87   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  20.05 +/- 2.38   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 0.03 A, kept.
 
    Peak 1334 (1.70, 1.70, 30.09 ppm):
    2 diagonal assignments:
    *     QD    LYS+ 106 - QD    LYS+ 106  (1.00)  kept
          QD    LYS+  99 - QD    LYS+  99  (0.80)  kept
 
    Peak 1335 (2.98, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.29, residual support = 135.7:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  99.731% * 98.7514% (0.99  10.0 10.00   3.29 135.68) = 100.000%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.18 +/- 0.73   0.214% *  0.0717% (0.72   1.0  1.00   0.02  11.47) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  11.63 +/- 1.23   0.004% *  0.8022% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.92 +/- 0.76   0.043% *  0.0583% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  12.90 +/- 1.19   0.002% *  0.0934% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  11.30 +/- 0.78   0.004% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.03 +/- 2.04   0.001% *  0.0678% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  16.86 +/- 1.12   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.77 +/- 1.45   0.000% *  0.0551% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  17.78 +/- 1.24   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 = 5.13, residual support = 135.7:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.38 +/- 0.38 100.000% *100.0000% (1.00 10.00   5.13 135.68) = 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 = 0.995, support = 5.34, residual support = 130.9:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.75 +/- 0.62  92.646% * 53.3343% (1.00 10.00   5.41 135.68) =  95.886%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.27 +/- 1.12   4.580% * 46.2637% (0.87 10.00   3.66  20.34) =   4.112%  kept
          HB    ILE  103 - QE    LYS+ 106   6.34 +/- 1.34   2.721% *  0.0427% (0.80  1.00   0.02   0.02) =   0.002%
          HB    ILE   56 - QE    LYS+ 106  13.30 +/- 1.24   0.014% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  11.72 +/- 1.16   0.021% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  18.54 +/- 2.30   0.003% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+ 106  16.83 +/- 1.95   0.002% *  0.0523% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  17.73 +/- 1.20   0.002% *  0.0505% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  18.47 +/- 2.24   0.002% *  0.0532% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  18.33 +/- 1.28   0.002% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  17.11 +/- 1.59   0.003% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  19.38 +/- 1.43   0.001% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.30 +/- 1.03   0.002% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 135.7:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.77 +/- 0.43  99.860% * 98.2431% (1.00  10.0 10.00   4.43 135.68) = 100.000%  kept
          HB3   LYS+ 111 - QE    LYS+ 106  10.46 +/- 2.71   0.133% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QE    LYS+ 106  18.28 +/- 2.08   0.002% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  19.72 +/- 1.67   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  16.31 +/- 1.23   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 0.04 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.29, residual support = 135.7:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  99.942% * 98.5861% (0.99  10.0 10.00   3.29 135.68) = 100.000%  kept
        T QD    LYS+  99 - QE    LYS+ 106  11.63 +/- 1.23   0.004% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.80 +/- 1.85   0.031% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  10.98 +/- 1.32   0.006% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  11.51 +/- 1.22   0.005% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  11.36 +/- 1.29   0.005% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  12.61 +/- 2.22   0.003% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  12.71 +/- 1.06   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  15.25 +/- 1.47   0.001% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  14.87 +/- 1.74   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 = 58.2:
    * O T HB    VAL  107 - HA    VAL  107   2.93 +/- 0.15  99.825% * 99.6302% (0.73  10.0 10.00   3.31  58.23) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.50 +/- 1.33   0.063% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.68 +/- 0.68   0.088% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  12.19 +/- 0.91   0.022% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  20.61 +/- 1.33   0.001% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  22.28 +/- 0.76   0.001% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.72 +/- 0.71   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 = 58.2:
    * O T HA    VAL  107 - HB    VAL  107   2.93 +/- 0.15  99.290% * 99.7511% (0.73  10.0 10.00   3.31  58.23) = 100.000%  kept
          HA    ALA  110 - HB    VAL  107   7.59 +/- 1.61   0.686% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB    VAL  107  14.47 +/- 0.81   0.008% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  13.74 +/- 1.43   0.012% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  17.90 +/- 0.77   0.002% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  17.06 +/- 0.79   0.003% *  0.0222% (0.16   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 = 3.3, residual support = 62.1:
    * O T HB    VAL  108 - HA    VAL  108   2.67 +/- 0.36  97.946% * 99.4465% (1.00  10.0 10.00   3.30  62.13) =  99.998%  kept
          HB2   PRO   93 - HA    VAL  108   6.45 +/- 1.28   2.036% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    VAL  108  12.41 +/- 0.80   0.012% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  14.90 +/- 1.04   0.004% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  19.61 +/- 0.74   0.001% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.32 +/- 0.67   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  21.39 +/- 1.10   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  22.31 +/- 1.28   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  37.14 +/- 3.03   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 = 62.1:
    * O T QG1   VAL  108 - HA    VAL  108   2.62 +/- 0.05  99.975% * 99.8607% (1.00  10.0 10.00   3.97  62.13) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  13.25 +/- 1.74   0.008% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  12.52 +/- 0.25   0.008% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  13.80 +/- 1.11   0.005% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  16.07 +/- 2.30   0.003% *  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 = 62.1:
    * O T QG2   VAL  108 - HA    VAL  108   2.61 +/- 0.49  99.903% * 99.7938% (1.00  10.0 10.00   3.30  62.13) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108   9.84 +/- 0.64   0.061% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  11.46 +/- 1.27   0.028% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.70 +/- 0.43   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 0.13 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - HB    VAL  108   2.67 +/- 0.36  98.319% * 99.8175% (1.00  10.0 10.00   3.30  62.13) =  99.999%  kept
          HA1   GLY  109 - HB    VAL  108   5.60 +/- 0.31   1.673% *  0.0308% (0.31   1.0  1.00   0.02   7.64) =   0.001%
          HA    ALA   47 - HB    VAL  108  15.16 +/- 2.22   0.003% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  15.34 +/- 2.53   0.004% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  19.21 +/- 2.15   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 = 3.44, residual support = 62.1:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  99.994% * 99.8607% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  14.43 +/- 1.87   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  12.55 +/- 0.48   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  14.91 +/- 1.49   0.001% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  16.67 +/- 2.41   0.001% *  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 = 3.0, residual support = 62.1:
    * O T QG2   VAL  108 - HB    VAL  108   2.13 +/- 0.01  99.990% * 99.1471% (1.00  10.0 10.00   3.00  62.13) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  11.03 +/- 0.65   0.006% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  12.90 +/- 0.38   0.002% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  13.39 +/- 1.03   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 = 0.994, support = 3.96, residual support = 61.6:
    * O T HA    VAL  108 - QG1   VAL  108   2.62 +/- 0.05  84.464% * 95.2089% (1.00  10.0 10.00   3.97  62.13) =  99.112%  kept
          HA1   GLY  109 - QG1   VAL  108   3.52 +/- 0.25  15.507% *  4.6464% (0.31   1.0  1.00   3.16   7.64) =   0.888%  kept
          HA    ALA   47 - QG1   VAL  108  12.13 +/- 1.96   0.012% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  11.94 +/- 2.28   0.014% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  15.20 +/- 1.92   0.003% *  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 = 3.44, residual support = 62.1:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  99.862% * 99.4465% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   7.09 +/- 1.06   0.133% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  12.58 +/- 0.78   0.003% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  13.94 +/- 1.19   0.001% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  17.67 +/- 0.98   0.000% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.55 +/- 0.68   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.20 +/- 1.13   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  20.89 +/- 1.08   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  32.91 +/- 2.79   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG2   VAL  108 - QG1   VAL  108   2.08 +/- 0.04  99.985% * 99.7938% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108  10.26 +/- 0.49   0.007% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  11.15 +/- 0.91   0.005% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.62 +/- 0.38   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - QG2   VAL  108   2.61 +/- 0.49  95.708% * 99.8175% (1.00  10.0 10.00   3.30  62.13) =  99.999%  kept
          HA1   GLY  109 - QG2   VAL  108   5.10 +/- 0.43   4.269% *  0.0308% (0.31   1.0  1.00   0.02   7.64) =   0.001%
          HA    ALA   47 - QG2   VAL  108  12.65 +/- 1.68   0.010% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG2   VAL  108  13.03 +/- 1.95   0.010% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  16.19 +/- 1.59   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 = 3.0, residual support = 62.1:
    * O T HB    VAL  108 - QG2   VAL  108   2.13 +/- 0.01  99.876% * 98.6316% (1.00  10.0 10.00   3.00  62.13) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   7.48 +/- 1.34   0.116% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  11.40 +/- 0.81   0.005% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  14.66 +/- 0.96   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  16.10 +/- 1.05   0.001% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.36 +/- 0.71   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  17.73 +/- 1.34   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  19.14 +/- 1.02   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  31.30 +/- 2.83   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 = 62.1:
    * O T QG1   VAL  108 - QG2   VAL  108   2.08 +/- 0.04  99.985% * 99.8607% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          QD1   LEU   40 - QG2   VAL  108  10.18 +/- 0.35   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL  108  11.93 +/- 1.29   0.004% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  12.35 +/- 0.98   0.003% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  13.77 +/- 1.86   0.002% *  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 = 9.19:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.991% * 98.9563% (1.00  10.0 10.00   2.00   9.19) = 100.000%  kept
          HA    THR  118 - HA1   GLY  109  12.22 +/- 1.89   0.008% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   TRP   49 - HA1   GLY  109  17.86 +/- 1.90   0.000% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  15.53 +/- 2.43   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.27 +/- 1.25   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 = 9.19:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.630% * 97.8789% (1.00  10.0 10.00   2.00   9.19) = 100.000%  kept
          HA    VAL  108 - HA2   GLY  109   4.46 +/- 0.04   0.368% *  0.0302% (0.31   1.0  1.00   0.02   7.64) =   0.000%
        T HA    CYS   50 - HA2   GLY  109  12.83 +/- 2.90   0.001% *  0.9766% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  16.83 +/- 2.54   0.000% *  0.9446% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  14.48 +/- 2.30   0.000% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.10 +/- 0.69   0.000% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  23.28 +/- 1.41   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 +/- 0.01  99.991% * 98.4934% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  12.49 +/- 2.72   0.004% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  14.25 +/- 1.93   0.002% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  16.08 +/- 3.02   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  17.41 +/- 2.97   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  20.54 +/- 2.95   0.000% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  20.25 +/- 3.68   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  19.60 +/- 2.63   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  19.09 +/- 2.47   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.22 +/- 1.14   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  22.37 +/- 2.73   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.51 +/- 1.95   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 +/- 0.01  99.413% * 98.8162% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
          HA    PHE   55 - QB    ALA  110   7.49 +/- 3.52   0.339% *  0.0857% (0.87   1.0  1.00   0.02   0.20) =   0.000%
          HA    PHE   55 - QB    ALA   61   9.15 +/- 1.86   0.073% *  0.0634% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA  110   7.41 +/- 1.11   0.136% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  110 - QB    ALA   61  12.49 +/- 2.72   0.004% *  0.7312% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  11.81 +/- 1.74   0.005% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110   9.30 +/- 1.67   0.022% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.43 +/- 0.74   0.005% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.39 +/- 0.66   0.002% *  0.0226% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  13.98 +/- 0.96   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  17.67 +/- 0.85   0.000% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  15.62 +/- 1.22   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 = 315.3:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.62 +/- 0.22  95.896% * 98.9314% (1.00  10.0 10.00   7.98 315.30) =  99.998%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.56 +/- 0.33   4.089% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    LYS+ 111  11.61 +/- 0.93   0.014% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  27.49 +/- 1.42   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  24.53 +/- 1.88   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  25.24 +/- 1.89   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  23.60 +/- 2.45   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  26.19 +/- 1.34   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  24.03 +/- 1.02   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  31.35 +/- 1.42   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  25.98 +/- 1.04   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  28.39 +/- 1.74   0.000% *  0.0275% (0.28   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 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.3:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.50 +/- 0.47  99.340% * 99.2615% (1.00  10.0 10.00   7.31 315.30) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.97 +/- 0.85   0.525% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+ 111  14.59 +/- 1.93   0.034% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 111  14.82 +/- 1.70   0.029% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  16.18 +/- 1.78   0.016% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  13.87 +/- 0.91   0.034% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  16.90 +/- 1.28   0.011% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.18 +/- 1.03   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.19 +/- 1.73   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  23.50 +/- 1.94   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  25.06 +/- 1.71   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  26.92 +/- 1.29   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  31.62 +/- 1.36   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.997, support = 7.31, residual support = 313.7:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.59 +/- 0.43  95.075% * 89.8426% (1.00  10.0 10.00   7.31 315.30) =  99.450%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.00 +/- 1.58   4.921% *  9.6055% (0.38   1.0  1.00   5.70  28.08) =   0.550%  kept
        T HG2   LYS+  74 - HA    LYS+ 111  18.40 +/- 1.38   0.001% *  0.3372% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 111  16.57 +/- 3.37   0.003% *  0.0890% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  24.37 +/- 1.27   0.000% *  0.0403% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  25.20 +/- 1.38   0.000% *  0.0369% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.65 +/- 1.73   0.000% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  25.56 +/- 1.41   0.000% *  0.0178% (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 = 315.3:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.01 +/- 0.47  99.150% * 98.3525% (1.00 10.00   6.21 315.30) =  99.999%  kept
          HG3   PRO   93 - HA    LYS+ 111   8.25 +/- 1.34   0.550% *  0.0853% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 111   9.52 +/- 1.20   0.254% *  0.0964% (0.98  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 111  11.87 +/- 1.37   0.035% *  0.0714% (0.73  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  22.60 +/- 1.84   0.001% *  0.6756% (0.69 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.00 +/- 1.38   0.003% *  0.1518% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  17.45 +/- 0.99   0.004% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  21.97 +/- 1.26   0.001% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  21.61 +/- 1.58   0.001% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  28.23 +/- 1.47   0.000% *  0.3036% (0.31 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.62 +/- 2.25   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.3:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.16 +/- 0.23  99.199% * 98.5544% (1.00 10.00   6.21 315.30) =  99.999%  kept
          QB    ALA   57 - HA    LYS+ 111  10.63 +/- 1.47   0.684% *  0.0983% (1.00  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HA    LYS+ 111  19.00 +/- 1.38   0.013% *  0.2457% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  14.51 +/- 0.99   0.065% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 111  17.88 +/- 1.27   0.018% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  18.21 +/- 0.91   0.015% *  0.0884% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  27.32 +/- 1.46   0.001% *  0.8839% (0.90 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.62 +/- 2.25   0.005% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.3:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.07 +/- 0.40  99.986% * 99.8490% (1.00 10.00   5.62 315.30) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  14.17 +/- 0.77   0.014% *  0.0945% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  23.74 +/- 1.04   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 = 315.3:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.62 +/- 0.22  99.979% * 99.7221% (1.00  10.0 10.00   7.98 315.30) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  11.51 +/- 2.42   0.021% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  27.49 +/- 1.42   0.000% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  25.77 +/- 1.84   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 = 315.3:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.73 +/- 0.14  99.637% * 98.9173% (1.00  10.0 10.00   7.31 315.30) = 100.000%  kept
          HB2   LEU   31 - HG3   GLN   30   7.47 +/- 0.20   0.251% *  0.0197% (0.20   1.0  1.00   0.02  49.08) =   0.000%
          HB3   PRO   93 - HB2   LYS+ 111  10.29 +/- 1.13   0.042% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  15.03 +/- 1.88   0.005% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  15.65 +/- 1.94   0.004% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  13.25 +/- 1.73   0.012% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  14.04 +/- 3.11   0.009% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  16.60 +/- 1.91   0.003% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.53 +/- 1.37   0.009% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.86 +/- 1.36   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.47 +/- 1.25   0.001% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  15.04 +/- 0.79   0.004% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  17.76 +/- 1.61   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  16.62 +/- 1.83   0.003% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  16.57 +/- 1.09   0.002% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  19.68 +/- 2.12   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  24.41 +/- 2.58   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  15.74 +/- 1.84   0.003% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  24.21 +/- 2.03   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  13.83 +/- 0.99   0.007% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  28.23 +/- 1.59   0.000% *  0.1988% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  26.92 +/- 1.68   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  21.72 +/- 2.74   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  20.31 +/- 2.07   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  19.94 +/- 1.35   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  31.05 +/- 1.70   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.3:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.90 +/- 0.22  94.991% * 98.4912% (1.00  10.0 10.00   7.29 315.30) =  99.999%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.32 +/- 1.35   1.032% *  0.0370% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   6.54 +/- 1.48   2.666% *  0.0039% (0.04   1.0  1.00   0.02  14.95) =   0.000%
          HG    LEU   71 - HG3   GLN   30   7.24 +/- 1.81   0.924% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   8.13 +/- 1.25   0.343% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  11.67 +/- 1.39   0.031% *  0.0743% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  17.23 +/- 3.67   0.005% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  19.58 +/- 1.67   0.001% *  0.3696% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  25.33 +/- 1.50   0.000% *  0.4049% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  26.25 +/- 1.51   0.000% *  0.1949% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  28.23 +/- 1.60   0.000% *  0.1980% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  16.62 +/- 1.50   0.003% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  20.54 +/- 2.54   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  24.43 +/- 1.42   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  23.79 +/- 1.93   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  27.91 +/- 2.81   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 = 315.3:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.45 +/- 0.47  98.286% * 97.6852% (1.00  10.0 10.00   6.62 315.30) = 100.000%  kept
          HB2   LEU   73 - HG3   GLN   30   5.89 +/- 1.39   1.549% *  0.0176% (0.18   1.0  1.00   0.02   5.33) =   0.000%
          HG3   PRO   93 - HB2   LYS+ 111   9.88 +/- 1.53   0.069% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+ 111  10.67 +/- 1.51   0.054% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  10.95 +/- 1.89   0.022% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  15.30 +/- 0.76   0.004% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  21.60 +/- 1.84   0.000% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  18.05 +/- 1.31   0.001% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  16.63 +/- 1.26   0.002% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.77 +/- 1.10   0.001% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  22.04 +/- 1.39   0.000% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.80 +/- 1.91   0.002% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  16.28 +/- 1.08   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  20.74 +/- 1.83   0.000% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  27.59 +/- 1.75   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  22.55 +/- 1.44   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  14.85 +/- 3.29   0.005% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  18.58 +/- 1.53   0.001% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  29.61 +/- 1.54   0.000% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  22.62 +/- 1.28   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  25.00 +/- 2.90   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  23.36 +/- 2.80   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.983, support = 6.5, residual support = 308.8:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.31 +/- 0.41  76.210% * 92.1301% (1.00  10.0 10.00   6.62 315.30) =  97.945%  kept
        T QD    LYS+  33 - HG3   GLN   30   4.90 +/- 1.30  23.652% *  6.2279% (0.18   1.0 10.00   0.75   0.16) =   2.055%  kept
          QB    ALA   57 - HB2   LYS+ 111  12.10 +/- 1.28   0.041% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  12.05 +/- 1.37   0.048% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  13.38 +/- 1.16   0.018% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.77 +/- 1.10   0.002% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  17.45 +/- 1.14   0.003% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.80 +/- 1.91   0.005% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  27.52 +/- 1.25   0.000% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  19.07 +/- 1.53   0.002% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.43 +/- 1.45   0.004% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  14.85 +/- 3.29   0.014% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  30.00 +/- 1.54   0.000% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  23.36 +/- 2.80   0.001% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  25.31 +/- 3.16   0.001% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  22.27 +/- 1.47   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 0.14 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.3:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.30 +/- 0.73  90.253% * 99.6189% (1.00 10.00   6.06 315.30) =  99.999%  kept
          HB2   CYS   21 - HG3   GLN   30   5.79 +/- 1.24   9.717% *  0.0113% (0.11  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HB2   LYS+ 111  15.01 +/- 1.20   0.016% *  0.0942% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  15.74 +/- 1.14   0.014% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  26.58 +/- 1.14   0.001% *  0.2002% (0.20 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  24.53 +/- 1.30   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 = 315.3:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.50 +/- 0.47  99.867% * 99.9354% (1.00  10.0 10.00   7.31 315.30) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  11.75 +/- 2.30   0.133% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 315.2:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.73 +/- 0.14  69.576% * 98.9314% (1.00  10.0 10.00   7.31 315.30) =  99.975%  kept
          QB    GLU- 114 - HG2   LYS+ 111   3.69 +/- 1.41  30.416% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.025%
          HB    ILE  119 - HG2   LYS+ 111  12.44 +/- 1.40   0.007% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  28.23 +/- 1.59   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  25.59 +/- 1.98   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  26.92 +/- 1.89   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  27.22 +/- 1.49   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  24.51 +/- 2.42   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  25.16 +/- 1.36   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  31.90 +/- 2.37   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  26.55 +/- 1.47   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.83 +/- 2.46   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 = 315.3:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.963% * 98.1828% (1.00  10.0 10.00   6.98 315.30) = 100.000%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.71 +/- 1.88   0.037% *  0.0368% (0.38   1.0  1.00   0.02  28.08) =   0.000%
        T HG12  ILE   89 - HG2   LYS+ 111  16.50 +/- 4.30   0.001% *  0.9731% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  19.91 +/- 1.50   0.000% *  0.3685% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  24.18 +/- 2.36   0.000% *  0.3349% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.96 +/- 1.69   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.82 +/- 1.75   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  26.81 +/- 1.68   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 = 315.3:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.96 +/- 0.09  99.713% * 97.1375% (1.00  10.0 10.00   6.21 315.30) =  99.999%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  10.72 +/- 2.35   0.093% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG2   LYS+ 111  10.05 +/- 1.63   0.103% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 111  10.18 +/- 1.51   0.084% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  21.42 +/- 2.37   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  21.14 +/- 2.35   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  17.80 +/- 1.42   0.002% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.79 +/- 1.48   0.001% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  27.94 +/- 2.15   0.000% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  22.86 +/- 1.61   0.001% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.90 +/- 3.16   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 0.11 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.3:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.38 +/- 0.14  99.987% * 97.8296% (1.00  10.0 10.00   6.21 315.30) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+ 111  12.79 +/- 1.45   0.008% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+ 111  19.45 +/- 1.41   0.000% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  14.16 +/- 1.61   0.003% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.79 +/- 1.48   0.000% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  18.65 +/- 1.29   0.001% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  27.81 +/- 1.45   0.000% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.90 +/- 3.16   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 = 315.3:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.78 +/- 0.33  99.993% * 99.8490% (1.00  10.0 10.00   5.62 315.30) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.90 +/- 1.55   0.007% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  24.67 +/- 1.48   0.000% *  0.0565% (0.57   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 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.3:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.59 +/- 0.43  99.950% * 99.8218% (1.00  10.0 10.00   7.31 315.30) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  10.76 +/- 2.72   0.043% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  18.40 +/- 1.38   0.001% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  14.74 +/- 1.39   0.006% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.3:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.90 +/- 0.22  84.043% * 98.2440% (1.00  10.0 10.00   7.29 315.30) =  99.989%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.42 +/- 1.12  15.597% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.011%
        T HB    ILE   19 - HG2   LYS+  74   7.99 +/- 0.70   0.229% *  0.0511% (0.05   1.0 10.00   0.02   8.39) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  11.67 +/- 1.39   0.026% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.86 +/- 1.05   0.038% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  12.53 +/- 1.54   0.018% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  19.58 +/- 1.67   0.001% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  25.02 +/- 1.44   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.26 +/- 0.73   0.028% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.65 +/- 0.81   0.006% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  28.23 +/- 1.60   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  15.61 +/- 1.07   0.004% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  25.59 +/- 2.00   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  18.14 +/- 2.07   0.002% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  26.57 +/- 2.23   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.76 +/- 1.05   0.002% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  27.15 +/- 1.69   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  24.58 +/- 2.41   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  18.14 +/- 1.65   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  17.19 +/- 1.64   0.002% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  31.87 +/- 2.35   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  26.62 +/- 1.49   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.45 +/- 2.05   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  22.20 +/- 0.98   0.000% *  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 = 315.3:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  98.821% * 98.9181% (1.00  10.0 10.00   6.98 315.30) = 100.000%  kept
          HB3   ASP-  44 - HG2   LYS+  74   4.87 +/- 1.42   1.127% *  0.0077% (0.08   1.0  1.00   0.02   6.12) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111  10.02 +/- 1.78   0.005% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.04 +/- 1.01   0.033% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  10.75 +/- 1.60   0.003% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  15.77 +/- 2.43   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  15.82 +/- 2.05   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  11.49 +/- 1.87   0.002% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  10.13 +/- 1.21   0.004% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  15.87 +/- 2.53   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  10.91 +/- 1.21   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  14.39 +/- 1.94   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  17.11 +/- 2.34   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  19.91 +/- 1.50   0.000% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  20.44 +/- 0.98   0.000% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  19.70 +/- 1.38   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.00 +/- 0.90   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  20.27 +/- 1.92   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  23.91 +/- 2.93   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  22.90 +/- 0.97   0.000% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  14.95 +/- 1.63   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  25.21 +/- 2.15   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  15.82 +/- 1.55   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  27.22 +/- 1.93   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.58 +/- 1.98   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.91 +/- 1.81   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 = 315.3:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.73 +/- 0.17  99.206% * 96.7411% (1.00  10.0 10.00   5.40 315.30) = 100.000%  kept
        T QD    LYS+ 106 - HG3   LYS+ 111  11.48 +/- 1.95   0.028% *  0.7025% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 111   9.32 +/- 2.06   0.155% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 111   9.79 +/- 1.67   0.074% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   6.90 +/- 0.52   0.461% *  0.0093% (0.10   1.0  1.00   0.02  40.40) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.37 +/- 2.04   0.023% *  0.0160% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  22.17 +/- 2.21   0.001% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  21.73 +/- 2.03   0.000% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  15.34 +/- 1.46   0.004% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  11.88 +/- 1.48   0.020% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.12 +/- 1.49   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.39 +/- 1.45   0.001% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  13.57 +/- 0.97   0.008% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  18.84 +/- 1.12   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  20.88 +/- 1.52   0.001% *  0.1034% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  20.94 +/- 1.13   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.41 +/- 1.96   0.016% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  22.79 +/- 1.60   0.000% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.44 +/- 1.84   0.000% *  0.2986% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.65 +/- 1.05   0.000% *  0.0319% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.88 +/- 3.30   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  21.48 +/- 2.26   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 = 0.925, support = 5.41, residual support = 304.8:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.75 +/- 0.25  49.931% * 89.7666% (1.00  10.0 10.00   5.40 315.30) =  91.819%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.76 +/- 0.22  49.838% *  8.0133% (0.09  10.0 10.00   5.54 187.42) =   8.181%  kept
          QB    ALA   57 - HG2   LYS+  74   8.48 +/- 1.56   0.197% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.07 +/- 1.41   0.008% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.04 +/- 1.76   0.001% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.37 +/- 2.04   0.010% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.40 +/- 1.41   0.003% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.39 +/- 1.45   0.000% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.75 +/- 1.51   0.002% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  18.94 +/- 1.39   0.001% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.92 +/- 1.54   0.000% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  21.50 +/- 1.47   0.000% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.41 +/- 1.96   0.008% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.88 +/- 3.30   0.000% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.91 +/- 2.34   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.89 +/- 1.74   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 = 315.3:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.46 +/- 0.62  99.182% * 99.7265% (1.00  10.0 10.00   5.44 315.30) = 100.000%  kept
          HB2   CYS   21 - HG2   LYS+  74   7.06 +/- 0.99   0.569% *  0.0060% (0.06   1.0  1.00   0.02  10.26) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74   8.04 +/- 0.85   0.241% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  14.74 +/- 1.73   0.005% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  18.63 +/- 1.24   0.001% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  24.53 +/- 1.45   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 = 315.3:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.01 +/- 0.47  99.911% * 99.4172% (1.00 10.00   6.21 315.30) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  11.51 +/- 2.69   0.069% *  0.0643% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.00 +/- 1.38   0.003% *  0.1523% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  22.60 +/- 1.84   0.001% *  0.2599% (0.26 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.89 +/- 2.61   0.015% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  28.23 +/- 1.47   0.000% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.58 +/- 1.58   0.000% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  30.88 +/- 1.09   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 = 315.3:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.45 +/- 0.47  87.108% * 97.9440% (1.00  10.0 10.00   6.62 315.30) =  99.998%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.62 +/- 1.18   2.712% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - QD    LYS+  38   4.21 +/- 0.95   8.799% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   7.82 +/- 2.45   0.747% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  65   7.59 +/- 1.82   0.312% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   9.05 +/- 2.23   0.136% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.58 +/- 1.70   0.081% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  10.06 +/- 1.52   0.030% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  18.05 +/- 1.31   0.001% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  12.86 +/- 1.00   0.005% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  15.30 +/- 0.76   0.003% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.80 +/- 1.91   0.001% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  13.27 +/- 1.45   0.013% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.77 +/- 1.10   0.001% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.22 +/- 1.64   0.011% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  21.60 +/- 1.84   0.000% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.65 +/- 1.21   0.013% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  14.94 +/- 1.61   0.004% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  16.50 +/- 1.72   0.002% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  29.61 +/- 1.54   0.000% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.99 +/- 1.30   0.002% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.61 +/- 1.48   0.001% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  14.57 +/- 2.06   0.004% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  16.09 +/- 1.22   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  20.26 +/- 1.62   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  26.27 +/- 1.92   0.000% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  21.37 +/- 1.97   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  19.07 +/- 1.00   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  14.16 +/- 0.74   0.004% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  19.35 +/- 2.49   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  16.46 +/- 0.75   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  27.63 +/- 1.92   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  25.25 +/- 2.43   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  19.71 +/- 1.44   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  28.05 +/- 1.36   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.67 +/- 1.73   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  27.59 +/- 1.75   0.000% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  23.93 +/- 1.24   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  26.32 +/- 1.14   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  19.06 +/- 1.63   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  23.55 +/- 1.66   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.15 +/- 0.74   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  33.40 +/- 1.65   0.000% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.92 +/- 1.44   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  28.01 +/- 1.32   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.84 +/- 0.88   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  29.44 +/- 1.96   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  21.09 +/- 1.96   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 0.04 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.852, support = 6.13, residual support = 300.2:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.96 +/- 0.09  24.134% * 90.8110% (1.00  10.0 10.00   6.21 315.30) =  84.203%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.44 +/- 0.17  75.116% *  5.4729% (0.06  10.0 10.00   5.75 219.50) =  15.795%  kept
        T HG2   LYS+  99 - QD    LYS+ 102   8.50 +/- 1.84   0.157% *  0.2129% (0.23   1.0 10.00   0.02   1.48) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  38   6.23 +/- 0.83   0.366% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   93 - HD2   LYS+ 111  11.38 +/- 1.32   0.012% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+ 102  12.08 +/- 2.16   0.009% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.26 +/- 1.08   0.094% *  0.0106% (0.12   1.0  1.00   0.02   1.78) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.30 +/- 0.80   0.064% *  0.0116% (0.13   1.0  1.00   0.02   1.20) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  12.60 +/- 1.62   0.006% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.69 +/- 1.96   0.001% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  21.42 +/- 2.37   0.000% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.42 +/- 1.24   0.005% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  17.15 +/- 1.92   0.001% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.14 +/- 1.14   0.000% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  26.09 +/- 1.98   0.000% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  16.95 +/- 2.04   0.001% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.93 +/- 1.45   0.004% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.79 +/- 1.48   0.000% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.60 +/- 0.80   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.14 +/- 1.35   0.009% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.62 +/- 1.18   0.001% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.71 +/- 1.09   0.000% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.35 +/- 1.53   0.000% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  14.53 +/- 2.50   0.004% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.81 +/- 1.18   0.000% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  16.46 +/- 1.87   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  17.88 +/- 3.08   0.001% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.92 +/- 1.69   0.000% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.60 +/- 1.14   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  18.10 +/- 1.13   0.001% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.50 +/- 1.82   0.000% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.42 +/- 1.56   0.002% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  20.94 +/- 2.96   0.000% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  25.45 +/- 2.26   0.000% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  18.57 +/- 2.32   0.001% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.60 +/- 1.35   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.59 +/- 1.75   0.000% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.55 +/- 1.28   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.94 +/- 2.15   0.000% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.80 +/- 1.11   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  17.57 +/- 1.57   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.67 +/- 1.06   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.51 +/- 1.35   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  22.24 +/- 1.60   0.000% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.58 +/- 1.19   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  20.16 +/- 0.66   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  22.98 +/- 1.47   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  24.40 +/- 2.62   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  22.91 +/- 1.51   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  24.39 +/- 2.15   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  21.11 +/- 0.63   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.82 +/- 0.61   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 = 315.3:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.73 +/- 0.17  94.094% * 98.1177% (1.00  10.0 10.00   5.40 315.30) =  99.998%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   7.57 +/- 1.93   4.864% *  0.0368% (0.38   1.0  1.00   0.02  28.08) =   0.002%
        T HG3   LYS+  99 - QD    LYS+ 102   8.58 +/- 1.83   0.320% *  0.0875% (0.09   1.0 10.00   0.02   1.48) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   6.81 +/- 0.95   0.576% *  0.0252% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.37 +/- 2.04   0.019% *  0.0564% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  17.93 +/- 3.77   0.003% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.88 +/- 1.52   0.001% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  22.17 +/- 2.21   0.001% *  0.2565% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  10.73 +/- 1.45   0.035% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.46 +/- 1.79   0.030% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.39 +/- 1.45   0.001% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.01 +/- 1.01   0.025% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  14.71 +/- 1.60   0.005% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.54 +/- 1.42   0.008% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.66 +/- 1.98   0.000% *  0.3347% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.90 +/- 1.82   0.001% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  20.94 +/- 1.13   0.000% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.92 +/- 1.57   0.007% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  15.36 +/- 1.43   0.004% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  19.91 +/- 3.31   0.001% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  16.30 +/- 2.81   0.003% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.65 +/- 1.05   0.000% *  0.0277% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.44 +/- 1.84   0.000% *  0.0738% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  26.27 +/- 1.38   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  27.16 +/- 1.35   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  23.28 +/- 1.45   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  20.44 +/- 1.28   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.60 +/- 0.96   0.002% *  0.0015% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  24.85 +/- 2.10   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.86 +/- 1.43   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  26.42 +/- 2.38   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  28.80 +/- 2.22   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 0.12 A, kept.
 
    Peak 1402 (1.69, 1.69, 29.56 ppm):
    4 diagonal assignments:
    *     HD2   LYS+ 111 - HD2   LYS+ 111  (1.00)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.02)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.02)  kept
 
    Peak 1403 (1.64, 1.69, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD3   LYS+ 111 - HD2   LYS+ 111
 
    Peak 1404 (3.06, 1.69, 29.56 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.3:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.25 +/- 0.08  99.996% * 99.2899% (1.00  10.0 10.00   4.97 315.30) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  16.24 +/- 1.27   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.09 +/- 1.75   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  20.95 +/- 1.86   0.000% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  18.08 +/- 1.52   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.19 +/- 1.36   0.001% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.92 +/- 1.54   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  19.03 +/- 1.19   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  26.60 +/- 1.57   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  26.00 +/- 1.02   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  18.81 +/- 0.66   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  22.57 +/- 0.62   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 = 315.3:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.16 +/- 0.23  99.677% * 98.7339% (1.00 10.00   6.21 315.30) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  12.35 +/- 2.66   0.258% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.00 +/- 1.38   0.013% *  0.2444% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  27.32 +/- 1.46   0.001% *  0.8848% (0.90 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.89 +/- 2.61   0.049% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  26.73 +/- 1.70   0.002% *  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 = 0.971, support = 6.32, residual support = 299.3:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.31 +/- 0.41  59.462% * 83.7662% (1.00  10.0 10.00   6.62 315.30) =  94.936%  kept
        T HG3   GLN   30 - QD    LYS+  33   4.90 +/- 1.30  19.333% * 13.7016% (0.44   1.0 10.00   0.75   0.16) =   5.049%  kept
          QB    GLU- 114 - HD3   LYS+ 111   4.76 +/- 1.47  12.418% *  0.0474% (0.57   1.0  1.00   0.02   0.02) =   0.011%
          HB2   GLN   30 - QD    LYS+  33   5.59 +/- 0.92   4.959% *  0.0167% (0.20   1.0  1.00   0.02   0.16) =   0.002%
          HB2   GLN   17 - QD    LYS+  65   7.59 +/- 1.82   1.632% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD    LYS+  33   8.22 +/- 1.61   0.418% *  0.0744% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QD    LYS+  33   7.79 +/- 1.66   0.811% *  0.0365% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   9.05 +/- 2.23   0.448% *  0.0180% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  11.57 +/- 1.38   0.049% *  0.0673% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  10.06 +/- 1.52   0.105% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  12.25 +/- 1.74   0.028% *  0.0744% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.58 +/- 1.70   0.210% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  15.05 +/- 2.08   0.009% *  0.0651% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  12.48 +/- 1.20   0.024% *  0.0209% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.80 +/- 1.91   0.004% *  0.1009% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.22 +/- 1.64   0.030% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.77 +/- 1.10   0.001% *  0.2074% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  15.39 +/- 2.28   0.008% *  0.0309% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  13.59 +/- 1.20   0.012% *  0.0186% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  27.52 +/- 1.25   0.000% *  0.7506% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.65 +/- 1.21   0.026% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.99 +/- 1.30   0.004% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  30.00 +/- 1.54   0.000% *  0.4077% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  22.64 +/- 1.41   0.001% *  0.0425% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.67 +/- 1.73   0.004% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  26.99 +/- 1.88   0.000% *  0.0727% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  22.03 +/- 2.31   0.001% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  28.44 +/- 1.86   0.000% *  0.0830% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  28.65 +/- 1.43   0.000% *  0.0830% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  25.91 +/- 2.33   0.000% *  0.0344% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  23.55 +/- 1.66   0.000% *  0.0186% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  26.88 +/- 1.18   0.000% *  0.0408% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.84 +/- 0.88   0.001% *  0.0058% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  33.61 +/- 1.98   0.000% *  0.0751% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  29.43 +/- 2.28   0.000% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  28.33 +/- 1.40   0.000% *  0.0186% (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 = 315.3:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.38 +/- 0.14  99.729% * 96.9774% (1.00  10.0 10.00   6.21 315.30) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   7.73 +/- 0.79   0.114% *  0.0861% (0.89   1.0  1.00   0.02   0.56) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.30 +/- 0.80   0.087% *  0.0201% (0.21   1.0  1.00   0.02   1.20) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33  10.07 +/- 0.74   0.020% *  0.0696% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  13.32 +/- 1.20   0.004% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  12.02 +/- 1.37   0.010% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.10 +/- 0.87   0.004% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  15.27 +/- 1.61   0.002% *  0.0631% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.42 +/- 1.24   0.007% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.53 +/- 2.02   0.001% *  0.0726% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  16.94 +/- 2.91   0.001% *  0.0802% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.14 +/- 1.14   0.000% *  0.2153% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.93 +/- 1.45   0.005% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.79 +/- 1.48   0.000% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  17.45 +/- 2.08   0.001% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  17.71 +/- 1.95   0.001% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  16.67 +/- 2.29   0.001% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  18.64 +/- 2.82   0.001% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  27.81 +/- 1.45   0.000% *  0.8690% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.71 +/- 1.09   0.000% *  0.1922% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.71 +/- 1.82   0.001% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  15.87 +/- 1.39   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.02 +/- 1.24   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.39 +/- 1.81   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.25 +/- 1.31   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.42 +/- 1.56   0.002% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  21.32 +/- 2.21   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.48 +/- 2.02   0.000% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  25.59 +/- 2.47   0.000% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.31 +/- 1.46   0.000% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.60 +/- 1.35   0.000% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.55 +/- 1.28   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  26.16 +/- 2.35   0.000% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.80 +/- 1.11   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  22.24 +/- 1.60   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.68 +/- 1.91   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.58 +/- 1.19   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  22.98 +/- 1.47   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  33.04 +/- 1.99   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 0.02 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.3:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.75 +/- 0.25  92.425% * 97.4498% (1.00  10.0 10.00   5.40 315.30) =  99.997%  kept
          HG    LEU   71 - QD    LYS+  33   6.00 +/- 1.74   4.797% *  0.0359% (0.37   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - QD    LYS+  33   6.87 +/- 1.58   1.149% *  0.0392% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD3   LYS+ 111   8.98 +/- 1.97   0.794% *  0.0366% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          HG13  ILE   19 - QD    LYS+  33   7.74 +/- 2.08   0.735% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.37 +/- 2.04   0.020% *  0.0905% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  14.40 +/- 1.41   0.005% *  0.3277% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  17.82 +/- 4.07   0.004% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  13.48 +/- 1.50   0.009% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  21.50 +/- 1.47   0.000% *  0.3657% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.46 +/- 1.79   0.036% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.39 +/- 1.45   0.001% *  0.2412% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.54 +/- 1.42   0.010% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.90 +/- 1.82   0.001% *  0.0823% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  27.92 +/- 1.54   0.000% *  0.8733% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.92 +/- 1.57   0.009% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  22.24 +/- 2.52   0.000% *  0.0866% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  16.30 +/- 2.81   0.003% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  23.28 +/- 1.45   0.000% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  25.72 +/- 2.31   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  26.70 +/- 1.50   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  27.57 +/- 1.47   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  27.46 +/- 2.68   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  28.49 +/- 1.43   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.04 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 = 315.3:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.52 +/- 0.07  99.954% * 98.5534% (1.00  10.0 10.00   4.97 315.30) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33   9.87 +/- 1.29   0.040% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.09 +/- 1.75   0.001% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  16.53 +/- 1.45   0.002% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  26.16 +/- 1.23   0.000% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  17.94 +/- 1.17   0.001% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.92 +/- 1.54   0.002% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.19 +/- 1.36   0.001% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  26.41 +/- 1.11   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 = 315.3:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.07 +/- 0.40  99.738% * 99.9354% (1.00 10.00   5.62 315.30) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111   9.77 +/- 2.46   0.262% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.3:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.30 +/- 0.73  89.351% * 98.9314% (1.00 10.00   6.06 315.30) =  99.993%  kept
          QB    GLU- 114 - QE    LYS+ 111   4.91 +/- 0.96  10.590% *  0.0560% (0.57  1.00   0.02   0.02) =   0.007%
          HB    ILE  119 - QE    LYS+ 111  12.30 +/- 1.15   0.052% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  26.58 +/- 1.14   0.001% *  0.4816% (0.49 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  24.09 +/- 1.98   0.001% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  24.93 +/- 1.75   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  25.41 +/- 1.28   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  23.20 +/- 2.47   0.001% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.70 +/- 0.98   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  29.70 +/- 1.42   0.000% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  25.18 +/- 0.87   0.001% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.78 +/- 1.81   0.000% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.3:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.78 +/- 0.33  99.905% * 99.2615% (1.00  10.0 10.00   5.62 315.30) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111  10.13 +/- 0.94   0.059% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  15.36 +/- 1.80   0.005% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  14.60 +/- 2.19   0.008% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  15.46 +/- 1.54   0.005% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  13.68 +/- 1.02   0.010% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  15.95 +/- 1.49   0.004% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.42 +/- 1.14   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  22.39 +/- 1.80   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.55 +/- 1.80   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.88 +/- 1.84   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  25.70 +/- 1.35   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  29.86 +/- 1.47   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 = 0.996, support = 5.44, residual support = 313.6:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.46 +/- 0.62  93.686% * 91.2722% (1.00  10.0 10.00   5.44 315.30) =  99.401%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.03 +/- 1.95   6.307% *  8.1671% (0.38   1.0  1.00   4.77  28.08) =   0.599%  kept
        T HG2   LYS+  74 - QE    LYS+ 111  18.63 +/- 1.24   0.001% *  0.3426% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  15.54 +/- 3.40   0.004% *  0.0905% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  23.86 +/- 1.30   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.52 +/- 1.78   0.000% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.61 +/- 1.37   0.000% *  0.0375% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  25.12 +/- 1.42   0.000% *  0.0181% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.3:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.25 +/- 0.08  99.930% * 98.3525% (1.00  10.0 10.00   4.97 315.30) = 100.000%  kept
          HG3   PRO   93 - QE    LYS+ 111   9.32 +/- 1.37   0.032% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 111   9.65 +/- 1.40   0.026% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  11.40 +/- 1.88   0.010% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  20.95 +/- 1.86   0.000% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.09 +/- 1.75   0.000% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.16 +/- 1.09   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.60 +/- 1.80   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  26.60 +/- 1.57   0.000% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  21.73 +/- 1.23   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.46 +/- 2.09   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.3:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.52 +/- 0.07  99.973% * 98.5544% (1.00  10.0 10.00   4.97 315.30) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  11.50 +/- 1.57   0.021% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.09 +/- 1.75   0.001% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  14.42 +/- 1.09   0.003% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  17.84 +/- 1.15   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  26.16 +/- 1.23   0.000% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  18.25 +/- 1.02   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.46 +/- 2.09   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 = 231.9:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.80 +/- 0.22  99.784% * 98.3538% (1.00  10.0 10.00   6.00 231.94) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 112   8.97 +/- 1.39   0.183% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    LYS+ 112  17.38 +/- 2.10   0.003% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.79 +/- 1.63   0.006% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  16.74 +/- 2.33   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  13.59 +/- 1.76   0.013% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  18.01 +/- 1.63   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  20.06 +/- 1.80   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.52 +/- 1.25   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.64 +/- 1.83   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.51 +/- 2.25   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.85 +/- 2.50   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  28.10 +/- 2.07   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  29.40 +/- 2.48   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.9:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.01 +/- 0.77  99.937% * 99.8441% (1.00  10.0 10.00   6.08 231.94) = 100.000%  kept
          QG1   VAL   42 - HA    LYS+ 112  12.78 +/- 1.76   0.036% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HA    LYS+ 112  13.66 +/- 1.09   0.028% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.9:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.18 +/- 0.52  99.726% * 99.8009% (1.00  10.0 10.00   5.76 231.94) = 100.000%  kept
          HG    LEU   63 - HA    LYS+ 112  11.18 +/- 1.97   0.118% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112   9.96 +/- 0.74   0.149% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  17.68 +/- 2.19   0.005% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  22.57 +/- 2.01   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 0.07 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.814, support = 6.06, residual support = 231.9:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.66 +/- 0.28  82.413% * 43.2573% (0.76  10.0 10.00   6.24 231.94) =  79.018%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   3.94 +/- 0.80  16.723% * 56.6026% (1.00   1.0 10.00   5.41 231.94) =  20.981%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.15 +/- 0.89   0.840% *  0.0212% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          QG2   THR   94 - HA    LYS+ 112  11.22 +/- 1.19   0.020% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  18.39 +/- 3.33   0.002% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  22.29 +/- 2.00   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 = 231.9:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.80 +/- 0.22  99.559% * 98.8850% (1.00  10.0 10.00   6.00 231.94) = 100.000%  kept
          HB2   HIS  122 - HB    VAL   42   9.52 +/- 2.20   0.424% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  17.38 +/- 2.10   0.002% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  13.71 +/- 1.12   0.009% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  16.04 +/- 1.39   0.003% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  17.17 +/- 1.54   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 = 5.01, residual support = 126.2:
      O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  79.872% * 40.6012% (0.70  10.0 10.00   4.39  88.32) =  73.647%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.74 +/- 0.25  20.125% * 57.6594% (1.00  10.0 10.00   6.74 231.94) =  26.353%  kept
        T QG1   VAL   42 - HB2   LYS+ 112  14.78 +/- 1.76   0.001% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  14.75 +/- 1.40   0.001% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.47 +/- 0.38   0.001% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  19.16 +/- 2.81   0.000% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.9:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.68 +/- 0.26  99.619% * 98.8037% (1.00  10.0 10.00   5.76 231.94) = 100.000%  kept
          HG    LEU   63 - HB    VAL   42   8.54 +/- 1.61   0.246% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   9.31 +/- 0.74   0.072% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  13.11 +/- 2.18   0.016% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  19.54 +/- 2.34   0.001% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.69 +/- 0.63   0.017% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  13.20 +/- 1.28   0.011% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  11.73 +/- 0.73   0.017% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.93 +/- 2.08   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  24.46 +/- 1.89   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 0.01 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.779, support = 6.23, residual support = 231.9:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  94.919% * 42.8460% (0.76  10.0 10.00   6.24 231.94) =  93.730%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.23 +/- 0.64   4.853% * 56.0644% (1.00  10.0 10.00   6.10 231.94) =   6.270%  kept
          HB3   LEU   71 - HB    VAL   42   5.29 +/- 0.26   0.133% *  0.0468% (0.84   1.0  1.00   0.02   5.27) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+ 112   6.61 +/- 1.19   0.091% *  0.0210% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          QG2   THR   94 - HB    VAL   42   9.94 +/- 0.54   0.003% *  0.0378% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  19.62 +/- 2.53   0.000% *  0.4726% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  13.07 +/- 1.16   0.001% *  0.0449% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  19.59 +/- 2.05   0.000% *  0.3612% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  20.10 +/- 3.62   0.000% *  0.0173% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  18.24 +/- 2.04   0.000% *  0.0146% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  20.06 +/- 1.68   0.000% *  0.0177% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  24.62 +/- 2.11   0.000% *  0.0556% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.9:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.01 +/- 0.77  99.985% * 99.8459% (1.00  10.0 10.00   6.08 231.94) = 100.000%  kept
          HB    THR   46 - HG2   LYS+ 112  15.03 +/- 2.04   0.010% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG2   LYS+ 112  16.91 +/- 1.92   0.006% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 231.9:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.74 +/- 0.25  99.879% * 98.3538% (1.00  10.0 10.00   6.74 231.94) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112  10.20 +/- 1.89   0.102% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  19.16 +/- 2.81   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  17.11 +/- 3.28   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  17.15 +/- 1.69   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  14.97 +/- 2.65   0.007% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  18.89 +/- 1.84   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  21.57 +/- 2.65   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.56 +/- 1.72   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  20.59 +/- 2.14   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.71 +/- 2.63   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  27.19 +/- 2.68   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  29.75 +/- 2.79   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  30.15 +/- 3.03   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 = 231.9:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.996% * 99.8009% (1.00  10.0 10.00   6.98 231.94) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  12.52 +/- 2.78   0.003% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.75 +/- 0.95   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  19.93 +/- 2.41   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  23.87 +/- 2.41   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 = 0.861, support = 6.8, residual support = 231.9:
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.63 +/- 0.25  65.156% * 43.2573% (0.76  10.0 10.00   6.99 231.94) =  58.954%  kept
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.94 +/- 0.18  34.669% * 56.6026% (1.00  10.0 10.00   6.52 231.94) =  41.046%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.61 +/- 0.93   0.168% *  0.0212% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  12.86 +/- 1.49   0.007% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  19.67 +/- 2.91   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  23.95 +/- 2.79   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.9:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.18 +/- 0.52  99.981% * 99.8459% (1.00  10.0 10.00   5.76 231.94) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  15.19 +/- 1.88   0.013% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  17.29 +/- 1.42   0.006% *  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 = 231.9:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.68 +/- 0.26  99.859% * 98.3538% (1.00  10.0 10.00   5.76 231.94) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 112  10.21 +/- 1.69   0.122% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG3   LYS+ 112  19.54 +/- 2.34   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  17.64 +/- 2.80   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  17.16 +/- 1.42   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  15.25 +/- 2.33   0.008% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  18.81 +/- 1.91   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  21.87 +/- 2.26   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.88 +/- 1.40   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  20.76 +/- 1.73   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  21.88 +/- 2.16   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  27.30 +/- 2.33   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  30.09 +/- 2.18   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  30.54 +/- 2.87   0.000% *  0.0517% (0.53   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 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 231.9:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.999% * 99.8441% (1.00  10.0 10.00   6.98 231.94) = 100.000%  kept
          QB    ALA   47 - HG3   LYS+ 112  14.07 +/- 1.61   0.001% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HG3   LYS+ 112  14.56 +/- 1.98   0.000% *  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 = 0.931, support = 5.69, residual support = 231.9:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.42 +/- 0.09  64.566% * 56.6026% (1.00  10.0 10.00   5.55 231.94) =  70.647%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.72 +/- 0.29  35.103% * 43.2573% (0.76  10.0  1.00   6.04 231.94) =  29.353%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.07 +/- 1.12   0.325% *  0.0212% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  12.84 +/- 1.33   0.004% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  19.47 +/- 3.29   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  24.35 +/- 2.38   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 = 5.41, residual support = 231.9:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   3.94 +/- 0.80  99.934% * 99.8459% (1.00 10.00   5.41 231.94) = 100.000%  kept
          HB    THR   46 - HD2   LYS+ 112  15.49 +/- 1.72   0.043% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HD2   LYS+ 112  17.25 +/- 2.05   0.023% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 231.9:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.23 +/- 0.64  99.644% * 98.3538% (1.00  10.0 10.00   6.10 231.94) = 100.000%  kept
          HB3   PRO   93 - HD2   LYS+ 112  10.70 +/- 1.82   0.288% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HD2   LYS+ 112  19.62 +/- 2.53   0.004% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  17.36 +/- 3.42   0.010% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  17.53 +/- 1.54   0.008% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  15.49 +/- 2.45   0.024% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  19.13 +/- 2.17   0.008% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  22.02 +/- 2.49   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  17.72 +/- 1.87   0.006% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  20.96 +/- 1.81   0.003% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  22.14 +/- 2.19   0.002% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  27.54 +/- 2.42   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  30.12 +/- 2.50   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  30.40 +/- 3.13   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 = 6.52, residual support = 231.9:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.94 +/- 0.18  99.979% * 99.8441% (1.00  10.0 10.00   6.52 231.94) = 100.000%  kept
          QG1   VAL   42 - HD2   LYS+ 112  14.64 +/- 2.10   0.010% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HD2   LYS+ 112  14.38 +/- 1.76   0.010% *  0.0725% (0.73   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 = 5.55, residual support = 231.9:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.42 +/- 0.09  99.981% * 99.8009% (1.00  10.0 10.00   5.55 231.94) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  12.95 +/- 2.66   0.009% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  12.06 +/- 1.35   0.010% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  20.29 +/- 1.97   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  24.23 +/- 2.33   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 = 14.3:
    * O T QB    ASP- 113 - HA    ASP- 113   2.49 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.27) = 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 = 14.3:
    * O T HA    ASP- 113 - QB    ASP- 113   2.49 +/- 0.09  99.965% * 99.1713% (1.00  10.0 10.00   2.00  14.27) = 100.000%  kept
        T HA    PHE   59 - QB    ASP- 113  11.38 +/- 1.00   0.013% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    ASP- 113  10.60 +/- 0.95   0.019% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  15.07 +/- 0.44   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  21.04 +/- 1.51   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.25 +/- 1.48   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 = 3.25, residual support = 49.2:
    * O T QB    GLU- 114 - HA    GLU- 114   2.25 +/- 0.14  74.650% * 63.8790% (0.97  10.0 10.00   3.15  44.48) =  96.251%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.77 +/- 0.14  22.341% *  6.0284% (0.09  10.0 10.00   6.21 227.98) =   2.719%  kept
        T QB    GLU- 114 - HA    LEU  115   4.48 +/- 0.37   1.733% * 29.3979% (0.44   1.0 10.00   4.87  16.14) =   1.028%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.64 +/- 0.27   0.320% *  0.1310% (0.20   1.0 10.00   0.02  16.14) =   0.001%
          HB2   LYS+ 111 - HA    GLU- 114   5.23 +/- 1.09   0.812% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HA    LEU  115   6.92 +/- 1.19   0.132% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  11.17 +/- 1.37   0.008% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  16.98 +/- 2.45   0.001% *  0.0264% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.61 +/- 1.25   0.001% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  19.99 +/- 2.41   0.000% *  0.0574% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.99 +/- 1.07   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.02 +/- 1.77   0.000% *  0.0125% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.33 +/- 0.88   0.000% *  0.0611% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  21.18 +/- 1.89   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  20.33 +/- 1.38   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  20.81 +/- 1.17   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  24.36 +/- 1.07   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  24.81 +/- 1.26   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  27.75 +/- 1.44   0.000% *  0.0288% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  31.51 +/- 1.25   0.000% *  0.0626% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.49 +/- 1.89   0.000% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  26.51 +/- 1.67   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 = 0.833, support = 3.7, residual support = 35.8:
    * O T QG    GLU- 114 - HA    GLU- 114   3.04 +/- 0.36  51.060% * 68.1764% (1.00  10.0 10.00   3.42  44.48) =  69.409%  kept
        T QG    GLU- 114 - HA    LEU  115   3.60 +/- 1.21  48.900% * 31.3756% (0.46   1.0 10.00   4.34  16.14) =  30.591%  kept
          HG2   MET   92 - HA    GLU- 114  15.56 +/- 2.39   0.008% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    LEU  115  13.79 +/- 2.02   0.013% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  13.82 +/- 2.05   0.016% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  15.99 +/- 2.16   0.004% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  22.27 +/- 1.01   0.000% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  26.19 +/- 0.95   0.000% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.41 +/- 1.69   0.000% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  28.21 +/- 1.93   0.000% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  33.07 +/- 1.28   0.000% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  29.42 +/- 1.45   0.000% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  34.96 +/- 1.65   0.000% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  31.44 +/- 1.60   0.000% *  0.0107% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.96, support = 3.17, residual support = 44.0:
    * O T HA    GLU- 114 - QB    GLU- 114   2.25 +/- 0.14  97.514% * 59.0968% (0.97  10.0 10.00   3.15  44.48) =  98.289%  kept
        T HA    LEU  115 - QB    GLU- 114   4.48 +/- 0.37   2.472% * 40.5940% (0.66   1.0 10.00   4.87  16.14) =   1.711%  kept
        T HA    ARG+  54 - QB    GLU- 114  14.09 +/- 1.22   0.002% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QB    GLU- 114  11.16 +/- 1.50   0.012% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  19.92 +/- 1.58   0.000% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.10 +/- 1.13   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.05 +/- 1.01   0.000% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.53 +/- 0.82   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 = 3.68, residual support = 44.5:
    * O T QG    GLU- 114 - QB    GLU- 114   2.12 +/- 0.04  99.983% * 99.1187% (0.96  10.0 10.00   3.68  44.48) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  11.98 +/- 2.23   0.013% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  12.61 +/- 2.07   0.003% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  28.46 +/- 1.15   0.000% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  22.06 +/- 0.81   0.000% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  28.01 +/- 1.37   0.000% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  31.50 +/- 1.59   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 = 0.874, support = 3.79, residual support = 33.2:
    * O T HA    GLU- 114 - QG    GLU- 114   3.04 +/- 0.36  51.049% * 59.1519% (1.00  10.0 10.00   3.42  44.48) =  60.339%  kept
        T HA    LEU  115 - QG    GLU- 114   3.60 +/- 1.21  48.849% * 40.6319% (0.69   1.0 10.00   4.34  16.14) =  39.661%  kept
          HA    CYS   53 - QG    GLU- 114  10.32 +/- 1.86   0.088% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.29 +/- 1.81   0.013% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.47 +/- 1.95   0.001% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  21.32 +/- 1.63   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.22 +/- 1.62   0.000% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.58 +/- 1.35   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 0.01 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.963, support = 3.68, residual support = 44.5:
    * O T QB    GLU- 114 - QG    GLU- 114   2.12 +/- 0.04  85.558% * 98.5153% (0.96  10.0 10.00   3.68  44.48) =  99.990%  kept
          HB2   LYS+ 111 - QG    GLU- 114   3.66 +/- 0.96   9.518% *  0.0741% (0.72   1.0  1.00   0.02   0.02) =   0.008%
          HB2   LEU  115 - QG    GLU- 114   4.16 +/- 1.19   4.920% *  0.0202% (0.20   1.0  1.00   0.02  16.14) =   0.001%
          HG3   PRO   58 - QG    GLU- 114  12.31 +/- 1.34   0.003% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  18.19 +/- 2.34   0.000% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  26.22 +/- 1.70   0.000% *  0.9656% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  19.48 +/- 1.37   0.000% *  0.0942% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.18 +/- 1.91   0.000% *  0.0420% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  21.20 +/- 1.82   0.000% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  21.25 +/- 1.32   0.000% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  22.21 +/- 1.73   0.000% *  0.0138% (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 = 0.605, support = 5.44, residual support = 182.5:
    * O T HB2   LEU  115 - HA    LEU  115   2.77 +/- 0.14  18.419% * 63.8902% (0.84  10.0 10.00   6.21 227.98) =  68.746%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.25 +/- 0.14  62.858% *  5.3954% (0.07  10.0 10.00   3.15  44.48) =  19.812%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.86 +/- 0.23  17.039% *  9.9598% (0.13  10.0  1.00   4.76 168.93) =   9.914%  kept
        T QB    GLU- 114 - HA    LEU  115   4.48 +/- 0.37   1.324% * 19.7195% (0.26   1.0 10.00   4.87  16.14) =   1.525%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.64 +/- 0.27   0.260% *  0.1748% (0.23   1.0 10.00   0.02  16.14) =   0.003%
          HG3   PRO   58 - HA    ARG+  54   7.76 +/- 2.02   0.081% *  0.0357% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HA    ARG+  54  11.77 +/- 1.26   0.004% *  0.3582% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  11.17 +/- 1.37   0.006% *  0.0637% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  14.09 +/- 1.22   0.001% *  0.1106% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  14.42 +/- 2.01   0.001% *  0.0512% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  14.14 +/- 1.27   0.001% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  16.03 +/- 1.31   0.001% *  0.0336% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.52 +/- 1.34   0.001% *  0.0178% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.61 +/- 1.25   0.001% *  0.0174% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  16.98 +/- 2.45   0.001% *  0.0286% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  18.96 +/- 1.19   0.000% *  0.0287% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.99 +/- 1.07   0.000% *  0.0240% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  18.09 +/- 2.07   0.000% *  0.0140% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  18.41 +/- 1.41   0.000% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.61 +/- 1.25   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  19.99 +/- 2.41   0.000% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.61 +/- 1.34   0.000% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  22.94 +/- 1.56   0.000% *  0.0161% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.33 +/- 0.88   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 = 0.41, support = 6.27, residual support = 228.0:
      O T HB3   LEU  115 - HA    LEU  115   2.37 +/- 0.29  84.557% * 25.2077% (0.26  10.0 10.00   6.35 227.98) =  67.476%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.56 +/- 0.46  14.501% * 70.8443% (0.72  10.0 10.00   6.11 227.98) =  32.522%  kept
        T HG    LEU  115 - HA    GLU- 114   6.93 +/- 0.72   0.171% *  0.1938% (0.20   1.0 10.00   0.02  16.14) =   0.001%
        T HB3   LEU  115 - HA    GLU- 114   6.24 +/- 0.30   0.312% *  0.0690% (0.07   1.0 10.00   0.02  16.14) =   0.001%
        T HG    LEU  115 - HA    ARG+  54  11.53 +/- 1.61   0.019% *  0.3972% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU  115   7.54 +/- 0.32   0.081% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU- 114   7.20 +/- 0.45   0.116% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  11.46 +/- 1.20   0.010% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   8.28 +/- 1.39   0.078% *  0.0182% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  15.65 +/- 1.72   0.001% *  0.8095% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  14.66 +/- 3.01   0.003% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   8.05 +/- 2.06   0.135% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  14.16 +/- 1.83   0.002% *  0.2521% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  12.58 +/- 1.33   0.006% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  18.47 +/- 1.44   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  19.44 +/- 0.94   0.000% *  0.2786% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  22.92 +/- 1.20   0.000% *  0.4539% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  16.90 +/- 1.38   0.001% *  0.0690% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  19.86 +/- 1.63   0.000% *  0.1883% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  16.23 +/- 0.97   0.001% *  0.0495% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  17.34 +/- 1.31   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.52 +/- 1.20   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  21.87 +/- 1.34   0.000% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  15.30 +/- 1.01   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  17.62 +/- 1.35   0.001% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  22.89 +/- 0.76   0.000% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  18.09 +/- 3.33   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  20.82 +/- 2.37   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  20.78 +/- 0.94   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.75 +/- 0.91   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 = 0.826, support = 6.18, residual support = 224.8:
    *   T QD1   LEU  115 - HA    LEU  115   3.74 +/- 0.50  93.475% * 78.0672% (0.84 10.00   6.21 227.98) =  98.481%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.40 +/- 0.66   5.246% * 21.3596% (0.23 10.00   4.44  16.14) =   1.512%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.71 +/- 1.57   1.049% *  0.4377% (0.47 10.00   0.02   0.02) =   0.006%
          QG1   VAL   75 - HA    ARG+  54  11.92 +/- 1.54   0.176% *  0.0414% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    LEU  115  14.11 +/- 1.09   0.042% *  0.0738% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  17.19 +/- 0.84   0.012% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.802, support = 7.42, residual support = 226.4:
    *   T QD2   LEU  115 - HA    LEU  115   2.79 +/- 0.51  91.978% * 77.6784% (0.81 10.00   7.45 227.98) =  99.257%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.84 +/- 0.43   2.500% * 21.2532% (0.22 10.00   4.44  16.14) =   0.738%  kept
          QD1   LEU   63 - HA    LEU  115   5.81 +/- 1.19   4.238% *  0.0761% (0.79  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HA    LEU  115   7.23 +/- 1.19   0.896% *  0.0302% (0.31  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HA    ARG+  54  10.31 +/- 1.29   0.059% *  0.4355% (0.45 10.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    GLU- 114   9.19 +/- 1.03   0.148% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  11.37 +/- 0.73   0.032% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  12.41 +/- 1.74   0.019% *  0.0615% (0.64  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114  10.10 +/- 1.14   0.084% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  15.17 +/- 0.90   0.005% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  15.45 +/- 1.57   0.005% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  13.39 +/- 1.42   0.012% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  13.38 +/- 0.94   0.011% *  0.0169% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  16.28 +/- 1.02   0.003% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  18.11 +/- 1.58   0.002% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  18.34 +/- 2.59   0.002% *  0.0248% (0.26  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  16.84 +/- 1.54   0.003% *  0.0139% (0.14  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  18.39 +/- 0.73   0.001% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  21.04 +/- 0.91   0.001% *  0.0345% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  21.13 +/- 1.59   0.001% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  20.88 +/- 2.56   0.001% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.21, residual support = 228.0:
    * O T HA    LEU  115 - HB2   LEU  115   2.77 +/- 0.14  98.440% * 98.0930% (0.84  10.0 10.00   6.21 227.98) =  99.993%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.64 +/- 0.27   1.535% *  0.4006% (0.34   1.0 10.00   0.02  16.14) =   0.006%
        T HA    ARG+  54 - HB2   LEU  115  11.77 +/- 1.26   0.022% *  1.0841% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  17.77 +/- 0.81   0.002% *  0.0981% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  23.93 +/- 1.95   0.000% *  0.1019% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  23.56 +/- 2.06   0.000% *  0.0807% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  22.42 +/- 1.62   0.000% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  23.26 +/- 2.46   0.000% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  29.88 +/- 2.09   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 = 0.426, support = 6.15, residual support = 228.0:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  91.306% * 25.8976% (0.31  10.0 10.00   6.15 227.98) =  78.909%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.66 +/- 0.25   8.683% * 72.7830% (0.87  10.0 10.00   6.18 227.98) =  21.091%  kept
          QB    ALA  120 - HB2   LEU  115   8.63 +/- 0.61   0.007% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  17.79 +/- 2.03   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  16.38 +/- 2.10   0.000% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.52 +/- 1.39   0.003% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  16.03 +/- 2.83   0.000% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  16.67 +/- 1.57   0.000% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.73 +/- 1.25   0.000% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  20.30 +/- 1.38   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 = 228.0:
    * O T QD1   LEU  115 - HB2   LEU  115   2.33 +/- 0.26  99.998% * 99.9055% (1.00  10.0 10.00   6.00 227.98) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  14.66 +/- 1.49   0.002% *  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 = 7.23, residual support = 228.0:
    * O T QD2   LEU  115 - HB2   LEU  115   2.90 +/- 0.41  98.080% * 99.5578% (0.97  10.0 10.00   7.23 227.98) =  99.998%  kept
          QD1   LEU   63 - HB2   LEU  115   6.91 +/- 1.63   1.444% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   LEU  115   8.46 +/- 1.69   0.459% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   LEU  115  14.54 +/- 1.80   0.009% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  16.41 +/- 1.30   0.004% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  18.73 +/- 1.59   0.002% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  19.07 +/- 2.53   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 = 6.11, residual support = 227.9:
    * O T HA    LEU  115 - HG    LEU  115   3.56 +/- 0.46  95.810% * 97.1402% (0.72  10.0 10.00   6.11 227.98) =  99.986%  kept
        T HA    GLU- 114 - HG    LEU  115   6.93 +/- 0.72   2.533% *  0.3967% (0.30   1.0 10.00   0.02  16.14) =   0.011%
        T HA    ARG+  54 - HG    LEU  115  11.53 +/- 1.61   0.205% *  1.0736% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HG    LEU   40   8.42 +/- 0.69   0.794% *  0.0271% (0.20   1.0  1.00   0.02   0.12) =   0.000%
        T HA    LEU  115 - HG    LEU   40  14.16 +/- 1.83   0.033% *  0.3299% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40   9.72 +/- 1.59   0.471% *  0.0192% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  13.62 +/- 2.44   0.053% *  0.0330% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  16.90 +/- 1.38   0.011% *  0.1347% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  13.97 +/- 1.33   0.039% *  0.0343% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  17.08 +/- 1.25   0.010% *  0.0971% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  21.87 +/- 1.34   0.002% *  0.3646% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.21 +/- 0.63   0.031% *  0.0122% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  23.92 +/- 2.37   0.001% *  0.1009% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  23.17 +/- 2.10   0.002% *  0.0799% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  22.81 +/- 2.34   0.002% *  0.0478% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  23.42 +/- 2.65   0.001% *  0.0566% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  23.73 +/- 1.71   0.002% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  29.54 +/- 2.15   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 = 6.18, residual support = 228.0:
    * O T HB2   LEU  115 - HG    LEU  115   2.66 +/- 0.25  98.585% * 98.2266% (0.87  10.0 10.00   6.18 227.98) =  99.999%  kept
        T HB2   LEU   67 - HG    LEU   40   8.63 +/- 2.23   0.283% *  0.2671% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG    LEU  115   6.44 +/- 0.85   0.825% *  0.0303% (0.27   1.0  1.00   0.02  16.14) =   0.000%
          HG3   PRO   58 - HG    LEU  115   8.57 +/- 1.56   0.174% *  0.0980% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  14.76 +/- 1.78   0.006% *  0.7865% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  10.46 +/- 2.10   0.079% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  16.38 +/- 2.10   0.003% *  0.3336% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.71 +/- 1.75   0.012% *  0.0273% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  15.66 +/- 1.50   0.004% *  0.0517% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  12.09 +/- 0.70   0.013% *  0.0125% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  13.39 +/- 1.26   0.008% *  0.0176% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  17.34 +/- 2.83   0.003% *  0.0440% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.34 +/- 1.24   0.003% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.44 +/- 1.64   0.001% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  20.07 +/- 0.98   0.001% *  0.0333% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  23.91 +/- 1.71   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 0.06 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 = 228.0:
    * O T QD1   LEU  115 - HG    LEU  115   2.10 +/- 0.01  99.996% * 99.5358% (0.87  10.0 10.00   5.91 227.98) = 100.000%  kept
        T QD1   LEU  115 - HG    LEU   40  13.91 +/- 1.61   0.002% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU  115  14.72 +/- 2.06   0.001% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  13.68 +/- 0.89   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 = 7.1, residual support = 228.0:
    * O T QD2   LEU  115 - HG    LEU  115   2.09 +/- 0.01  97.301% * 99.0740% (0.84  10.0 10.00   7.10 227.98) =  99.999%  kept
          QD1   LEU  104 - HG    LEU   40   4.90 +/- 0.91   2.250% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HG    LEU  115   6.58 +/- 1.24   0.184% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU  115   7.99 +/- 1.42   0.063% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   7.83 +/- 1.03   0.048% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   7.17 +/- 1.41   0.119% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  12.49 +/- 2.16   0.004% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   8.55 +/- 0.83   0.026% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  14.51 +/- 1.97   0.001% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  16.18 +/- 1.54   0.001% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  15.89 +/- 2.52   0.001% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  18.81 +/- 1.84   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  19.35 +/- 2.78   0.000% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  16.49 +/- 3.36   0.001% *  0.0108% (0.09   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 = 0.824, support = 6.17, residual support = 223.2:
    *   T HA    LEU  115 - QD1   LEU  115   3.74 +/- 0.50  93.638% * 70.2377% (0.84 10.00   6.21 227.98) =  97.748%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.40 +/- 0.66   5.254% * 28.6837% (0.34 10.00   4.44  16.14) =   2.240%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.71 +/- 1.57   1.051% *  0.7762% (0.92 10.00   0.02   0.02) =   0.012%
          HA    ALA  124 - QD1   LEU  115  14.70 +/- 0.94   0.032% *  0.0702% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  20.09 +/- 1.90   0.005% *  0.0729% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  19.64 +/- 1.63   0.006% *  0.0578% (0.69  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  18.72 +/- 1.90   0.008% *  0.0346% (0.41  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  20.07 +/- 1.88   0.006% *  0.0409% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  24.99 +/- 1.67   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 = 228.0:
    * O T HB2   LEU  115 - QD1   LEU  115   2.33 +/- 0.26  98.356% * 99.6279% (1.00  10.0 10.00   6.00 227.98) =  99.999%  kept
          HG3   PRO   58 - QD1   LEU  115   6.33 +/- 1.62   0.950% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   LEU  115   5.78 +/- 0.44   0.624% *  0.0307% (0.31   1.0  1.00   0.02  16.14) =   0.000%
          HB3   ARG+  54 - QD1   LEU  115   9.67 +/- 1.58   0.052% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  12.49 +/- 1.32   0.007% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  12.80 +/- 1.64   0.007% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  14.73 +/- 2.17   0.003% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  16.14 +/- 1.66   0.001% *  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 = 0.801, support = 5.94, residual support = 228.0:
    * O T HG    LEU  115 - QD1   LEU  115   2.10 +/- 0.01  72.542% * 72.7830% (0.87  10.0 10.00   5.91 227.98) =  88.158%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.58 +/- 0.40  27.387% * 25.8976% (0.31  10.0 10.00   6.15 227.98) =  11.842%  kept
          QB    ALA  120 - QD1   LEU  115   7.51 +/- 0.85   0.053% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  14.95 +/- 1.47   0.001% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  13.91 +/- 1.61   0.001% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.69 +/- 1.17   0.010% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  13.14 +/- 1.79   0.002% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  12.82 +/- 1.77   0.002% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.81 +/- 0.91   0.002% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.58 +/- 1.59   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 = 7.23, residual support = 228.0:
    * O T QD2   LEU  115 - QD1   LEU  115   1.99 +/- 0.06  99.476% * 99.5578% (0.97  10.0 10.00   7.23 227.98) = 100.000%  kept
          QD1   LEU   63 - QD1   LEU  115   5.64 +/- 0.95   0.393% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU  115   6.91 +/- 1.05   0.126% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.70 +/- 1.26   0.002% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  13.55 +/- 1.37   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  15.54 +/- 1.51   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  16.07 +/- 1.99   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 = 0.8, support = 7.41, residual support = 225.5:
    *   T HA    LEU  115 - QD2   LEU  115   2.79 +/- 0.51  97.093% * 70.2377% (0.81 10.00   7.45 227.98) =  98.826%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.84 +/- 0.43   2.823% * 28.6837% (0.33 10.00   4.44  16.14) =   1.173%  kept
        T HA    ARG+  54 - QD2   LEU  115  10.31 +/- 1.29   0.064% *  0.7762% (0.89 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - QD2   LEU  115  12.94 +/- 0.81   0.015% *  0.0702% (0.81  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  18.47 +/- 2.20   0.001% *  0.0578% (0.66  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  19.55 +/- 2.53   0.001% *  0.0729% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  18.77 +/- 2.45   0.001% *  0.0409% (0.47  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  19.49 +/- 1.89   0.001% *  0.0346% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.77 +/- 2.27   0.000% *  0.0260% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.23, residual support = 228.0:
    * O T HB2   LEU  115 - QD2   LEU  115   2.90 +/- 0.41  96.692% * 99.6279% (0.97  10.0 10.00   7.23 227.98) =  99.998%  kept
          HG3   PRO   58 - QD2   LEU  115   7.33 +/- 1.37   1.215% *  0.0994% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD2   LEU  115   5.74 +/- 0.36   1.918% *  0.0307% (0.30   1.0  1.00   0.02  16.14) =   0.001%
          HB2   LEU   67 - QD2   LEU  115  11.34 +/- 1.53   0.055% *  0.0798% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  13.30 +/- 2.24   0.041% *  0.0447% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  12.57 +/- 1.56   0.025% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  11.44 +/- 1.32   0.047% *  0.0277% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  15.67 +/- 1.91   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 = 0.791, support = 7.12, residual support = 228.0:
    * O T HG    LEU  115 - QD2   LEU  115   2.09 +/- 0.01  79.027% * 72.7830% (0.84  10.0 10.00   7.10 227.98) =  91.450%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.72 +/- 0.37  20.765% * 25.8976% (0.30  10.0 10.00   7.34 227.98) =   8.550%  kept
          QB    ALA  120 - QD2   LEU  115   6.08 +/- 0.64   0.161% *  0.0728% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  13.50 +/- 2.01   0.002% *  0.8316% (0.96   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  12.49 +/- 2.16   0.003% *  0.2590% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.10 +/- 1.10   0.031% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  11.58 +/- 2.16   0.005% *  0.0345% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  13.26 +/- 1.89   0.002% *  0.0509% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.42 +/- 0.98   0.003% *  0.0233% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  16.41 +/- 1.83   0.000% *  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 = 7.23, residual support = 228.0:
    * O T QD1   LEU  115 - QD2   LEU  115   1.99 +/- 0.06  99.997% * 99.9055% (0.97  10.0 10.00   7.23 227.98) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  12.40 +/- 1.98   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 = 5.3, residual support = 123.5:
    * O T HB2   GLN  116 - HA    GLN  116   2.90 +/- 0.08  99.821% * 98.6426% (1.00  10.0 10.00   5.30 123.52) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116   9.67 +/- 1.79   0.157% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  12.51 +/- 1.86   0.022% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  22.76 +/- 2.30   0.001% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  25.94 +/- 1.62   0.000% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  24.00 +/- 1.53   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 0.06 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 123.5:
    * O T HG2   GLN  116 - HA    GLN  116   2.26 +/- 0.42  99.972% * 99.8732% (1.00  10.0 10.00   5.25 123.52) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116   9.98 +/- 1.28   0.028% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  31.46 +/- 1.84   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 = 5.3, residual support = 123.5:
    * O T HA    GLN  116 - HB2   GLN  116   2.90 +/- 0.08  99.996% * 98.1197% (1.00  10.0 10.00   5.30 123.52) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  19.23 +/- 1.84   0.001% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  29.60 +/- 1.70   0.000% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  19.82 +/- 1.48   0.001% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  30.73 +/- 1.57   0.000% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  21.37 +/- 1.87   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  22.49 +/- 2.01   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  26.97 +/- 1.79   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  31.02 +/- 1.84   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 = 5.84, residual support = 123.5:
    * O T HG2   GLN  116 - HB2   GLN  116   2.72 +/- 0.13  99.980% * 99.8732% (1.00  10.0 10.00   5.84 123.52) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  11.79 +/- 1.22   0.020% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  33.53 +/- 1.74   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 0.21 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 123.5:
    * O T HA    GLN  116 - HG2   GLN  116   2.26 +/- 0.42  99.998% * 99.5202% (1.00  10.0 10.00   5.25 123.52) = 100.000%  kept
          HA    VAL   70 - HG2   GLN  116  17.93 +/- 2.34   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  18.25 +/- 1.83   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  19.51 +/- 2.16   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  21.96 +/- 2.42   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  25.69 +/- 2.26   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  28.48 +/- 2.17   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  29.85 +/- 1.98   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  30.83 +/- 1.91   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 = 5.84, residual support = 123.5:
    * O T HB2   GLN  116 - HG2   GLN  116   2.72 +/- 0.13  99.859% * 99.6852% (1.00  10.0 10.00   5.84 123.52) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116   9.23 +/- 1.95   0.134% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  14.40 +/- 2.02   0.007% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  24.53 +/- 2.56   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  24.74 +/- 1.74   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  27.38 +/- 1.86   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 0.21 A, kept.
 
    Peak 1490 (2.54, 2.54, 34.75 ppm):
    1 diagonal assignment:
    *     HG2   GLN  116 - HG2   GLN  116  (1.00)  kept
 
    Peak 1491 (4.24, 4.24, 61.69 ppm):
    1 diagonal assignment:
    *     HA    SER  117 - HA    SER  117  (1.00)  kept
 
    Peak 1492 (3.93, 4.24, 61.69 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 1.55, residual support = 16.1:
    * O T QB    SER  117 - HA    SER  117   2.40 +/- 0.09  99.103% * 98.0631% (1.00  10.0 10.00   1.55  16.07) =  99.999%  kept
          HA    LYS+ 121 - HA    SER  117   6.46 +/- 0.74   0.362% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER  117   5.80 +/- 0.26   0.529% *  0.0403% (0.41   1.0  1.00   0.02   5.95) =   0.000%
          HA    PHE   60 - HA    SER  117  13.02 +/- 0.84   0.004% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  22.28 +/- 1.67   0.000% *  0.8795% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  24.16 +/- 1.75   0.000% *  0.6344% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.74 +/- 0.92   0.001% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  26.72 +/- 1.88   0.000% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  22.89 +/- 1.75   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 = 1.55, residual support = 16.1:
    * O T HA    SER  117 - QB    SER  117   2.40 +/- 0.09  99.899% * 99.1287% (1.00  10.0 10.00   1.55  16.07) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   9.00 +/- 1.25   0.062% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  11.77 +/- 2.15   0.027% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.88 +/- 0.83   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.80 +/- 1.02   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.79 +/- 1.40   0.001% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  24.16 +/- 1.75   0.000% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  16.18 +/- 1.00   0.001% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  17.89 +/- 1.93   0.001% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  16.38 +/- 2.24   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  18.64 +/- 2.15   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  26.72 +/- 1.88   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  26.29 +/- 0.74   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.06 +/- 1.15   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  26.09 +/- 0.86   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 = 6.64, residual support = 256.4:
    * O T HB    ILE  119 - HA    ILE  119   3.01 +/- 0.01  99.889% * 99.2403% (0.87  10.0 10.00   6.64 256.40) = 100.000%  kept
          HB3   PRO   68 - HA    ILE  119  12.60 +/- 1.67   0.029% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  12.98 +/- 0.85   0.017% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE  119  12.71 +/- 1.01   0.020% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  13.19 +/- 2.07   0.032% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  18.63 +/- 2.41   0.002% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  19.23 +/- 1.48   0.002% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  18.41 +/- 1.75   0.002% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  17.10 +/- 1.06   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  20.80 +/- 2.01   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  17.74 +/- 1.39   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  27.63 +/- 1.67   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 = 6.96, residual support = 256.4:
    * O T QG2   ILE  119 - HA    ILE  119   2.50 +/- 0.09  99.374% * 99.7168% (1.00  10.0 10.00   6.96 256.40) = 100.000%  kept
          QD1   LEU   67 - HA    ILE  119   8.13 +/- 2.81   0.450% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119   8.68 +/- 1.79   0.141% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  12.60 +/- 1.61   0.010% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  10.94 +/- 1.30   0.020% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  13.61 +/- 1.08   0.005% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  16.54 +/- 1.50   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 = 6.91, residual support = 256.4:
    * O T HG12  ILE  119 - HA    ILE  119   2.62 +/- 0.16  99.608% * 99.4466% (1.00  10.0 10.00   6.91 256.40) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   7.39 +/- 1.32   0.360% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  12.23 +/- 1.02   0.013% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  11.96 +/- 1.18   0.015% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  16.26 +/- 1.51   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  18.42 +/- 1.50   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  20.97 +/- 1.70   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  22.20 +/- 1.04   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  24.85 +/- 1.56   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  22.24 +/- 1.18   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  27.81 +/- 1.58   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 = 6.06, residual support = 256.4:
    * O T HG13  ILE  119 - HA    ILE  119   3.35 +/- 0.48  87.181% * 99.6771% (1.00  10.0 10.00   6.06 256.40) =  99.997%  kept
          QG1   VAL  107 - HA    ILE  119   5.19 +/- 0.75   9.944% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HA    ILE  119   7.20 +/- 0.31   1.110% *  0.0308% (0.31   1.0  1.00   0.02   3.18) =   0.000%
          QG2   VAL  107 - HA    ILE  119   6.90 +/- 0.76   1.633% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  12.00 +/- 1.95   0.119% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  17.41 +/- 1.15   0.006% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  19.30 +/- 1.74   0.004% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  20.80 +/- 2.69   0.003% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.06, residual support = 256.4:
    *   T QD1   ILE  119 - HA    ILE  119   2.82 +/- 0.74  99.795% * 99.2846% (0.97 10.00   6.06 256.40) = 100.000%  kept
          HB2   LEU  104 - HA    ILE  119  10.02 +/- 2.10   0.112% *  0.0747% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    ILE  119  10.81 +/- 0.79   0.087% *  0.0582% (0.57  1.00   0.02   0.02) =   0.000%
        T HB    VAL   75 - HA    ILE  119  17.06 +/- 1.17   0.006% *  0.5824% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.6, residual support = 251.8:
    * O T HA    ILE  119 - HB    ILE  119   3.01 +/- 0.01  97.806% * 50.8167% (0.87  10.0 10.00   6.64 256.40) =  97.901%  kept
        T HA    THR  118 - HB    ILE  119   5.67 +/- 0.09   2.173% * 49.0416% (0.84   1.0 10.00   4.76  36.84) =   2.099%  kept
          HA2   GLY  109 - HB    ILE  119  14.23 +/- 1.67   0.019% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  23.65 +/- 1.85   0.000% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  24.99 +/- 1.17   0.000% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  20.52 +/- 1.17   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 = 256.4:
    * O T QG2   ILE  119 - HB    ILE  119   2.11 +/- 0.02  99.936% * 99.7168% (0.87  10.0 10.00   6.31 256.40) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119   9.87 +/- 2.66   0.052% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  11.08 +/- 1.73   0.007% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  14.37 +/- 1.51   0.001% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  12.67 +/- 1.17   0.002% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  15.74 +/- 1.30   0.001% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  17.72 +/- 1.43   0.000% *  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 = 5.92, residual support = 256.4:
    * O T HG12  ILE  119 - HB    ILE  119   2.62 +/- 0.12  99.914% * 99.4466% (0.87  10.0 10.00   5.92 256.40) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119   9.09 +/- 1.31   0.073% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  13.52 +/- 1.30   0.006% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  14.21 +/- 1.33   0.005% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  18.21 +/- 1.47   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  18.16 +/- 1.71   0.001% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  22.64 +/- 0.92   0.000% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  22.64 +/- 1.74   0.000% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  27.32 +/- 1.67   0.000% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  23.36 +/- 1.23   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  29.58 +/- 1.65   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 = 5.44, residual support = 256.4:
    * O T HG13  ILE  119 - HB    ILE  119   2.51 +/- 0.33  97.950% * 99.4020% (0.87  10.0 10.00   5.44 256.40) =  99.997%  kept
        T QG1   VAL  107 - HB    ILE  119   5.56 +/- 0.94   1.492% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   VAL  107 - HB    ILE  119   6.85 +/- 0.89   0.387% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB    ILE  119   9.86 +/- 2.01   0.067% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.42 +/- 0.40   0.103% *  0.0307% (0.27   1.0  1.00   0.02   3.18) =   0.000%
          QB    ALA   20 - HB    ILE  119  18.70 +/- 1.13   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  21.99 +/- 1.74   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  22.50 +/- 2.71   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 = 256.4:
    * O T QD1   ILE  119 - HB    ILE  119   2.85 +/- 0.43  99.933% * 99.2846% (0.84  10.0 10.00   5.44 256.40) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  11.40 +/- 0.81   0.036% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  12.57 +/- 1.94   0.030% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  18.66 +/- 1.32   0.002% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.96, residual support = 256.4:
    * O T HA    ILE  119 - QG2   ILE  119   2.50 +/- 0.09  99.489% * 98.7713% (1.00  10.0 10.00   6.96 256.40) =  99.995%  kept
        T HA    THR  118 - QG2   ILE  119   6.05 +/- 0.03   0.503% *  0.9532% (0.97   1.0 10.00   0.02  36.84) =   0.005%
          HA2   GLY  109 - QG2   ILE  119  13.47 +/- 1.35   0.006% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  20.37 +/- 1.36   0.000% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  21.28 +/- 1.08   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  16.95 +/- 1.16   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 256.4:
    * O T HB    ILE  119 - QG2   ILE  119   2.11 +/- 0.02  99.963% * 99.2403% (0.87  10.0 10.00   6.31 256.40) = 100.000%  kept
          HB3   PRO   68 - QG2   ILE  119  10.17 +/- 1.72   0.020% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  11.17 +/- 0.89   0.005% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  12.73 +/- 0.67   0.002% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  11.87 +/- 1.44   0.005% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  14.92 +/- 1.48   0.001% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  14.38 +/- 1.28   0.001% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  14.64 +/- 1.39   0.001% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  17.43 +/- 2.16   0.000% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  17.44 +/- 1.60   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  18.57 +/- 2.04   0.000% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  24.51 +/- 1.67   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 = 6.24, residual support = 256.4:
    * O T HG12  ILE  119 - QG2   ILE  119   3.18 +/- 0.06  99.458% * 99.4466% (1.00  10.0 10.00   6.24 256.40) = 100.000%  kept
          HB2   ASP- 105 - QG2   ILE  119   8.57 +/- 0.99   0.329% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   ILE  119  10.81 +/- 1.35   0.104% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  11.07 +/- 1.25   0.073% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  13.77 +/- 1.60   0.020% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  16.37 +/- 1.29   0.006% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  17.52 +/- 1.57   0.004% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  19.73 +/- 0.76   0.002% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  22.18 +/- 1.69   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  19.40 +/- 1.17   0.002% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  23.20 +/- 1.47   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 256.4:
    * O T HG13  ILE  119 - QG2   ILE  119   2.55 +/- 0.25  98.523% * 99.6771% (1.00  10.0 10.00   5.75 256.40) = 100.000%  kept
          QG1   VAL  107 - QG2   ILE  119   5.88 +/- 0.66   0.866% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   ILE  119   9.31 +/- 1.86   0.136% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   6.89 +/- 0.71   0.327% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.70 +/- 0.29   0.144% *  0.0308% (0.31   1.0  1.00   0.02   3.18) =   0.000%
          QB    ALA   20 - QG2   ILE  119  14.91 +/- 1.18   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  18.01 +/- 1.65   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  18.75 +/- 2.33   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 0.00 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 256.4:
    *   T QD1   ILE  119 - QG2   ILE  119   1.95 +/- 0.22  99.989% * 99.8078% (0.97 10.00   5.75 256.40) = 100.000%  kept
          HB2   LEU  104 - QG2   ILE  119  10.69 +/- 1.67   0.006% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  10.66 +/- 0.62   0.005% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  15.59 +/- 1.21   0.001% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.89, residual support = 253.1:
    * O T HA    ILE  119 - HG12  ILE  119   2.62 +/- 0.16  98.425% * 50.8167% (1.00  10.0 10.00   6.91 256.40) =  98.504%  kept
        T HA    THR  118 - HG12  ILE  119   5.31 +/- 0.18   1.549% * 49.0416% (0.97   1.0 10.00   5.46  36.84) =   1.496%  kept
          HA2   GLY  109 - HG12  ILE  119  12.72 +/- 1.53   0.025% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  21.19 +/- 1.79   0.000% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  22.95 +/- 1.27   0.000% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  18.04 +/- 1.03   0.001% *  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 = 5.92, residual support = 256.4:
    * O T HB    ILE  119 - HG12  ILE  119   2.62 +/- 0.12  99.907% * 98.6651% (0.87  10.0 10.00   5.92 256.40) = 100.000%  kept
        T HB2   ARG+  54 - HG12  ILE  119  16.06 +/- 1.63   0.003% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE  119  10.66 +/- 0.96   0.025% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  11.10 +/- 1.89   0.042% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  11.70 +/- 0.75   0.014% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  14.28 +/- 1.51   0.005% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  19.62 +/- 1.36   0.001% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  20.40 +/- 2.31   0.001% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  17.86 +/- 1.27   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  18.06 +/- 1.03   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  21.14 +/- 1.86   0.000% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  27.49 +/- 1.67   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 = 6.24, residual support = 256.4:
    * O T QG2   ILE  119 - HG12  ILE  119   3.18 +/- 0.06  99.060% * 99.7168% (1.00  10.0 10.00   6.24 256.40) = 100.000%  kept
          QD1   LEU   67 - HG12  ILE  119   9.14 +/- 2.62   0.657% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  12.88 +/- 1.60   0.035% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  10.08 +/- 1.75   0.168% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  11.47 +/- 1.28   0.058% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  14.45 +/- 1.07   0.013% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  15.49 +/- 1.30   0.008% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1518 (2.26, 2.26, 30.83 ppm):
    1 diagonal assignment:
    *     HG12  ILE  119 - HG12  ILE  119  (1.00)  kept
 
    Peak 1519 (1.12, 2.26, 30.83 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.47, residual support = 256.4:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  98.429% * 99.6771% (1.00  10.0 10.00   5.47 256.40) = 100.000%  kept
          QG1   VAL  107 - HG12  ILE  119   4.02 +/- 0.84   1.384% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   5.36 +/- 0.79   0.170% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119   9.75 +/- 2.11   0.011% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   8.84 +/- 0.37   0.006% *  0.0308% (0.31   1.0  1.00   0.02   3.18) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.95 +/- 0.99   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  19.99 +/- 1.64   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  20.43 +/- 2.65   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 = 5.47, residual support = 256.4:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  99.981% * 99.8078% (0.97  10.0 10.00   5.47 256.40) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119   9.82 +/- 0.75   0.012% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  11.53 +/- 2.07   0.007% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  16.14 +/- 1.20   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 = 6.03, residual support = 251.8:
    * O T HA    ILE  119 - HG13  ILE  119   3.35 +/- 0.48  97.767% * 50.8167% (1.00  10.0 10.00   6.06 256.40) =  97.889%  kept
        T HA    THR  118 - HG13  ILE  119   6.59 +/- 0.28   2.185% * 49.0416% (0.97   1.0 10.00   4.51  36.84) =   2.111%  kept
          HA2   GLY  109 - HG13  ILE  119  13.44 +/- 1.54   0.041% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  21.95 +/- 1.73   0.002% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  22.95 +/- 1.25   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  18.46 +/- 1.48   0.004% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 256.4:
    * O T HB    ILE  119 - HG13  ILE  119   2.51 +/- 0.33  99.926% * 99.2403% (0.87  10.0 10.00   5.44 256.40) = 100.000%  kept
          HB3   PRO   68 - HG13  ILE  119  14.05 +/- 2.03   0.013% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  11.54 +/- 1.65   0.030% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG13  ILE  119  11.08 +/- 1.36   0.015% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  12.82 +/- 0.88   0.007% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  15.65 +/- 1.59   0.003% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  17.55 +/- 1.66   0.002% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  20.16 +/- 1.82   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  21.57 +/- 2.38   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  17.97 +/- 1.49   0.001% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  21.30 +/- 2.49   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  28.08 +/- 2.14   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 = 5.75, residual support = 256.4:
    * O T QG2   ILE  119 - HG13  ILE  119   2.55 +/- 0.25  99.769% * 99.7168% (1.00  10.0 10.00   5.75 256.40) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   9.16 +/- 2.51   0.181% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  10.84 +/- 1.92   0.031% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  13.93 +/- 1.63   0.005% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  14.70 +/- 1.62   0.003% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  12.57 +/- 1.23   0.008% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  15.50 +/- 1.62   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.47, residual support = 256.4:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.991% * 99.4466% (1.00  10.0 10.00   5.47 256.40) = 100.000%  kept
          HB2   ASP- 105 - HG13  ILE  119   9.41 +/- 1.28   0.006% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  11.50 +/- 1.62   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  12.45 +/- 1.75   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  16.75 +/- 1.65   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  17.18 +/- 1.86   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  21.22 +/- 0.85   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  21.34 +/- 1.86   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  25.71 +/- 2.00   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  21.19 +/- 1.50   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  28.61 +/- 1.89   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 = 5.0, residual support = 256.4:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  99.989% * 99.8078% (0.97  10.0 10.00   5.00 256.40) = 100.000%  kept
          QG2   VAL  108 - HG13  ILE  119  10.76 +/- 0.77   0.007% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  12.70 +/- 1.94   0.003% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  16.70 +/- 1.62   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 = 0.961, support = 6.04, residual support = 255.3:
    *   T HA    ILE  119 - QD1   ILE  119   2.82 +/- 0.74  97.856% * 81.8358% (0.97 10.00   6.06 256.40) =  99.561%  kept
          HA    THR  118 - QD1   ILE  119   6.09 +/- 0.29   1.983% * 17.8069% (0.93  1.00   4.51  36.84) =   0.439%
          HA2   GLY  109 - QD1   ILE  119  11.67 +/- 1.21   0.146% *  0.0594% (0.70  1.00   0.02   0.02) =   0.000%
        T HA    VAL   75 - QD1   ILE  119  14.92 +/- 1.22   0.009% *  0.1433% (0.17 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  18.15 +/- 1.29   0.003% *  0.0734% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  18.95 +/- 1.17   0.003% *  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 = 256.4:
    * O T HB    ILE  119 - QD1   ILE  119   2.85 +/- 0.43  99.653% * 98.5836% (0.84  10.0 10.00   5.44 256.40) =  99.999%  kept
        T HB    VAL  108 - QD1   ILE  119  11.03 +/- 0.65   0.043% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  11.08 +/- 1.68   0.074% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE  119   9.94 +/- 0.75   0.068% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119   9.55 +/- 1.40   0.105% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  12.92 +/- 1.80   0.017% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  16.25 +/- 1.83   0.006% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  13.88 +/- 1.27   0.013% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  17.52 +/- 2.74   0.005% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  14.32 +/- 1.37   0.011% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  17.37 +/- 2.08   0.004% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  22.86 +/- 1.84   0.001% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 256.4:
    *   T QG2   ILE  119 - QD1   ILE  119   1.95 +/- 0.22  99.600% * 99.7168% (0.97 10.00   5.75 256.40) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   7.24 +/- 2.09   0.354% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119   8.82 +/- 2.05   0.031% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  11.71 +/- 1.73   0.004% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  11.72 +/- 1.58   0.003% *  0.0865% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  10.63 +/- 1.48   0.006% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.38 +/- 1.23   0.002% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.47, residual support = 256.4:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.891% * 99.4466% (0.97  10.0 10.00   5.47 256.40) = 100.000%  kept
          HB2   ASP-  44 - QD1   ILE  119   9.13 +/- 1.34   0.028% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119   9.72 +/- 1.45   0.023% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QD1   ILE  119   8.24 +/- 1.48   0.053% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  13.67 +/- 1.82   0.002% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  14.16 +/- 1.27   0.001% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  17.08 +/- 1.47   0.000% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  17.67 +/- 0.70   0.000% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  20.88 +/- 1.89   0.000% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  17.23 +/- 1.08   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  23.17 +/- 1.25   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 = 5.0, residual support = 256.4:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  98.191% * 99.6771% (0.97  10.0 10.00   5.00 256.40) = 100.000%  kept
          QG1   VAL  107 - QD1   ILE  119   4.75 +/- 0.65   1.155% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   5.50 +/- 0.77   0.498% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   ILE  119   8.24 +/- 2.00   0.127% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   8.55 +/- 0.54   0.027% *  0.0308% (0.30   1.0  1.00   0.02   3.18) =   0.000%
          QB    ALA   20 - QD1   ILE  119  13.57 +/- 0.98   0.002% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  16.99 +/- 2.19   0.001% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  17.19 +/- 2.44   0.001% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.39, residual support = 14.2:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.01  99.755% * 99.2082% (0.95  10.0 10.00   2.39  14.24) = 100.000%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.46 +/- 0.93   0.190% *  0.1618% (0.15   1.0 10.00   0.02   1.76) =   0.000%
          HG    LEU   67 - HA    ALA  120  11.75 +/- 3.40   0.029% *  0.0552% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    ALA  120  10.30 +/- 1.26   0.011% *  0.0992% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.68 +/- 0.63   0.007% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  13.78 +/- 1.98   0.002% *  0.1046% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  13.16 +/- 2.07   0.005% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  15.12 +/- 1.19   0.001% *  0.2075% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.71 +/- 1.19   0.000% *  0.0510% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.36 +/- 1.44   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 = 2.39, residual support = 14.2:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.01  96.383% * 99.3786% (0.95  10.0 10.00   2.39  14.24) =  99.997%  kept
          HA    LYS+ 121 - QB    ALA  120   3.88 +/- 0.04   2.680% *  0.0759% (0.72   1.0  1.00   0.02   1.76) =   0.002%
          QB    SER  117 - QB    ALA  120   4.67 +/- 0.21   0.933% *  0.0409% (0.39   1.0  1.00   0.02   5.95) =   0.000%
          HA    LYS+  65 - QB    ALA  120  13.72 +/- 0.95   0.002% *  0.0759% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.87 +/- 0.74   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  17.63 +/- 1.66   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  21.54 +/- 1.53   0.000% *  0.0917% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  20.49 +/- 1.34   0.000% *  0.0683% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  24.09 +/- 1.46   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  19.45 +/- 1.34   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 = 0.967, support = 8.19, residual support = 310.4:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.89 +/- 0.11  62.010% * 91.1605% (1.00  10.0 10.00   8.31 315.73) =  96.475%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.27 +/- 0.56  36.089% *  5.7090% (0.06   1.0 10.00   4.75 164.86) =   3.516%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.35 +/- 0.65   1.847% *  0.2814% (0.31   1.0 10.00   0.02   2.30) =   0.009%
        T QD    LYS+ 102 - HA    LYS+ 121  14.95 +/- 1.70   0.004% *  0.4796% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.78 +/- 1.39   0.002% *  0.9096% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  17.30 +/- 1.94   0.002% *  0.8176% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.09 +/- 1.35   0.002% *  0.2535% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  16.09 +/- 1.68   0.003% *  0.0572% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  14.37 +/- 1.38   0.005% *  0.0177% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.66 +/- 1.60   0.003% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.15 +/- 2.53   0.002% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.63 +/- 1.41   0.012% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.39 +/- 0.85   0.001% *  0.0513% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.42 +/- 0.70   0.018% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.44 +/- 1.56   0.001% *  0.0553% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.85 +/- 3.22   0.000% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.87 +/- 1.56   0.000% *  0.0301% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.46 +/- 1.56   0.000% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  19.05 +/- 1.04   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  24.62 +/- 1.98   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 = 7.36, residual support = 315.7:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.37 +/- 0.52  99.703% * 99.6412% (1.00  10.0 10.00   7.36 315.73) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121   9.85 +/- 1.47   0.198% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   9.15 +/- 0.22   0.059% *  0.0308% (0.31   1.0  1.00   0.02   3.18) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  13.68 +/- 1.45   0.007% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  12.26 +/- 0.99   0.013% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  18.11 +/- 1.72   0.001% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.66 +/- 1.12   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  14.12 +/- 1.26   0.005% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  12.11 +/- 0.91   0.012% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  20.84 +/- 1.46   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.55 +/- 1.36   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  20.07 +/- 1.19   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.77, residual support = 315.7:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.12 +/- 0.47  98.503% * 99.4380% (1.00  10.0 10.00   6.77 315.73) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.04 +/- 0.40   1.233% *  0.0484% (0.49   1.0  1.00   0.02   2.30) =   0.001%
        T QD2   LEU   73 - HA    LYS+ 121  16.30 +/- 0.98   0.007% *  0.3392% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  10.93 +/- 0.85   0.079% *  0.0213% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+ 121  12.90 +/- 1.09   0.027% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  10.71 +/- 1.33   0.101% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  18.15 +/- 1.84   0.004% *  0.0624% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.35 +/- 1.11   0.042% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  20.94 +/- 1.83   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  19.41 +/- 1.20   0.002% *  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 = 0.507, support = 7.47, residual support = 289.8:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.74 +/- 0.21  33.490% * 21.3664% (0.31  10.0 10.00   8.25 315.73) =  48.189%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.72 +/- 0.46   7.449% * 69.2258% (1.00   1.0 10.00   7.49 315.73) =  34.725%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.47 +/- 0.30  58.533% *  4.3065% (0.06  10.0 10.00   5.27 164.86) =  16.976%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.68 +/- 0.71   0.470% *  3.4792% (0.05   1.0 10.00   5.53  25.68) =   0.110%
        T QD    LYS+  66 - HA    LYS+ 121  11.25 +/- 2.07   0.019% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  17.88 +/- 1.43   0.001% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.13 +/- 1.44   0.017% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.28 +/- 1.49   0.004% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.77 +/- 1.40   0.005% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.29 +/- 1.82   0.001% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.95 +/- 1.60   0.000% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.71 +/- 0.94   0.002% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.32 +/- 2.13   0.001% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.73 +/- 0.94   0.003% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.11 +/- 0.98   0.000% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.56 +/- 1.20   0.000% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.59 +/- 1.01   0.001% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.06 +/- 1.63   0.004% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.93 +/- 1.75   0.000% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.35 +/- 1.61   0.000% *  0.0010% (0.01   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 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.983, support = 6.63, residual support = 288.8:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.95 +/- 0.95  86.093% * 58.1256% (1.00   6.72 315.73) =  89.881%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.84 +/- 0.28  13.537% * 41.6175% (0.84   5.76  50.01) =  10.119%  kept
          HB3   HIS  122 - HA    LYS+  65  11.68 +/- 1.87   0.303% *  0.0091% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  16.56 +/- 1.72   0.037% *  0.0109% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  24.37 +/- 1.41   0.002% *  0.1188% (0.69   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  17.33 +/- 1.35   0.019% *  0.0075% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  26.21 +/- 1.32   0.002% *  0.0775% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  30.36 +/- 1.28   0.001% *  0.0267% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  23.86 +/- 0.99   0.003% *  0.0049% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  24.02 +/- 1.44   0.003% *  0.0017% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 8.31, residual support = 315.7:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.89 +/- 0.11  96.049% * 99.1042% (1.00  10.0 10.00   8.31 315.73) =  99.997%  kept
          QB    SER  117 - HB2   LYS+ 121   5.98 +/- 0.97   2.056% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HB2   LYS+ 121   5.67 +/- 0.35   1.855% *  0.0757% (0.76   1.0  1.00   0.02   1.76) =   0.001%
        T HA    LYS+  65 - HB2   LYS+ 121  16.09 +/- 1.68   0.004% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   LYS+ 121  11.79 +/- 1.37   0.028% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  15.48 +/- 1.43   0.006% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  19.87 +/- 1.79   0.001% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  24.09 +/- 2.01   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  24.10 +/- 2.08   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  25.41 +/- 2.10   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 = 7.78, residual support = 315.7:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.84 +/- 0.21  96.347% * 99.7211% (1.00  10.0 10.00   7.78 315.73) =  99.997%  kept
          QG2   VAL  107 - HB2   LYS+ 121   7.86 +/- 1.47   3.273% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - HB2   LYS+ 121   7.57 +/- 0.72   0.348% *  0.0308% (0.31   1.0  1.00   0.02   3.18) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  11.68 +/- 1.34   0.030% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.95 +/- 1.11   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  19.09 +/- 1.43   0.001% *  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 = 7.21, residual support = 315.7:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.70 +/- 0.23  99.747% * 99.0974% (1.00  10.0 10.00   7.21 315.73) =  99.999%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.93 +/- 0.64   0.201% *  0.4824% (0.49   1.0 10.00   0.02   2.30) =   0.001%
          QD1   ILE   56 - HB2   LYS+ 121  11.09 +/- 1.40   0.046% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB2   LYS+ 121  14.69 +/- 0.95   0.005% *  0.3380% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  18.99 +/- 1.68   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 = 0.599, support = 8.44, residual support = 315.7:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  81.757% * 23.0703% (0.31  10.0 10.00   8.87 315.73) =  58.058%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.61 +/- 0.83  18.230% * 74.7463% (1.00  10.0 10.00   7.84 315.73) =  41.942%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  11.12 +/- 2.05   0.003% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   9.19 +/- 1.81   0.008% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.78 +/- 1.72   0.000% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.33 +/- 1.22   0.000% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  11.36 +/- 1.38   0.001% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.82 +/- 1.13   0.001% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.64 +/- 1.77   0.000% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.38 +/- 0.83   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 = 0.984, support = 7.07, residual support = 289.4:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.78 +/- 0.30  86.795% * 57.9333% (1.00   7.17 315.73) =  90.099%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.30 +/- 0.61  13.201% * 41.8583% (0.84   6.20  50.01) =   9.901%  kept
          HG2   GLN   30 - HB2   LYS+ 121  22.50 +/- 1.13   0.002% *  0.1110% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  24.20 +/- 1.28   0.001% *  0.0725% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  27.74 +/- 1.44   0.001% *  0.0249% (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 = 7.36, residual support = 315.7:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.37 +/- 0.52  98.447% * 99.1042% (1.00  10.0 10.00   7.36 315.73) =  99.999%  kept
          QB    SER  117 - HG2   LYS+ 121   6.62 +/- 1.41   1.260% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG2   LYS+ 121   6.71 +/- 0.40   0.284% *  0.0757% (0.76   1.0  1.00   0.02   1.76) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  18.11 +/- 1.72   0.001% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  17.31 +/- 1.57   0.002% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  14.26 +/- 1.20   0.005% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  21.62 +/- 2.03   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  26.11 +/- 2.02   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  26.26 +/- 2.07   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  26.79 +/- 2.30   0.000% *  0.0407% (0.41   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 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.78, residual support = 315.7:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.84 +/- 0.21  99.575% * 99.4783% (1.00  10.0 10.00   7.78 315.73) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.46 +/- 0.67   0.396% *  0.0307% (0.31   1.0  1.00   0.02   2.30) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  13.83 +/- 1.98   0.013% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  17.19 +/- 2.15   0.003% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  17.86 +/- 1.48   0.002% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  16.93 +/- 1.74   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  18.70 +/- 2.76   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  16.36 +/- 1.74   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  20.47 +/- 1.73   0.001% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  25.97 +/- 3.39   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 = 315.7:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.992% * 99.3314% (1.00  10.0 10.00   6.31 315.73) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.69 +/- 0.53   0.007% *  0.0483% (0.49   1.0  1.00   0.02   2.30) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  16.31 +/- 1.21   0.000% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.95 +/- 1.38   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  20.35 +/- 1.77   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 = 0.838, support = 7.24, residual support = 315.7:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.76 +/- 0.23  50.088% * 75.5250% (1.00  10.0 10.00   7.08 315.73) =  76.507%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.77 +/- 0.18  49.833% * 23.3106% (0.31  10.0 10.00   7.75 315.73) =  23.493%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  12.65 +/- 2.07   0.010% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   LYS+ 121   9.23 +/- 1.85   0.055% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  14.05 +/- 1.44   0.003% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  12.45 +/- 1.81   0.009% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  21.02 +/- 1.75   0.000% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  18.97 +/- 1.63   0.001% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  21.95 +/- 0.91   0.000% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.63 +/- 1.27   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 = 315.7:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.71 +/- 0.53  99.398% * 99.7880% (1.00  10.0   6.31 315.73) =  99.999%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.99 +/- 0.82   0.602% *  0.0833% (0.84   1.0   0.02  50.01) =   0.001%
          HG2   GLN   30 - HG2   LYS+ 121  24.24 +/- 1.30   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  25.51 +/- 1.35   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  29.92 +/- 1.43   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 = 6.77, residual support = 315.7:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.12 +/- 0.47  96.750% * 98.4706% (1.00  10.0 10.00   6.77 315.73) =  99.998%  kept
          QB    SER  117 - HG3   LYS+ 121   6.61 +/- 1.00   1.865% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HG3   LYS+ 121   7.38 +/- 0.48   0.609% *  0.0753% (0.76   1.0  1.00   0.02   1.76) =   0.000%
        T HA    LYS+  65 - QD2   LEU   73  10.93 +/- 0.85   0.078% *  0.1145% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD2   LEU   73  11.01 +/- 1.80   0.177% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73   9.10 +/- 1.06   0.307% *  0.0093% (0.09   1.0  1.00   0.02   1.90) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  16.30 +/- 0.98   0.007% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73  10.30 +/- 1.21   0.124% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  18.15 +/- 1.84   0.004% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  16.49 +/- 1.80   0.008% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  13.81 +/- 1.30   0.019% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  13.95 +/- 1.33   0.019% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  15.82 +/- 1.11   0.009% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  15.37 +/- 2.06   0.012% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.51 +/- 1.20   0.007% *  0.0257% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  18.33 +/- 1.50   0.004% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  21.55 +/- 2.14   0.001% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  25.59 +/- 2.01   0.000% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  25.90 +/- 2.06   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  25.96 +/- 2.50   0.000% *  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 = 7.21, residual support = 315.7:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.70 +/- 0.23  98.915% * 98.6953% (1.00  10.0 10.00   7.21 315.73) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.24 +/- 0.83   0.171% *  0.3046% (0.31   1.0 10.00   0.02   2.30) =   0.001%
          HD2   LYS+  74 - QD2   LEU   73   6.74 +/- 0.85   0.762% *  0.0204% (0.21   1.0  1.00   0.02  40.40) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  14.69 +/- 0.95   0.005% *  0.3366% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU   73  11.54 +/- 2.73   0.045% *  0.0330% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  11.19 +/- 1.23   0.028% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.08 +/- 1.96   0.012% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  12.59 +/- 0.72   0.011% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  11.46 +/- 0.96   0.022% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  16.89 +/- 1.87   0.002% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.94 +/- 1.52   0.002% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.79 +/- 0.91   0.007% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.23 +/- 2.93   0.003% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  16.10 +/- 1.51   0.003% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  16.78 +/- 1.79   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.61 +/- 1.41   0.006% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  19.93 +/- 1.87   0.001% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.94 +/- 1.66   0.002% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  25.06 +/- 3.51   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  20.97 +/- 1.87   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 = 315.7:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.811% * 98.9593% (1.00  10.0 10.00   6.31 315.73) = 100.000%  kept
          QG2   VAL  107 - HG3   LYS+ 121   8.95 +/- 1.62   0.086% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QD2   LEU   73   7.05 +/- 0.71   0.028% *  0.0938% (0.09   1.0 10.00   0.02   3.33) =   0.000%
          QB    ALA   20 - QD2   LEU   73   6.07 +/- 0.44   0.065% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  11.41 +/- 1.68   0.002% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.92 +/- 0.35   0.003% *  0.0305% (0.31   1.0  1.00   0.02   3.18) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  16.31 +/- 1.21   0.000% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  11.43 +/- 1.21   0.002% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.26 +/- 1.21   0.002% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  19.45 +/- 1.59   0.000% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.69 +/- 1.56   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  21.40 +/- 1.20   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 = 0.724, support = 6.72, residual support = 315.7:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.84 +/- 0.20  30.949% * 75.1260% (1.00  10.0 10.00   6.49 315.73) =  60.076%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.48 +/- 0.26  66.634% * 23.1874% (0.31  10.0 10.00   7.08 315.73) =  39.922%  kept
          QG2   THR   26 - QD2   LEU   73   5.01 +/- 0.79   1.769% *  0.0247% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU   73   5.79 +/- 0.47   0.430% *  0.0196% (0.26   1.0  1.00   0.02  40.40) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   7.87 +/- 0.77   0.073% *  0.0507% (0.07   1.0 10.00   0.02  40.40) =   0.000%
        T QD    LYS+  66 - HG3   LYS+ 121  12.98 +/- 2.08   0.005% *  0.6016% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121   8.55 +/- 1.66   0.057% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.65 +/- 0.78   0.004% *  0.2051% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  15.66 +/- 1.91   0.001% *  0.2562% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  10.88 +/- 1.13   0.011% *  0.0254% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.43 +/- 0.91   0.050% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  14.66 +/- 1.11   0.002% *  0.0791% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  12.02 +/- 1.55   0.006% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  13.78 +/- 1.15   0.003% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  12.51 +/- 1.09   0.004% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  20.52 +/- 1.86   0.000% *  0.1487% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.96 +/- 1.74   0.000% *  0.0745% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  21.39 +/- 0.95   0.000% *  0.0725% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  21.10 +/- 1.46   0.000% *  0.0574% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  18.39 +/- 2.11   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 = 315.7:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.72 +/- 0.49  82.756% * 99.6820% (1.00  10.0   6.00 315.73) =  99.995%  kept
          HG2   GLN   30 - QD2   LEU   73   4.39 +/- 1.27  16.686% *  0.0233% (0.23   1.0   0.02   5.33) =   0.005%
          HB3   HIS  122 - HG3   LYS+ 121   7.19 +/- 0.65   0.445% *  0.0833% (0.84   1.0   0.02  50.01) =   0.000%
          HB3   ASN   28 - QD2   LEU   73   9.11 +/- 0.60   0.076% *  0.0152% (0.15   1.0   0.02   1.12) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  12.61 +/- 1.32   0.016% *  0.0284% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  14.58 +/- 1.79   0.012% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.23 +/- 1.17   0.008% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  23.59 +/- 1.24   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  24.66 +/- 1.30   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  29.22 +/- 1.63   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 = 0.993, support = 7.39, residual support = 306.3:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.72 +/- 0.46  62.083% * 56.2480% (1.00 10.00   7.49 315.73) =  96.983%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.46 +/- 0.93   2.497% * 42.9863% (0.76 10.00   4.17   1.76) =   2.981%  kept
          QB    SER  117 - HD2   LYS+ 121   5.24 +/- 1.86  23.492% *  0.0470% (0.84  1.00   0.02   0.02) =   0.031%
        T HA    LYS+  65 - QD    LYS+  66   5.68 +/- 0.71   6.932% *  0.0239% (0.04 10.00   0.02  25.68) =   0.005%
        T HA    LYS+ 121 - QD    LYS+  66  11.25 +/- 2.07   0.178% *  0.0699% (0.12 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66   8.20 +/- 1.76   1.495% *  0.0053% (0.10  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   7.76 +/- 1.10   1.828% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+  74   9.75 +/- 1.76   0.351% *  0.0083% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  17.29 +/- 1.82   0.010% *  0.1919% (0.34 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  12.77 +/- 1.40   0.059% *  0.0299% (0.05 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  10.61 +/- 1.07   0.140% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   8.95 +/- 1.19   0.451% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  13.24 +/- 1.95   0.095% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  12.76 +/- 1.52   0.048% *  0.0156% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  15.86 +/- 1.76   0.012% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66  10.27 +/- 1.39   0.210% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  12.12 +/- 1.27   0.064% *  0.0058% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  20.95 +/- 1.60   0.002% *  0.0877% (0.16 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  21.13 +/- 2.49   0.003% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  15.13 +/- 1.28   0.018% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  17.46 +/- 1.19   0.007% *  0.0073% (0.13  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  24.54 +/- 2.24   0.001% *  0.0532% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  24.34 +/- 2.31   0.001% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.14 +/- 0.82   0.005% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.00 +/- 1.14   0.007% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.76 +/- 1.36   0.003% *  0.0067% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  25.63 +/- 2.46   0.001% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  20.59 +/- 1.94   0.002% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  20.75 +/- 1.44   0.002% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  26.12 +/- 1.00   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 = 0.731, support = 6.5, residual support = 277.6:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.61 +/- 0.83  18.219% * 87.6744% (1.00  10.0 10.00   7.84 315.73) =  70.247%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  81.562% *  8.2944% (0.09  10.0  1.00   3.34 187.42) =  29.752%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.98 +/- 0.92   0.085% *  0.1088% (0.12   1.0 10.00   0.02  25.68) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   7.71 +/- 1.05   0.016% *  0.0271% (0.31   1.0  1.00   0.02   2.30) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   6.98 +/- 1.66   0.079% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66  11.12 +/- 2.05   0.003% *  0.1090% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  11.40 +/- 1.69   0.002% *  0.1364% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  14.49 +/- 1.95   0.000% *  0.4613% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  16.93 +/- 1.50   0.000% *  0.8748% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   8.15 +/- 1.80   0.027% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  18.02 +/- 2.46   0.000% *  0.7863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  14.72 +/- 1.83   0.000% *  0.2438% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  19.06 +/- 2.06   0.000% *  0.5318% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  16.79 +/- 3.20   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  10.97 +/- 1.42   0.002% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  18.64 +/- 1.77   0.000% *  0.1368% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  15.45 +/- 2.11   0.000% *  0.0271% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  17.89 +/- 0.92   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  13.74 +/- 1.39   0.000% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.01 +/- 0.81   0.001% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  19.95 +/- 1.66   0.000% *  0.0574% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  22.60 +/- 0.74   0.000% *  0.1226% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  14.49 +/- 1.02   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.81 +/- 0.88   0.000% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.35 +/- 1.93   0.000% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  20.70 +/- 1.38   0.000% *  0.0380% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  24.78 +/- 3.48   0.000% *  0.0859% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  17.09 +/- 1.24   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  20.90 +/- 1.45   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  24.46 +/- 1.70   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 = 7.08, residual support = 315.7:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.76 +/- 0.23  97.577% * 99.3656% (1.00  10.0 10.00   7.08 315.73) =  99.999%  kept
          QG2   VAL  107 - HD2   LYS+ 121   8.04 +/- 1.54   0.584% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HD3   LYS+  74   6.50 +/- 0.66   0.743% *  0.0124% (0.12   1.0  1.00   0.02   8.19) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   8.31 +/- 1.13   0.199% *  0.0307% (0.31   1.0  1.00   0.02   3.18) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   8.03 +/- 1.34   0.778% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  12.65 +/- 2.07   0.021% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  12.17 +/- 1.54   0.023% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  11.26 +/- 0.96   0.028% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  11.38 +/- 1.36   0.026% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  21.02 +/- 1.75   0.001% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  20.85 +/- 1.55   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  14.87 +/- 1.15   0.005% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  14.18 +/- 1.31   0.007% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  20.03 +/- 2.09   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.43 +/- 0.77   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  16.66 +/- 1.15   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.14 +/- 1.43   0.002% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  20.20 +/- 0.85   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 0.03 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.49, residual support = 315.7:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.84 +/- 0.20  93.146% * 99.1222% (1.00  10.0 10.00   6.49 315.73) =  99.999%  kept
          QD2   LEU  123 - QD    LYS+  66   5.38 +/- 1.18   5.924% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD3   LYS+  74   7.87 +/- 0.77   0.292% *  0.0527% (0.05   1.0 10.00   0.02  40.40) =   0.000%
          QD2   LEU  123 - HD2   LYS+ 121   8.64 +/- 0.98   0.210% *  0.0482% (0.49   1.0  1.00   0.02   2.30) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  11.38 +/- 1.53   0.060% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74   8.96 +/- 1.71   0.273% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD    LYS+  66  12.98 +/- 2.08   0.020% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  15.66 +/- 1.91   0.005% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.65 +/- 0.78   0.014% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  10.42 +/- 0.80   0.048% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  20.52 +/- 1.86   0.001% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  19.91 +/- 1.93   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  17.18 +/- 1.56   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  14.76 +/- 1.15   0.005% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  19.83 +/- 1.04   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 = 6.42, residual support = 315.7:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.32 +/- 0.13  93.370% * 98.9202% (1.00  10.0  1.00   6.42 315.73) =  99.998%  kept
          HB3   HIS  122 - HD2   LYS+ 121   6.81 +/- 1.48   2.188% *  0.0826% (0.84   1.0  1.00   0.02  50.01) =   0.002%
          HB3   HIS  122 - QD    LYS+  66   7.42 +/- 2.69   4.420% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  13.03 +/- 0.63   0.003% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  11.86 +/- 1.66   0.008% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  23.59 +/- 1.95   0.000% *  0.6795% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  19.44 +/- 1.27   0.000% *  0.0845% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  11.63 +/- 1.57   0.009% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  16.72 +/- 1.47   0.001% *  0.0129% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  18.46 +/- 1.59   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  17.75 +/- 0.73   0.001% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  25.05 +/- 1.52   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  28.33 +/- 1.71   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  24.26 +/- 0.84   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  24.55 +/- 1.35   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 = 3.44, residual support = 74.1:
    * O T HB2   HIS  122 - HA    HIS  122   2.53 +/- 0.17  99.998% * 99.8210% (1.00  10.0 10.00   3.44  74.05) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.86 +/- 0.79   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.73 +/- 1.76   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 = 3.73, residual support = 73.8:
    * O T HB3   HIS  122 - HA    HIS  122   2.82 +/- 0.28  91.896% * 87.7062% (1.00  10.0 10.00   3.74  74.05) =  98.787%  kept
          QE    LYS+ 121 - HA    HIS  122   6.48 +/- 1.66   8.103% * 12.2124% (0.84   1.0  1.00   3.33  50.01) =   1.213%  kept
          HG2   GLN   30 - HA    HIS  122  21.22 +/- 1.91   0.001% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  23.87 +/- 2.05   0.000% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  29.12 +/- 1.32   0.000% *  0.0361% (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 = 3.44, residual support = 74.1:
    * O T HA    HIS  122 - HB2   HIS  122   2.53 +/- 0.17  99.972% * 99.8702% (1.00  10.0 10.00   3.44  74.05) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  11.78 +/- 2.35   0.027% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  17.98 +/- 1.60   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  21.58 +/- 1.51   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 = 4.31, residual support = 74.1:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.809% * 99.8240% (1.00  10.0 10.00   4.31  74.05) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   7.84 +/- 1.69   0.191% *  0.0834% (0.84   1.0  1.00   0.02  50.01) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  19.73 +/- 2.31   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  22.96 +/- 2.49   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  27.49 +/- 1.48   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 = 3.74, residual support = 74.1:
    * O T HA    HIS  122 - HB3   HIS  122   2.82 +/- 0.28  99.961% * 99.8702% (1.00  10.0 10.00   3.74  74.05) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  12.19 +/- 2.15   0.036% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.47 +/- 1.61   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  20.66 +/- 1.66   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 = 4.31, residual support = 74.1:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.999% * 99.8210% (1.00  10.0 10.00   4.31  74.05) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.01 +/- 1.11   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.43 +/- 1.76   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 = 6.1, residual support = 202.5:
    * O T HB2   LEU  123 - HA    LEU  123   2.91 +/- 0.18  99.576% * 98.5720% (1.00  10.0 10.00   6.10 202.47) =  99.999%  kept
        T QD    LYS+  99 - HA    LEU  123  11.63 +/- 2.21   0.116% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LEU  123   7.84 +/- 0.16   0.276% *  0.0304% (0.31   1.0  1.00   0.02   2.30) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  15.38 +/- 1.26   0.006% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  12.90 +/- 1.32   0.016% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  17.55 +/- 2.74   0.004% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  18.62 +/- 1.92   0.002% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  20.01 +/- 2.47   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  20.80 +/- 1.62   0.001% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  20.10 +/- 0.74   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  23.20 +/- 1.36   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  28.75 +/- 2.61   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 = 5.51, residual support = 202.5:
    * O T HB3   LEU  123 - HA    LEU  123   2.65 +/- 0.16  99.995% * 99.6484% (1.00  10.0 10.00   5.51 202.47) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  15.83 +/- 1.34   0.003% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  20.70 +/- 3.32   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.71 +/- 1.02   0.000% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  19.83 +/- 1.37   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  24.71 +/- 1.64   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 = 202.5:
    * O T HG    LEU  123 - HA    LEU  123   3.29 +/- 0.60  91.877% * 98.6685% (0.69  10.0 10.00   5.42 202.47) =  99.993%  kept
          HG3   PRO   68 - HA    LEU  123   8.58 +/- 2.86   4.007% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - HA    LEU  123   6.31 +/- 1.06   3.978% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    LEU  123  11.22 +/- 1.11   0.092% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  17.31 +/- 1.83   0.008% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  14.68 +/- 1.12   0.018% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  18.60 +/- 1.71   0.004% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  17.16 +/- 2.49   0.007% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  18.29 +/- 1.95   0.005% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  20.18 +/- 2.42   0.003% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  24.21 +/- 1.49   0.001% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  23.69 +/- 1.66   0.001% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  30.02 +/- 1.46   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  31.02 +/- 1.33   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 202.4:
    *   T QD1   LEU  123 - HA    LEU  123   2.57 +/- 0.82  89.136% * 99.6081% (1.00 10.00   6.04 202.47) =  99.989%  kept
          QG1   VAL   70 - HA    LEU  123   7.63 +/- 2.34  10.673% *  0.0919% (0.92  1.00   0.02   0.02) =   0.011%
          HB3   LEU   63 - HA    LEU  123   9.47 +/- 1.37   0.131% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.07 +/- 1.92   0.033% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  14.72 +/- 2.43   0.020% *  0.0996% (1.00  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  15.27 +/- 1.88   0.008% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 4 structures by 0.30 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 202.5:
    *   T QD2   LEU  123 - HA    LEU  123   2.78 +/- 0.32  99.888% * 99.9316% (1.00 10.00   4.75 202.47) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.35 +/- 0.37   0.085% *  0.0486% (0.49  1.00   0.02   2.30) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.07 +/- 1.92   0.026% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 202.5:
    * O T HA    LEU  123 - HB2   LEU  123   2.91 +/- 0.18  99.957% * 98.7431% (1.00  10.0 10.00   6.10 202.47) = 100.000%  kept
        T HA    LYS+  99 - HB2   LEU  123  16.01 +/- 2.43   0.007% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LEU  123  12.80 +/- 0.81   0.016% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  15.67 +/- 2.49   0.009% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  16.46 +/- 1.47   0.004% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  15.64 +/- 1.45   0.005% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  22.83 +/- 2.68   0.001% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  21.25 +/- 2.02   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  26.81 +/- 2.41   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 = 5.42, residual support = 202.5:
    * O T HG    LEU  123 - HB2   LEU  123   2.45 +/- 0.28  99.482% * 97.8726% (0.69  10.0 10.00   5.42 202.47) = 100.000%  kept
          HG3   PRO   68 - HB2   LEU  123  10.97 +/- 3.14   0.253% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   LEU  123   7.74 +/- 1.25   0.236% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  14.16 +/- 1.36   0.003% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  10.74 +/- 1.37   0.021% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  18.21 +/- 2.26   0.001% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  18.50 +/- 1.72   0.001% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  18.47 +/- 1.88   0.001% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  16.66 +/- 1.83   0.002% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  21.86 +/- 2.10   0.000% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  22.80 +/- 1.80   0.000% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  23.95 +/- 1.69   0.000% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  30.50 +/- 1.47   0.000% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  30.20 +/- 1.56   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 = 5.95, residual support = 202.5:
    * O T QD1   LEU  123 - HB2   LEU  123   2.70 +/- 0.27  99.764% * 99.6081% (1.00  10.0 10.00   5.95 202.47) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  123   9.24 +/- 2.17   0.166% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123  10.28 +/- 1.64   0.048% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  12.11 +/- 1.99   0.017% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  16.20 +/- 2.20   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  16.32 +/- 1.82   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.85, residual support = 202.5:
    * O T QD2   LEU  123 - HB2   LEU  123   2.87 +/- 0.39  99.656% * 99.4960% (1.00  10.0 10.00   4.85 202.47) =  99.998%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.24 +/- 0.83   0.312% *  0.4843% (0.49   1.0 10.00   0.02   2.30) =   0.002%
          HB3   LEU  104 - HB2   LEU  123  12.11 +/- 1.99   0.032% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 202.5:
    * O T HA    LEU  123 - HG    LEU  123   3.29 +/- 0.60  99.850% * 99.5102% (0.69  10.0 10.00   5.42 202.47) = 100.000%  kept
          HA    ASP- 113 - HG    LEU  123  12.18 +/- 1.20   0.076% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU  123  15.24 +/- 1.74   0.021% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  14.16 +/- 1.40   0.025% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  16.84 +/- 2.65   0.011% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  16.28 +/- 2.70   0.014% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  23.48 +/- 2.91   0.001% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  20.68 +/- 2.40   0.002% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  26.31 +/- 2.81   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 = 5.42, residual support = 202.5:
    * O T HB2   LEU  123 - HG    LEU  123   2.45 +/- 0.28  99.848% * 96.6014% (0.69  10.0 10.00   5.42 202.47) = 100.000%  kept
          HB2   LYS+ 121 - HG    LEU  123   7.68 +/- 0.61   0.116% *  0.0298% (0.21   1.0  1.00   0.02   2.30) =   0.000%
        T QD    LYS+  65 - HG    LEU  123  12.97 +/- 1.45   0.009% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  13.64 +/- 2.25   0.020% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.75 +/- 1.40   0.001% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  19.28 +/- 1.68   0.001% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  19.84 +/- 1.91   0.001% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  15.10 +/- 1.42   0.002% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  19.93 +/- 2.65   0.001% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  20.86 +/- 2.56   0.001% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  21.84 +/- 1.45   0.000% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  28.81 +/- 2.81   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 = 202.5:
    * O T HB3   LEU  123 - HG    LEU  123   2.74 +/- 0.15  99.991% * 97.8109% (0.69  10.0 10.00   5.12 202.47) = 100.000%  kept
        T HD3   LYS+ 111 - HG    LEU  123  18.43 +/- 1.61   0.001% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  22.43 +/- 3.24   0.001% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG    LEU  123  14.63 +/- 1.40   0.006% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  23.11 +/- 1.55   0.000% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  19.76 +/- 1.68   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 0.03 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 = 202.5:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.02  99.548% * 99.6081% (0.69  10.0 10.00   5.61 202.47) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123   9.33 +/- 2.43   0.416% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123   9.60 +/- 1.90   0.032% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  13.28 +/- 2.09   0.002% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  16.18 +/- 2.48   0.001% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  15.57 +/- 1.93   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 = 202.5:
    * O T QD2   LEU  123 - HG    LEU  123   2.12 +/- 0.01  99.983% * 99.9316% (0.69  10.0 10.00   4.44 202.47) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.43 +/- 0.69   0.015% *  0.0486% (0.33   1.0  1.00   0.02   2.30) =   0.000%
          HB3   LEU  104 - HG    LEU  123  13.28 +/- 2.09   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 = 6.04, residual support = 202.5:
    *   T HA    LEU  123 - QD1   LEU  123   2.57 +/- 0.82  99.624% * 99.5102% (1.00 10.00   6.04 202.47) = 100.000%  kept
          HA    ASP- 113 - QD1   LEU  123  10.14 +/- 0.83   0.178% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  10.96 +/- 1.29   0.084% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  13.34 +/- 1.90   0.034% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU  123  12.04 +/- 1.32   0.026% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  12.80 +/- 1.91   0.043% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  18.83 +/- 2.08   0.003% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  16.27 +/- 1.83   0.006% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  21.01 +/- 2.23   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 = 5.95, residual support = 202.5:
    * O T HB2   LEU  123 - QD1   LEU  123   2.70 +/- 0.27  98.858% * 99.3293% (1.00  10.0 10.00   5.95 202.47) = 100.000%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.93 +/- 0.29   1.021% *  0.0307% (0.31   1.0  1.00   0.02   2.30) =   0.000%
          QD    LYS+  65 - QD1   LEU  123  10.00 +/- 1.23   0.054% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU  123  10.88 +/- 1.54   0.033% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.09 +/- 0.96   0.016% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.61 +/- 0.68   0.005% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  15.40 +/- 1.26   0.004% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  16.16 +/- 1.44   0.003% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  16.09 +/- 1.93   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  16.38 +/- 1.82   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  17.58 +/- 1.04   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  23.10 +/- 2.37   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 202.5:
    * O T HB3   LEU  123 - QD1   LEU  123   2.86 +/- 0.40  99.939% * 99.6484% (1.00  10.0 10.00   5.72 202.47) = 100.000%  kept
          QB    ALA   57 - QD1   LEU  123  11.54 +/- 1.30   0.044% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD1   LEU  123  15.18 +/- 0.84   0.006% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD1   LEU  123  15.47 +/- 1.37   0.006% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD1   LEU  123  17.87 +/- 2.40   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  18.58 +/- 1.36   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 0.30 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 202.5:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.02  97.737% * 98.8924% (0.69  10.0 10.00   5.61 202.47) =  99.999%  kept
          QB    LYS+  66 - QD1   LEU  123   4.84 +/- 1.09   1.932% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   LEU  123   8.14 +/- 2.54   0.298% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD1   LEU  123   8.96 +/- 1.06   0.021% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  11.55 +/- 0.94   0.004% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  12.37 +/- 1.53   0.004% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  15.63 +/- 1.30   0.001% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  15.34 +/- 1.47   0.001% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  14.66 +/- 1.70   0.001% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  17.48 +/- 1.73   0.000% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  18.16 +/- 1.37   0.000% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  17.62 +/- 1.35   0.000% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  24.27 +/- 1.07   0.000% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  23.95 +/- 1.17   0.000% *  0.0815% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1604 (0.86, 0.86, 26.01 ppm):
    1 diagonal assignment:
    *     QD1   LEU  123 - QD1   LEU  123  (1.00)  kept
 
    Peak 1605 (0.82, 0.86, 26.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 202.5:
    * O T QD2   LEU  123 - QD1   LEU  123   2.09 +/- 0.05  99.943% * 99.7540% (1.00  10.0 10.00   4.91 202.47) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.55 +/- 0.32   0.048% *  0.0486% (0.49   1.0  1.00   0.02   2.30) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123  10.54 +/- 1.71   0.009% *  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 = 202.5:
    *   T HA    LEU  123 - QD2   LEU  123   2.78 +/- 0.32  99.909% * 99.5102% (1.00 10.00   4.75 202.47) = 100.000%  kept
          HA    ASP- 113 - QD2   LEU  123  11.10 +/- 0.77   0.032% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU  123  13.34 +/- 1.20   0.011% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  11.94 +/- 1.08   0.023% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  14.91 +/- 2.39   0.008% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  14.31 +/- 2.54   0.013% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  20.23 +/- 2.74   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  17.13 +/- 2.34   0.003% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  21.62 +/- 2.65   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.85, residual support = 202.5:
    * O T HB2   LEU  123 - QD2   LEU  123   2.87 +/- 0.39  99.526% * 99.0560% (1.00  10.0 10.00   4.85 202.47) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.93 +/- 0.64   0.317% *  0.3057% (0.31   1.0 10.00   0.02   2.30) =   0.001%
          QD    LYS+  99 - QD2   LEU  123  12.09 +/- 1.91   0.057% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU  123  10.43 +/- 1.21   0.068% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  13.85 +/- 1.25   0.012% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  15.89 +/- 1.01   0.005% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  17.02 +/- 1.13   0.003% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  17.06 +/- 2.38   0.005% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  17.60 +/- 1.67   0.003% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  18.04 +/- 2.52   0.004% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  19.33 +/- 1.04   0.001% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  25.05 +/- 2.09   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 = 202.5:
    * O T HB3   LEU  123 - QD2   LEU  123   2.37 +/- 0.36  99.988% * 99.6484% (1.00  10.0 10.00   4.43 202.47) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  12.52 +/- 1.07   0.007% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.51 +/- 1.08   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  19.04 +/- 3.12   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  17.05 +/- 1.52   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  19.74 +/- 1.11   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 = 202.5:
    * O T HG    LEU  123 - QD2   LEU  123   2.12 +/- 0.01  98.493% * 98.6685% (0.69  10.0 10.00   4.44 202.47) =  99.999%  kept
          HG3   PRO   68 - QD2   LEU  123   8.67 +/- 2.77   0.522% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD2   LEU  123   5.56 +/- 1.29   0.971% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  10.96 +/- 1.24   0.007% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  13.81 +/- 1.55   0.002% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  13.33 +/- 1.14   0.002% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  17.50 +/- 1.58   0.000% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  18.68 +/- 2.35   0.000% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  16.43 +/- 2.34   0.001% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  17.25 +/- 1.81   0.000% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  19.35 +/- 1.24   0.000% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  19.09 +/- 1.31   0.000% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  25.62 +/- 1.58   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  26.10 +/- 1.17   0.000% *  0.0929% (0.65   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 = 202.5:
    * O T QD1   LEU  123 - QD2   LEU  123   2.09 +/- 0.05  98.606% * 99.6081% (1.00  10.0 10.00   4.91 202.47) =  99.999%  kept
          QG1   VAL   70 - QD2   LEU  123   8.08 +/- 2.38   1.254% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  123   8.51 +/- 2.01   0.133% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  12.28 +/- 1.75   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  13.91 +/- 2.31   0.002% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  13.29 +/- 1.75   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 = 9.23:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.02  99.801% * 97.4620% (1.00  10.0 10.00   1.00   9.23) = 100.000%  kept
        T HB2   LEU   31 - HA    ALA   34   7.71 +/- 0.27   0.046% *  0.0730% (0.07   1.0 10.00   0.02   4.50) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.75 +/- 0.33   0.104% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  10.28 +/- 0.99   0.010% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.33 +/- 1.05   0.001% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  17.13 +/- 2.60   0.001% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   8.93 +/- 0.71   0.021% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  14.55 +/- 2.32   0.002% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  25.16 +/- 2.39   0.000% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  18.70 +/- 1.61   0.000% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  27.66 +/- 1.52   0.000% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  20.05 +/- 1.75   0.000% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.62 +/- 0.90   0.008% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  21.14 +/- 1.78   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  17.94 +/- 1.32   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  15.96 +/- 0.74   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  22.96 +/- 1.37   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.08 +/- 0.97   0.001% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  20.26 +/- 3.01   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  22.59 +/- 1.34   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  13.75 +/- 1.70   0.002% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  20.16 +/- 2.32   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.68 +/- 1.49   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  20.08 +/- 2.99   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  16.99 +/- 0.90   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  22.64 +/- 1.99   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.15 +/- 0.84   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  32.34 +/- 2.29   0.000% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  27.99 +/- 1.76   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  28.40 +/- 2.18   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, 61.60 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 61.60 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.23:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  99.997% * 98.8388% (1.00  10.0 10.00   1.00   9.23) = 100.000%  kept
        T HA    ALA   34 - QB    ALA  124  17.13 +/- 2.60   0.001% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.04 +/- 0.85   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  23.30 +/- 2.36   0.000% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  20.94 +/- 2.74   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  17.87 +/- 2.11   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  22.23 +/- 1.17   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  29.42 +/- 1.38   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 = 5.49, residual support = 202.5:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 97.4949% (1.00  10.0 10.00   5.49 202.47) = 100.000%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  18.76 +/- 1.30   0.000% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  22.44 +/- 3.13   0.000% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  15.79 +/- 1.61   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  20.59 +/- 1.35   0.000% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  24.40 +/- 1.90   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 = 5.49, residual support = 202.5:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.982% * 96.4170% (0.99  10.0 10.00   5.49 202.47) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   7.88 +/- 0.68   0.015% *  0.0365% (0.38   1.0  1.00   0.02   2.30) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  13.98 +/- 1.47   0.000% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  19.26 +/- 2.63   0.000% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  19.50 +/- 1.73   0.000% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  19.00 +/- 0.89   0.000% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  13.03 +/- 2.03   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  15.51 +/- 1.46   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  20.78 +/- 1.94   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  21.67 +/- 2.61   0.000% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  29.80 +/- 2.57   0.000% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  23.19 +/- 1.61   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 = 5.72, residual support = 202.5:
    * O T QD1   LEU  123 - HB3   LEU  123   2.86 +/- 0.40  99.010% * 99.6081% (1.00  10.0 10.00   5.72 202.47) =  99.999%  kept
          QG1   VAL   70 - HB3   LEU  123   9.37 +/- 2.42   0.901% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123  10.58 +/- 1.82   0.066% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  12.94 +/- 1.68   0.016% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  16.43 +/- 2.44   0.004% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  16.53 +/- 2.08   0.003% *  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 = 202.5:
    * O T QD2   LEU  123 - HB3   LEU  123   2.37 +/- 0.36  99.931% * 99.9316% (1.00  10.0 10.00   4.43 202.47) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.26 +/- 0.73   0.060% *  0.0486% (0.49   1.0  1.00   0.02   2.30) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  12.94 +/- 1.68   0.009% *  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 = 202.4:
    * O T HG    LEU  123 - HB3   LEU  123   2.74 +/- 0.15  97.159% * 95.7694% (0.69  10.0 10.00   5.12 202.47) =  99.967%  kept
        T HG3   PRO   68 - HB3   LEU  123  10.66 +/- 3.39   2.340% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.032%
          QB    LYS+  66 - HB3   LEU  123   7.54 +/- 1.36   0.469% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  11.70 +/- 1.07   0.021% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  22.07 +/- 2.43   0.001% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  15.01 +/- 1.08   0.004% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  24.36 +/- 1.68   0.000% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  19.38 +/- 1.47   0.001% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  18.78 +/- 2.38   0.002% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  19.30 +/- 1.71   0.001% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  17.24 +/- 1.96   0.002% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  23.44 +/- 1.83   0.000% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  31.30 +/- 1.53   0.000% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  30.79 +/- 1.54   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 = 5.51, residual support = 202.5:
    * O T HA    LEU  123 - HB3   LEU  123   2.65 +/- 0.16  99.981% * 99.5102% (1.00  10.0 10.00   5.51 202.47) = 100.000%  kept
          HA    ASP- 113 - HB3   LEU  123  13.46 +/- 0.75   0.007% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  16.54 +/- 2.44   0.003% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  16.95 +/- 1.61   0.002% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  16.10 +/- 2.63   0.004% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  15.86 +/- 1.67   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  23.18 +/- 2.88   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  21.14 +/- 2.41   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  26.50 +/- 2.83   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 = 0.984, support = 5.52, residual support = 315.7:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  92.843% * 76.1572% (1.00  10.0   5.49 315.73) =  97.680%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.41 +/- 0.81   7.144% * 23.5057% (0.31  10.0   7.09 315.73) =   2.320%  kept
          HG    LEU  104 - HD3   LYS+ 121   9.61 +/- 2.09   0.009% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  12.66 +/- 1.88   0.001% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  12.62 +/- 2.29   0.002% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  12.44 +/- 1.75   0.001% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  18.53 +/- 1.58   0.000% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  21.38 +/- 1.36   0.000% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  20.65 +/- 1.54   0.000% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  19.90 +/- 1.81   0.000% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 315.7:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.72 +/- 0.29  97.822% * 99.7211% (1.00  10.0   6.28 315.73) =  99.998%  kept
          QG2   VAL  107 - HD3   LYS+ 121   8.14 +/- 1.67   2.043% *  0.0921% (0.92   1.0   0.02   0.02) =   0.002%
          HG13  ILE  119 - HD3   LYS+ 121   9.04 +/- 0.64   0.097% *  0.0308% (0.31   1.0   0.02   3.18) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  11.83 +/- 1.76   0.036% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  21.14 +/- 1.38   0.001% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  19.95 +/- 1.93   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 = 315.7:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.62 +/- 0.29  99.891% * 98.9917% (1.00  10.0 10.00   5.98 315.73) = 100.000%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  11.80 +/- 1.48   0.020% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+ 121   9.18 +/- 0.86   0.085% *  0.0482% (0.49   1.0  1.00   0.02   2.30) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  15.84 +/- 1.81   0.003% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  19.86 +/- 1.79   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 = 7.15, residual support = 315.7:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.23 +/- 0.22  99.341% * 99.2313% (1.00  10.0  1.00   7.15 315.73) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.31 +/- 1.05   0.585% *  0.0306% (0.31   1.0  1.00   0.02   2.30) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  14.77 +/- 1.93   0.015% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  13.99 +/- 2.07   0.023% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  17.50 +/- 1.41   0.005% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  17.88 +/- 2.31   0.005% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  17.07 +/- 3.12   0.012% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  15.89 +/- 1.74   0.011% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  19.39 +/- 1.92   0.003% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  24.74 +/- 3.79   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 0.03 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.86, residual support = 315.7:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.34 +/- 0.16  99.571% * 99.7880% (1.00  10.0   5.86 315.73) = 100.000%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.29 +/- 1.34   0.429% *  0.0833% (0.84   1.0   0.02  50.01) =   0.000%
          HG2   GLN   30 - HD3   LYS+ 121  23.74 +/- 1.59   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  24.97 +/- 1.58   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  28.53 +/- 1.63   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 = 6.72, residual support = 315.6:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.01 +/- 0.58  68.026% * 99.1042% (1.00 10.00   6.72 315.73) =  99.961%  kept
          QB    SER  117 - HD3   LYS+ 121   5.49 +/- 1.92  29.410% *  0.0828% (0.84  1.00   0.02   0.02) =   0.036%
          HA    ALA  120 - HD3   LYS+ 121   7.17 +/- 0.86   2.413% *  0.0757% (0.76  1.00   0.02   1.76) =   0.003%
        T HA    LYS+  65 - HD3   LYS+ 121  17.87 +/- 1.78   0.014% *  0.3381% (0.34 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  15.88 +/- 1.98   0.047% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+ 121  13.31 +/- 1.19   0.080% *  0.0276% (0.28  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  21.56 +/- 2.26   0.005% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  24.79 +/- 2.22   0.002% *  0.0937% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  24.76 +/- 2.15   0.002% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  25.53 +/- 2.78   0.002% *  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 = 7.75, residual support = 315.7:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.77 +/- 0.18  94.921% * 99.7211% (0.84  10.0 10.00   7.75 315.73) =  99.995%  kept
          QG2   VAL  107 - HB3   LYS+ 121   8.36 +/- 1.62   4.914% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.005%
          HG13  ILE  119 - HB3   LYS+ 121   8.48 +/- 0.47   0.137% *  0.0308% (0.26   1.0  1.00   0.02   3.18) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  11.37 +/- 1.44   0.026% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  20.13 +/- 1.39   0.001% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  18.73 +/- 1.35   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 = 7.08, residual support = 315.7:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.48 +/- 0.26  99.873% * 99.5295% (0.84  10.0 10.00   7.08 315.73) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.25 +/- 0.55   0.110% *  0.0484% (0.41   1.0  1.00   0.02   2.30) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  14.66 +/- 1.11   0.003% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  11.75 +/- 1.25   0.013% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  18.71 +/- 1.86   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 = 8.87, residual support = 315.7:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.974% * 97.1314% (0.84  10.0 10.00   8.87 315.73) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   7.13 +/- 0.58   0.025% *  0.0300% (0.26   1.0  1.00   0.02   2.30) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  13.52 +/- 1.58   0.001% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  16.32 +/- 1.85   0.000% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  16.55 +/- 1.72   0.000% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  16.21 +/- 1.36   0.000% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  15.59 +/- 1.52   0.000% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  17.39 +/- 2.50   0.000% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  18.49 +/- 1.93   0.000% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  24.39 +/- 3.39   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 = 0.817, support = 6.79, residual support = 281.1:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.96 +/- 0.44  80.510% * 60.9510% (0.84  1.00   7.03 315.73) =  86.963%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.30 +/- 0.68  19.485% * 37.7534% (0.70  1.00   5.21  50.01) =  13.036%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  22.37 +/- 1.42   0.003% *  1.1911% (0.57 10.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  23.94 +/- 1.23   0.002% *  0.0777% (0.37  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  28.15 +/- 1.35   0.001% *  0.0268% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.25, residual support = 315.7:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.74 +/- 0.21  98.479% * 99.1042% (0.84  10.0 10.00   8.25 315.73) =  99.999%  kept
          HA    ALA  120 - HB3   LYS+ 121   6.19 +/- 0.30   0.901% *  0.0757% (0.64   1.0  1.00   0.02   1.76) =   0.001%
          QB    SER  117 - HB3   LYS+ 121   6.69 +/- 0.64   0.591% *  0.0828% (0.70   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HB3   LYS+ 121  16.32 +/- 2.13   0.004% *  0.3381% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.30 +/- 1.35   0.018% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  15.82 +/- 1.52   0.004% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  19.85 +/- 2.32   0.001% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  24.57 +/- 1.92   0.000% *  0.0937% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  24.87 +/- 1.81   0.000% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  25.61 +/- 2.31   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 = 0.808, support = 8.72, residual support = 315.7:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  81.758% * 55.3563% (0.84  10.0 10.00   8.87 315.73) =  85.274%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.61 +/- 0.83  18.230% * 42.8727% (0.65  10.0 10.00   7.84 315.73) =  14.726%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  11.12 +/- 2.05   0.003% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   9.19 +/- 1.81   0.008% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.78 +/- 1.72   0.000% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.64 +/- 1.77   0.000% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.82 +/- 1.13   0.001% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.33 +/- 1.22   0.000% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.38 +/- 0.83   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 = 0.761, support = 7.96, residual support = 306.5:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.74 +/- 0.21  33.493% * 52.0655% (0.84  10.0 10.00   8.25 315.73) =  80.152%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.72 +/- 0.46   7.449% * 40.3240% (0.65   1.0 10.00   7.49 315.73) =  13.807%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.47 +/- 0.30  58.538% *  2.2150% (0.04  10.0 10.00   5.27 164.86) =   5.960%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.68 +/- 0.71   0.470% *  3.7757% (0.06   1.0 10.00   5.53  25.68) =   0.082%
        T QD    LYS+  66 - HA    LYS+ 121  11.25 +/- 2.07   0.019% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+ 121  10.13 +/- 1.44   0.017% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.88 +/- 1.43   0.001% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.77 +/- 1.40   0.005% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.95 +/- 1.60   0.000% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.71 +/- 0.94   0.002% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.32 +/- 2.13   0.001% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.29 +/- 1.82   0.001% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.11 +/- 0.98   0.000% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.73 +/- 0.94   0.003% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.56 +/- 1.20   0.000% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.59 +/- 1.01   0.001% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.93 +/- 1.75   0.000% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.35 +/- 1.61   0.000% *  0.0028% (0.05   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 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.969, support = 6.67, residual support = 311.0:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.01 +/- 0.58  26.495% * 97.6597% (1.00   1.0 10.00   6.72 315.73) =  96.858%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.20 +/- 0.51  69.182% *  1.2130% (0.01  10.0 10.00   5.27 164.86) =   3.141%  kept
          QB    ALA   61 - HA    LYS+  65   5.87 +/- 0.50   2.188% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.62 +/- 0.95   1.915% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.11 +/- 1.09   0.021% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  18.10 +/- 1.36   0.003% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  13.42 +/- 2.54   0.024% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  15.06 +/- 1.68   0.007% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.92 +/- 1.35   0.014% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.87 +/- 1.78   0.003% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  15.22 +/- 1.01   0.007% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.16 +/- 1.92   0.001% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  11.59 +/- 1.11   0.043% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.39 +/- 1.06   0.016% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.39 +/- 1.20   0.001% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  21.61 +/- 1.66   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.33 +/- 0.87   0.045% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.01 +/- 1.45   0.003% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  15.60 +/- 1.68   0.007% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.78 +/- 1.00   0.004% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  19.91 +/- 1.31   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  27.47 +/- 2.50   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  26.18 +/- 2.16   0.000% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  17.58 +/- 2.08   0.004% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.15 +/- 0.86   0.011% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  27.66 +/- 2.65   0.000% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  23.09 +/- 1.88   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  23.30 +/- 2.10   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 26.01 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 26.66 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 228.0:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.816% * 98.6779% (1.00  10.0 10.00   6.15 227.98) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.50 +/- 0.47   0.128% *  0.0305% (0.31   1.0  1.00   0.02  16.14) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   8.11 +/- 2.38   0.032% *  0.0927% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   9.33 +/- 1.48   0.007% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.72 +/- 2.17   0.000% *  0.7902% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40   9.28 +/- 1.96   0.013% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.70 +/- 1.22   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  17.79 +/- 2.03   0.000% *  0.1158% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.46 +/- 1.42   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  17.50 +/- 2.46   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  11.81 +/- 1.11   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.29 +/- 2.11   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.95 +/- 1.39   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  16.88 +/- 1.25   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  20.70 +/- 0.99   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.07 +/- 1.58   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 = 6.24, residual support = 231.9:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.995% * 98.3538% (1.00  10.0 10.00   6.24 231.94) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  10.71 +/- 1.60   0.004% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  19.59 +/- 2.05   0.000% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  17.74 +/- 2.64   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  17.09 +/- 1.27   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  15.60 +/- 1.69   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  19.41 +/- 1.80   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.46 +/- 1.25   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  22.21 +/- 1.87   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.77 +/- 1.63   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.93 +/- 2.05   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  27.12 +/- 2.24   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  30.29 +/- 2.17   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  30.69 +/- 2.63   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 = 0.936, support = 4.33, residual support = 231.9:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  94.167% * 56.6026% (0.95  10.0   4.27 231.94) =  95.505%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.22 +/- 0.65   5.799% * 43.2573% (0.72  10.0   5.68 231.94) =   4.495%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.09 +/- 1.68   0.033% *  0.0212% (0.36   1.0   0.02  28.08) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  13.11 +/- 1.64   0.001% *  0.0453% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  20.07 +/- 3.54   0.000% *  0.0175% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  23.99 +/- 2.57   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 = 0.998, support = 6.81, residual support = 313.6:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  79.390% * 97.3629% (1.00  10.0   6.85 315.30) =  99.452%  kept
          QB    GLU- 114 - HB3   LYS+ 111   2.85 +/- 1.38  20.608% *  2.0671% (0.57   1.0   0.75   0.02) =   0.548%  kept
          HB    ILE  119 - HB3   LYS+ 111  10.76 +/- 1.06   0.002% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.84 +/- 2.07   0.000% *  0.0845% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  25.31 +/- 1.99   0.000% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  22.80 +/- 2.52   0.000% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  25.76 +/- 1.51   0.000% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  23.74 +/- 1.64   0.000% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  26.97 +/- 1.89   0.000% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  31.02 +/- 2.50   0.000% *  0.0873% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  25.33 +/- 1.87   0.000% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  26.72 +/- 2.72   0.000% *  0.0271% (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, 63.87 ppm):
    1 diagonal assignment:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
 
    Peak 1745 (1.15, 1.15, 62.58 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 58.2:
    * O T QG1   VAL  107 - HA    VAL  107   2.32 +/- 0.33  99.924% * 99.7711% (1.00  10.0 10.00   4.31  58.23) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.46 +/- 1.65   0.016% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   8.90 +/- 1.02   0.038% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  10.81 +/- 1.51   0.019% *  0.0154% (0.15   1.0  1.00   0.02   0.16) =   0.000%
          QG1   VAL   24 - HA    VAL  107  18.29 +/- 2.43   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    VAL  107  18.01 +/- 1.82   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  18.66 +/- 0.94   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 58.2:
    * O T QG2   VAL  107 - HA    VAL  107   2.58 +/- 0.22  99.760% * 99.7501% (1.00  10.0 10.00   3.63  58.23) = 100.000%  kept
          HG2   LYS+ 121 - HA    VAL  107  10.01 +/- 1.80   0.116% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    VAL  107  10.13 +/- 0.70   0.037% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   8.90 +/- 1.02   0.085% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.34 +/- 0.62   0.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  18.66 +/- 0.94   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 = 3.15, residual support = 41.4:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.98 +/- 0.15  90.486% * 83.8224% (1.00  10.0 10.00   3.14  41.73) =  98.309%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.52 +/- 0.29   8.388% * 15.5438% (0.87   1.0  1.00   4.28  20.34) =   1.690%  kept
          HB    ILE  103 - HA    ASP- 105   6.80 +/- 0.40   0.718% *  0.0831% (0.99   1.0  1.00   0.02   3.18) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.52 +/- 0.42   0.380% *  0.0129% (0.15   1.0  1.00   0.02   3.18) =   0.000%
          HG    LEU  123 - HA    ASP- 105  13.72 +/- 1.47   0.011% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  17.11 +/- 2.48   0.004% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  15.79 +/- 0.82   0.004% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  18.64 +/- 0.52   0.002% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.35 +/- 0.76   0.002% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  19.56 +/- 2.02   0.001% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  22.68 +/- 0.99   0.001% *  0.0793% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.22 +/- 0.89   0.000% *  0.0836% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  23.44 +/- 1.75   0.000% *  0.0752% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.93 +/- 0.73   0.001% *  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 = 3.22, residual support = 41.7:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.971% * 99.5527% (0.95  10.0 10.00   3.22  41.73) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   8.79 +/- 1.01   0.008% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105   8.10 +/- 1.78   0.018% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  10.87 +/- 1.16   0.002% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  14.81 +/- 1.15   0.000% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  18.09 +/- 1.26   0.000% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  22.42 +/- 0.97   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.72 +/- 1.17   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.80 +/- 0.93   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 = 4.9, residual support = 140.3:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.998% * 66.9933% (1.00  10.0  1.00   4.73 135.68) =  67.312%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.998% * 32.5339% (0.49  10.0  1.00   5.25 149.95) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  12.81 +/- 2.59   0.001% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.30 +/- 1.83   0.002% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  11.62 +/- 1.53   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  20.53 +/- 2.02   0.000% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.08 +/- 1.71   0.000% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  20.06 +/- 1.19   0.000% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  21.32 +/- 1.72   0.000% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  17.32 +/- 1.02   0.000% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  19.43 +/- 1.77   0.000% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  17.73 +/- 1.98   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  21.40 +/- 1.37   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  17.58 +/- 1.03   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  22.74 +/- 1.34   0.000% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  23.27 +/- 2.88   0.000% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.45 +/- 1.80   0.000% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  25.55 +/- 2.33   0.000% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.85 +/- 1.07   0.000% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  28.92 +/- 1.92   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 = 138.2:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.926% * 99.2815% (0.80  10.0 10.00   4.31 138.16) = 100.000%  kept
          HB    VAL   41 - HG13  ILE  103   7.07 +/- 1.05   0.032% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE  103   6.52 +/- 0.33   0.040% *  0.0900% (0.73   1.0  1.00   0.02  22.40) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  12.04 +/- 0.93   0.001% *  0.0702% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  16.00 +/- 1.27   0.000% *  0.1237% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.27 +/- 1.13   0.000% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  18.26 +/- 1.85   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.86 +/- 0.99   0.000% *  0.0752% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  20.66 +/- 1.70   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 = 187.4:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.971% * 99.4757% (0.80  10.0   5.69 187.42) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   7.08 +/- 0.64   0.027% *  0.0654% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  12.14 +/- 1.53   0.001% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  15.68 +/- 0.90   0.000% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  14.64 +/- 1.79   0.000% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  17.02 +/- 1.64   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  19.15 +/- 1.05   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.27 +/- 0.80   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.49 +/- 1.14   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  21.14 +/- 1.74   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 = 217.3:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.997% * 99.3078% (1.00  10.0 10.00   5.16 217.33) = 100.000%  kept
          HG3   LYS+ 111 - HG13  ILE   89  16.01 +/- 4.61   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  13.09 +/- 2.00   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  19.08 +/- 3.64   0.001% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  23.54 +/- 2.41   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  21.04 +/- 2.22   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  20.67 +/- 1.95   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  20.89 +/- 2.06   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, 50.60 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 57.72 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 57.72 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.3:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.02  99.952% * 99.6237% (1.00  10.0 10.00   2.81  24.30) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   8.96 +/- 0.89   0.022% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   9.35 +/- 0.95   0.018% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.14 +/- 1.87   0.003% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  15.38 +/- 2.00   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  12.37 +/- 1.33   0.003% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  19.79 +/- 0.89   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.33 +/- 1.21   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  18.38 +/- 1.38   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  27.04 +/- 1.84   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, 56.43 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 9.91:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.996% * 97.5263% (1.00  10.0 10.00   2.81   9.91) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51  10.35 +/- 0.62   0.003% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  18.97 +/- 2.09   0.000% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  12.81 +/- 1.17   0.001% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  17.31 +/- 1.97   0.000% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.41 +/- 1.26   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.59 +/- 0.76   0.000% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  22.28 +/- 1.67   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  30.76 +/- 1.53   0.000% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  39.24 +/- 3.00   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 = 2.69, residual support = 65.2:
    * O   QG2   VAL   24 - QG1   VAL   24   2.06 +/- 0.04  99.999% * 99.5951% (1.00  10.0  1.00   2.69  65.16) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  15.65 +/- 2.07   0.001% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  18.87 +/- 1.61   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  23.85 +/- 2.72   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, 31.51 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 58.05 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 154.1:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.987% * 99.4743% (1.00  10.0 10.00   6.04 154.11) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.58 +/- 0.40   0.008% *  0.0918% (0.92   1.0  1.00   0.02   8.21) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  11.90 +/- 2.32   0.003% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  14.94 +/- 3.17   0.002% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  19.53 +/- 1.14   0.000% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  21.40 +/- 1.93   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  19.76 +/- 2.43   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  27.85 +/- 1.23   0.000% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  16.32 +/- 1.21   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  15.99 +/- 2.12   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  21.48 +/- 0.87   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  28.97 +/- 1.63   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 = 4.54, residual support = 149.9:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.65 +/- 0.44  91.606% * 99.0807% (1.00  10.0   4.54 149.95) =  99.997%  kept
          HB2   ASP-  78 - QG    LYS+  81   4.60 +/- 0.69   7.347% *  0.0307% (0.31   1.0   0.02   1.02) =   0.002%
          HB2   ASN   35 - HG2   LYS+  33   7.94 +/- 0.82   0.235% *  0.0338% (0.34   1.0   0.02   1.16) =   0.000%
          HB2   ASP-  76 - QG    LYS+  81   6.60 +/- 0.64   0.667% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33  10.03 +/- 0.95   0.047% *  0.0971% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.77 +/- 0.38   0.053% *  0.0326% (0.33   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  15.20 +/- 4.45   0.009% *  0.0413% (0.42   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  12.72 +/- 2.43   0.021% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  15.32 +/- 1.62   0.004% *  0.0465% (0.47   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  18.44 +/- 1.86   0.001% *  0.0889% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  19.14 +/- 1.65   0.001% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  19.74 +/- 1.43   0.001% *  0.0601% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  21.42 +/- 3.74   0.001% *  0.0681% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  19.82 +/- 1.75   0.001% *  0.0474% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  20.52 +/- 1.41   0.001% *  0.0539% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  18.23 +/- 1.18   0.002% *  0.0205% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  18.40 +/- 1.44   0.001% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  20.61 +/- 1.49   0.001% *  0.0425% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.22 +/- 1.24   0.000% *  0.0641% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  22.00 +/- 1.94   0.000% *  0.0389% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  19.98 +/- 1.66   0.001% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  19.55 +/- 1.32   0.001% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  23.55 +/- 1.33   0.000% *  0.0162% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  27.50 +/- 0.42   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 = 5.67, residual support = 149.9:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.28 +/- 0.10  99.996% * 98.2551% (1.00  10.0 10.00   5.67 149.95) = 100.000%  kept
        T HG2   LYS+ 106 - QB    LYS+  33  18.18 +/- 0.97   0.000% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QB    LYS+  33  19.12 +/- 1.34   0.000% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  14.88 +/- 1.10   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  15.70 +/- 0.86   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  19.44 +/- 1.07   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  26.06 +/- 1.85   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 = 0.994, support = 4.83, residual support = 218.3:
    *     QE    LYS+  38 - HA    LYS+  38   4.48 +/- 0.38  70.283% * 93.9769% (1.00  1.00   4.84 219.50) =  99.371%  kept
          QE    LYS+  99 - HA    GLU- 100   6.49 +/- 0.61   9.203% *  4.2712% (0.05  1.00   4.06  38.17) =   0.591%  kept
          QE    LYS+  99 - HA    LYS+  38   7.23 +/- 0.87   5.797% *  0.3486% (0.90  1.00   0.02   0.02) =   0.030%
          QE    LYS+  38 - HA    GLU- 100   6.26 +/- 0.80  10.527% *  0.0235% (0.06  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HA    LYS+  38  11.53 +/- 1.59   0.391% *  0.3588% (0.92  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HA    GLU- 100   8.23 +/- 1.05   3.386% *  0.0217% (0.06  1.00   0.02   0.02) =   0.001%
        T HB3   TRP   27 - HA    LYS+  38  16.78 +/- 0.87   0.029% *  0.8654% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    LYS+  38  13.99 +/- 0.77   0.087% *  0.0769% (0.20  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  16.47 +/- 1.67   0.036% *  0.0523% (0.01 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.61 +/- 0.55   0.262% *  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 = 0.938, support = 4.51, residual support = 160.7:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.27 +/- 0.38  66.908% * 54.8141% (1.00  10.0 10.00   4.29 164.86) =  72.375%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.68 +/- 0.51  32.976% * 42.4513% (0.77  10.0 10.00   5.08 149.95) =  27.625%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.30 +/- 0.53   0.072% *  0.0287% (0.52   1.0  1.00   0.02   1.16) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33   9.89 +/- 1.64   0.029% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  17.88 +/- 1.96   0.001% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.21 +/- 1.67   0.001% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.06 +/- 2.15   0.008% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.86 +/- 1.44   0.000% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.56 +/- 1.40   0.000% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.07 +/- 1.12   0.000% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  16.36 +/- 4.25   0.002% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  20.49 +/- 5.16   0.001% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.11 +/- 1.03   0.000% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.26 +/- 2.34   0.001% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  21.40 +/- 4.15   0.000% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.08 +/- 1.17   0.000% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.65 +/- 1.61   0.000% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.57 +/- 1.10   0.000% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.10 +/- 1.06   0.000% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.93 +/- 1.98   0.000% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  24.36 +/- 1.04   0.000% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.59 +/- 1.67   0.000% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.80 +/- 1.52   0.000% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  29.33 +/- 1.68   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 = 4.56, residual support = 93.6:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.28 +/- 0.04  99.995% * 99.1144% (1.00  10.0 10.00   4.56  93.61) = 100.000%  kept
        T QG    GLN   90 - HG3   GLU-  29  21.96 +/- 1.65   0.000% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG3   GLU-  29  15.69 +/- 1.75   0.001% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  16.34 +/- 0.97   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  16.79 +/- 1.03   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  15.78 +/- 1.47   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  18.23 +/- 1.59   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  17.41 +/- 0.78   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  25.20 +/- 0.91   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  27.06 +/- 1.35   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  26.90 +/- 1.72   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 93.6:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 99.6674% (1.00  10.0 10.00   4.30  93.61) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  17.38 +/- 3.18   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  18.57 +/- 0.63   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  18.39 +/- 1.53   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  26.70 +/- 1.08   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  28.73 +/- 2.87   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.49 +/- 0.95   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 = 84.3:
    * O T QG    GLN   17 - HB3   GLN   17   2.35 +/- 0.13  99.990% * 98.5118% (0.76  10.0 10.00   4.31  84.34) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  11.53 +/- 1.02   0.008% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  18.11 +/- 0.97   0.001% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  17.19 +/- 0.92   0.001% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.48 +/- 0.92   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  20.79 +/- 1.10   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.75 +/- 1.69   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 = 84.3:
    * O T HA    GLN   17 - HB3   GLN   17   2.80 +/- 0.25  93.671% * 99.5390% (1.00  10.0 10.00   4.00  84.34) =  99.996%  kept
          HA    GLU-  15 - HB3   GLN   17   4.94 +/- 0.73   6.226% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   13 - HB3   GLN   17  10.35 +/- 1.16   0.083% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  13.78 +/- 1.65   0.008% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  14.68 +/- 0.86   0.005% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  17.40 +/- 1.14   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  18.04 +/- 0.99   0.001% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  16.38 +/- 1.18   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 = 84.3:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.922% * 97.4347% (1.00  10.0 10.00   4.00  84.34) =  99.999%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.27 +/- 0.45   0.053% *  0.9743% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB3   GLN   17  11.64 +/- 3.07   0.006% *  0.7802% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   GLN   17   7.81 +/- 0.81   0.016% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  12.26 +/- 1.24   0.001% *  0.4006% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  12.66 +/- 2.05   0.001% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  12.86 +/- 1.19   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  19.88 +/- 0.88   0.000% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  22.63 +/- 1.31   0.000% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  19.49 +/- 1.61   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  26.70 +/- 1.93   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  21.89 +/- 0.93   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 = 0.892, support = 3.14, residual support = 47.7:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.90 +/- 0.13  64.139% * 72.0932% (1.00  10.0 10.00   2.96  48.56) =  82.844%  kept
      O T HG3   MET   11 - HA    MET   11   3.29 +/- 0.54  35.780% * 26.7625% (0.37  10.0 10.00   4.00  43.63) =  17.156%  kept
        T HG3   MET   11 - HA    GLU-  14  11.05 +/- 1.05   0.029% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HA    MET   11  10.48 +/- 1.31   0.050% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.50 +/- 1.63   0.002% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.96 +/- 1.40   0.000% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.78 +/- 1.90   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  24.16 +/- 2.72   0.000% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  31.03 +/- 3.01   0.000% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.25 +/- 1.81   0.000% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  31.39 +/- 2.25   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  39.32 +/- 3.01   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 = 64.0:
    * O T HB2   MET   92 - HA    MET   92   2.98 +/- 0.15  99.315% * 99.5277% (1.00  10.0 10.00   3.87  63.97) = 100.000%  kept
          HB    ILE   56 - HA    MET   92   8.84 +/- 1.50   0.237% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    MET   92   7.75 +/- 0.63   0.396% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  12.07 +/- 0.49   0.024% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  12.79 +/- 1.53   0.021% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  15.97 +/- 0.66   0.004% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  20.87 +/- 1.03   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  29.86 +/- 0.57   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  23.45 +/- 1.02   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  29.09 +/- 1.86   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  38.99 +/- 3.06   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 = 4.21, residual support = 63.4:
    * O T HB3   MET   92 - HA    MET   92   2.69 +/- 0.19  95.183% * 83.8271% (1.00  10.0 10.00   4.20  63.97) =  99.099%  kept
          HG3   PRO   93 - HA    MET   92   4.50 +/- 0.20   4.662% * 15.5549% (0.76   1.0  1.00   4.86   1.56) =   0.901%  kept
          QG1   ILE   56 - HA    MET   92   8.27 +/- 0.30   0.124% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    MET   92  12.92 +/- 1.62   0.019% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  12.82 +/- 0.86   0.009% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  17.04 +/- 0.73   0.002% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  23.12 +/- 0.54   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  22.51 +/- 1.74   0.000% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  23.70 +/- 1.60   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  28.06 +/- 0.61   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 = 64.0:
    * O T HG2   MET   92 - HA    MET   92   2.75 +/- 0.35  80.782% * 99.5593% (1.00  10.0 10.00   2.49  63.97) =  99.985%  kept
          HG2   PRO   52 - HA    MET   92   4.70 +/- 2.39  19.177% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.015%
          QG    GLU- 114 - HA    MET   92  11.15 +/- 1.62   0.035% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  14.47 +/- 1.69   0.006% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  24.86 +/- 1.23   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  31.32 +/- 0.88   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  34.29 +/- 2.58   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 0.02 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 64.0:
    * O T HG3   MET   92 - HA    MET   92   3.12 +/- 0.64  99.253% * 99.3565% (1.00  10.0 10.00   3.97  63.97) = 100.000%  kept
          QG    GLN   90 - HA    MET   92   7.96 +/- 0.40   0.614% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  11.94 +/- 0.71   0.065% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   92  12.70 +/- 1.69   0.041% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  15.66 +/- 1.26   0.014% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  17.33 +/- 0.86   0.006% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.77 +/- 0.74   0.005% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  24.36 +/- 0.69   0.001% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  28.27 +/- 0.83   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  25.77 +/- 1.82   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  23.94 +/- 1.37   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 0.00 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 1.32, residual support = 5.46:
          HB    VAL  108 - QB    LYS+ 106   4.22 +/- 0.11  98.455% * 79.8645% (0.92  1.00   1.32   5.46) =  99.977%  kept
        T HB2   GLN   30 - QB    LYS+ 106  15.05 +/- 0.86   0.052% * 13.1160% (1.00 10.00   0.02   0.02) =   0.009%
          HB2   PRO   93 - QB    LYS+ 106   9.98 +/- 0.82   0.641% *  0.7426% (0.57  1.00   0.02   0.02) =   0.006%
          HB    ILE  119 - QB    LYS+ 106  11.27 +/- 1.04   0.318% *  1.3116% (1.00  1.00   0.02   0.02) =   0.005%
          HB2   LYS+ 111 - QB    LYS+ 106  11.05 +/- 1.34   0.384% *  0.2920% (0.22  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QB    LYS+ 106  14.59 +/- 0.74   0.061% *  1.3000% (0.99  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QB    LYS+ 106  16.96 +/- 1.03   0.025% *  1.1377% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QB    LYS+ 106  17.87 +/- 0.72   0.017% *  1.1377% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QB    LYS+ 106  17.85 +/- 1.35   0.020% *  0.6384% (0.49  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QB    LYS+ 106  18.50 +/- 1.17   0.016% *  0.2297% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QB    LYS+ 106  19.45 +/- 1.28   0.012% *  0.2297% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 9 structures by 0.89 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 27.2:
      O   HN    ASP-  76 - HA    VAL   75   2.20 +/- 0.02  99.629% * 99.8873% (0.76  10.0   4.64  27.25) = 100.000%  kept
          HN    HIS   22 - HA    VAL   75   5.91 +/- 0.82   0.370% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HA    VAL   75  17.09 +/- 0.92   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 = 84.4:
      O   HN    VAL   75 - HA    VAL   75   2.93 +/- 0.01  99.466% * 99.8946% (0.90  10.0   5.27  84.43) =  99.999%  kept
          HN    ASP-  78 - HA    VAL   75   7.01 +/- 0.15   0.534% *  0.1054% (0.95   1.0   0.02   0.02) =   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 = 18.1:
          HA    PHE   45 - HB    VAL   75   2.98 +/- 0.72  99.935% * 89.9031% (0.45   0.75  18.09) =  99.996%  kept
          HA    VAL   41 - HB    VAL   75  11.66 +/- 0.58   0.062% *  5.1606% (0.97   0.02   0.02) =   0.004%
          HA    HIS  122 - HB    VAL   75  19.82 +/- 1.33   0.003% *  4.9363% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.13, residual support = 18.1:
          QD    PHE   45 - HB    VAL   75   3.32 +/- 0.75  99.984% * 98.5751% (0.87   2.13  18.09) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  16.47 +/- 1.19   0.013% *  0.7338% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  21.81 +/- 2.08   0.003% *  0.6911% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.456, support = 0.02, residual support = 2.31:
          HZ2   TRP   27 - HB    VAL   75   6.73 +/- 1.33  98.184% *  2.4118% (0.20  1.00   0.02   4.02) =  57.197%  kept
        T HZ    PHE   72 - HB    VAL   75  14.48 +/- 1.09   1.816% * 97.5882% (0.80 10.00   0.02   0.02) =  42.803%  kept
    Distance limit 4.01 A violated in 18 structures by 2.69 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.51, residual support = 84.4:
      O   HN    VAL   75 - HB    VAL   75   2.62 +/- 0.36  99.784% * 99.9348% (0.99  10.0   4.51  84.43) = 100.000%  kept
          HN    ASP-  78 - HB    VAL   75   7.88 +/- 0.28   0.216% *  0.0652% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 18.1:
        T QE    PHE   45 - QG1   VAL   75   2.90 +/- 0.38  99.923% * 99.5846% (0.34 10.00   2.31  18.09) = 100.000%  kept
          QD    PHE   72 - QG1   VAL   75  10.04 +/- 0.50   0.067% *  0.1536% (0.53  1.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - QG1   VAL   75  13.84 +/- 0.82   0.010% *  0.2618% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.1, residual support = 18.1:
          QD    PHE   45 - QG1   VAL   75   2.62 +/- 0.50  99.994% * 99.5813% (1.00   3.10  18.09) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  15.24 +/- 1.20   0.005% *  0.2198% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  19.48 +/- 1.80   0.001% *  0.1989% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 1 structures by 0.05 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.899, support = 5.15, residual support = 81.2:
          HN    VAL   75 - QG1   VAL   75   3.52 +/- 0.24  91.246% * 70.8796% (0.90   5.27  84.43) =  96.208%  kept
          HN    ASP-  78 - QG1   VAL   75   5.24 +/- 0.15   8.754% * 29.1204% (0.95   2.05   0.02) =   3.792%  kept
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 27.2:
          HN    ASP-  76 - QG1   VAL   75   2.93 +/- 0.20  99.341% * 99.1034% (0.41   4.97  27.25) =  99.999%  kept
          HN    HIS   22 - QG1   VAL   75   7.10 +/- 0.75   0.640% *  0.1920% (0.20   0.02   0.02) =   0.001%
          HN    VAL  108 - QG1   VAL   75  12.67 +/- 1.09   0.019% *  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 = 0.75, residual support = 2.48:
          HB2   CYS   21 - QG2   VAL   75   3.79 +/- 1.08  99.038% * 98.7151% (0.76   0.75   2.48) =  99.994%  kept
          QE    LYS+  81 - QG2   VAL   75   9.77 +/- 1.21   0.917% *  0.6032% (0.18   0.02   0.02) =   0.006%
          QE    LYS+ 111 - QG2   VAL   75  16.56 +/- 0.83   0.045% *  0.6817% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 5 structures by 0.55 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.587, support = 0.883, residual support = 10.2:
          HZ3   TRP   27 - QG2   VAL   75   3.77 +/- 1.39  62.280% * 43.5699% (0.45   0.99   4.02) =  56.041%  kept
          HZ    PHE   45 - QG2   VAL   75   4.00 +/- 0.49  37.720% * 56.4301% (0.76   0.75  18.09) =  43.959%  kept
    Distance limit 3.29 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 1.94, residual support = 18.1:
          QE    PHE   45 - QG2   VAL   75   3.20 +/- 0.62  99.493% * 98.6840% (0.97   1.94  18.09) =  99.995%  kept
          QD    PHE   72 - QG2   VAL   75   8.52 +/- 0.47   0.455% *  1.0529% (1.00   0.02   0.02) =   0.005%
          HZ    PHE   72 - QG2   VAL   75  12.23 +/- 0.67   0.052% *  0.2631% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.79, support = 1.28, residual support = 3.96:
          HE3   TRP   27 - QG2   VAL   75   3.39 +/- 1.22  80.773% * 80.9615% (0.80   1.28   4.02) =  98.382%  kept
          HD2   HIS   22 - QG2   VAL   75   6.04 +/- 1.34   6.770% * 13.1066% (0.20   0.84   0.02) =   1.335%  kept
          HN    THR   23 - QG2   VAL   75   5.39 +/- 1.19  10.204% *  1.5192% (0.97   0.02   0.02) =   0.233%
          QE    PHE   95 - QG2   VAL   75   8.23 +/- 0.91   2.012% *  1.5430% (0.98   0.02   0.02) =   0.047%
          QD    PHE   55 - QG2   VAL   75  14.36 +/- 1.46   0.064% *  1.3655% (0.87   0.02   0.02) =   0.001%
          HD1   TRP   49 - QG2   VAL   75  12.27 +/- 0.95   0.139% *  0.4859% (0.31   0.02   0.02) =   0.001%
          HN    LEU   67 - QG2   VAL   75  14.15 +/- 0.50   0.037% *  1.0183% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 4 structures by 0.36 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.12, residual support = 84.4:
          HN    VAL   75 - QG2   VAL   75   3.06 +/- 0.53  99.240% * 99.5897% (0.90   5.12  84.43) =  99.997%  kept
          HN    ASP-  78 - QG2   VAL   75   7.33 +/- 0.41   0.760% *  0.4103% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   6.54 +/- 0.66  98.316% * 48.3894% (0.61   0.02   0.02) =  98.206%  kept
          HN    VAL  108 - QG2   VAL   75  13.05 +/- 1.07   1.684% * 51.6106% (0.65   0.02   0.02) =   1.794%  kept
    Distance limit 3.91 A violated in 20 structures by 2.62 A, eliminated.
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.75, residual support = 36.1:
      O   HN    ASP-  76 - HB3   ASP-  76   3.00 +/- 0.46  99.998% * 99.4520% (0.15  10.0   3.75  36.10) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  19.62 +/- 1.39   0.002% *  0.5480% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 36.1:
      O   HN    ASP-  76 - HB2   ASP-  76   2.46 +/- 0.38  99.626% * 99.6604% (0.41  10.0   3.70  36.10) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   6.65 +/- 1.34   0.361% *  0.0480% (0.20   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  19.58 +/- 1.33   0.001% *  0.1760% (0.73   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  16.38 +/- 1.70   0.002% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  12.73 +/- 1.56   0.009% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.04 +/- 1.54   0.002% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.06 +/- 0.64   0.000% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.12 +/- 1.07   0.000% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  22.10 +/- 0.82   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 = 0.597, residual support = 0.597:
          HN    LEU   80 - HA    THR   77   4.07 +/- 0.85  99.378% * 87.9773% (0.38   0.60   0.60) =  99.966%  kept
          HN    CYS   53 - HA    THR   77  12.21 +/- 1.28   0.376% *  4.7615% (0.61   0.02   0.02) =   0.020%
          HN    THR   26 - HA    THR   77  12.88 +/- 0.65   0.230% *  5.0785% (0.65   0.02   0.02) =   0.013%
          HN    ALA   34 - HA    THR   77  19.85 +/- 0.81   0.016% *  2.1827% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 4 structures by 0.55 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.61, residual support = 28.3:
      O   HN    ASP-  78 - HA    THR   77   3.49 +/- 0.04  98.679% * 99.8470% (0.65  10.0   4.61  28.32) =  99.998%  kept
          HN    VAL   75 - HA    THR   77   7.21 +/- 0.25   1.321% *  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 = 4.03, residual support = 37.8:
      O   HN    THR   77 - HA    THR   77   2.77 +/- 0.03 100.000% *100.0000% (0.53  10.0   4.03  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 = 2.66, residual support = 9.36:
        T QD    PHE   45 - QG2   THR   77   3.06 +/- 0.59 100.000% *100.0000% (0.80 10.00   2.66   9.36) = 100.000%  kept
    Distance limit 3.13 A violated in 2 structures by 0.18 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 3.59, residual support = 12.0:
          HN    THR   46 - QG2   THR   77   2.79 +/- 0.30  69.251% * 98.1630% (0.87   3.60  12.02) =  99.805%  kept
          HN    MET   92 - QG2   THR   77   4.79 +/- 2.45  30.672% *  0.4322% (0.69   0.02   0.02) =   0.195%
          HN    LYS+  74 - QG2   THR   77   9.05 +/- 0.38   0.074% *  0.6168% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   77  14.73 +/- 1.08   0.004% *  0.3311% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  29.13 +/- 2.66   0.000% *  0.4569% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.03, residual support = 37.8:
          HN    THR   77 - QG2   THR   77   2.04 +/- 0.16 100.000% *100.0000% (0.87   4.03  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   3.70 +/- 0.38  99.785% * 98.6222% (0.61   1.50   8.19) =  99.997%  kept
          HA    LEU   71 - HB2   LYS+  74  10.78 +/- 0.92   0.215% *  1.3778% (0.64   0.02   0.02) =   0.003%
    Distance limit 3.68 A violated in 0 structures by 0.16 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   2.77 +/- 0.54  99.960% * 99.2963% (0.76   2.96   8.19) = 100.000%  kept
          HA    LEU   71 - HB3   LYS+  74  11.11 +/- 0.44   0.040% *  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 = 187.4:
      O   HA    LYS+  74 - HB3   LYS+  74   2.96 +/- 0.09  99.980% * 99.8966% (0.80  10.0   6.20 187.42) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  13.31 +/- 0.66   0.013% *  0.0757% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  14.77 +/- 1.07   0.007% *  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 = 132.2:
      O T HA    PRO   93 - HB2   PRO   93   2.47 +/- 0.21  99.999% * 99.9221% (0.49  10.0 10.00   5.98 132.20) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  18.82 +/- 1.29   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 = 0.479, support = 1.56, residual support = 1.34:
          HB3   MET   92 - HB3   PRO   93   5.34 +/- 0.21  12.670% * 75.1145% (0.41  1.00   1.82   1.56) =  85.732%  kept
          QG1   ILE   56 - HB3   PRO   93   3.80 +/- 0.29  86.708% *  1.8019% (0.90  1.00   0.02   0.02) =  14.074%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  11.38 +/- 1.32   0.213% *  6.2013% (0.31 10.00   0.02   0.02) =   0.119%
        T HB2   LEU   73 - HB3   PRO   93  14.34 +/- 1.00   0.035% * 11.3751% (0.57 10.00   0.02   0.02) =   0.036%
          QD    LYS+ 106 - HB3   PRO   93  10.87 +/- 0.92   0.177% *  1.5355% (0.76  1.00   0.02   0.02) =   0.024%
          HB    ILE   89 - HB3   PRO   93  10.79 +/- 1.02   0.188% *  0.7541% (0.38  1.00   0.02   0.02) =   0.013%
          QD    LYS+  99 - HB3   PRO   93  19.55 +/- 0.67   0.005% *  1.6088% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PRO   93  20.32 +/- 0.73   0.004% *  1.6088% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 1 structures by 0.37 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.99, residual support = 132.2:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.926% * 99.4465% (0.80  10.0   5.99 132.20) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   7.47 +/- 2.23   0.050% *  0.0853% (0.69   1.0   0.02   0.70) =   0.000%
          HB    VAL  108 - HB3   PRO   93   8.45 +/- 1.58   0.015% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93   9.34 +/- 0.74   0.005% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93   9.97 +/- 0.67   0.003% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.76 +/- 1.03   0.001% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  18.65 +/- 0.95   0.000% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  25.92 +/- 2.27   0.000% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.69 +/- 0.77   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  34.90 +/- 2.67   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 = 5.11, residual support = 132.2:
      O   HA    PRO   93 - HB3   PRO   93   2.56 +/- 0.21 100.000% *100.0000% (0.92  10.0   5.11 132.20) = 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   7.29 +/- 0.60 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.00 A violated in 20 structures by 3.28 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 2.13, residual support = 14.9:
          QD1   ILE   19 - HG2   GLN   30   4.40 +/- 0.89  92.678% * 96.3080% (0.95   2.13  14.95) =  99.947%  kept
          QG1   VAL   43 - HG2   GLN   30   8.18 +/- 0.55   3.889% *  0.6552% (0.69   0.02   0.02) =   0.029%
          QG1   VAL   41 - HG2   GLN   30   9.08 +/- 0.82   1.976% *  0.4643% (0.49   0.02   0.02) =   0.010%
          QG2   VAL   18 - HG2   GLN   30  10.07 +/- 0.65   1.037% *  0.8554% (0.90   0.02   0.02) =   0.010%
          QG2   THR   46 - HG2   GLN   30  12.43 +/- 0.95   0.369% *  0.9205% (0.97   0.02   0.02) =   0.004%
          QD2   LEU  104 - HG2   GLN   30  16.39 +/- 1.30   0.051% *  0.7967% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 8 structures by 0.78 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 5.01:
        T QG2   THR   26 - HG2   GLN   30   2.72 +/- 0.51  99.913% * 87.3618% (0.61 10.00   0.75   5.01) =  99.999%  kept
        T HD3   LYS+  74 - HG2   GLN   30  13.03 +/- 0.63   0.013% *  2.1746% (0.57 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   GLN   30  10.09 +/- 0.59   0.065% *  0.1310% (0.34  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  19.44 +/- 1.27   0.002% *  3.8324% (1.00 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  22.37 +/- 1.42   0.001% *  2.7891% (0.73 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  23.59 +/- 1.95   0.000% *  2.9354% (0.76 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  17.30 +/- 1.64   0.004% *  0.2638% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  18.50 +/- 1.20   0.002% *  0.2789% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  26.84 +/- 1.75   0.000% *  0.2330% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 6.99, residual support = 231.9:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.63 +/- 0.25  99.990% * 99.8036% (0.95  10.0 10.00   6.99 231.94) = 100.000%  kept
          QG1   VAL   42 - HB3   LYS+ 112  14.61 +/- 1.67   0.005% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   LYS+ 112  14.64 +/- 1.35   0.005% *  0.0946% (0.90   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 = 6.24, residual support = 231.9:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.66 +/- 0.28  99.995% * 99.8561% (0.73  10.0 10.00   6.24 231.94) = 100.000%  kept
          HB2   HIS  122 - HB3   LYS+ 112  16.98 +/- 1.33   0.002% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   LYS+ 112  15.77 +/- 1.08   0.003% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  27.64 +/- 1.86   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 = 5.68, residual support = 231.9:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.87 +/- 0.67  99.984% * 99.7523% (0.97  10.0   5.68 231.94) = 100.000%  kept
          HN    MET   92 - HB3   LYS+ 112  15.74 +/- 1.91   0.011% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  17.70 +/- 1.23   0.004% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  21.68 +/- 1.75   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  41.05 +/- 2.73   0.000% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.72, residual support = 231.9:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.72 +/- 0.57  99.796% * 99.6310% (0.84  10.0   5.72 231.94) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.55 +/- 0.63   0.199% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  19.44 +/- 1.65   0.001% *  0.0840% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  17.80 +/- 0.45   0.002% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  21.91 +/- 1.63   0.001% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  22.38 +/- 1.69   0.001% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  25.28 +/- 2.77   0.000% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  41.34 +/- 2.54   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 = 2.25, residual support = 5.46:
          HA    PHE   72 - HB    VAL   42   2.80 +/- 0.68  99.664% * 99.0377% (0.85   2.25   5.46) =  99.999%  kept
          HA    MET   96 - HB    VAL   42   8.26 +/- 0.43   0.330% *  0.1999% (0.19   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   LYS+ 112  20.14 +/- 1.95   0.002% *  0.6212% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  16.90 +/- 1.68   0.004% *  0.1411% (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 = 5.75, residual support = 87.4:
      O   HN    VAL   42 - HB    VAL   42   2.47 +/- 0.12  93.943% * 85.2072% (0.80  10.0   5.77  88.32) =  98.938%  kept
          HN    LEU   73 - HB    VAL   42   4.20 +/- 0.64   5.912% * 14.5269% (0.80   1.0   3.41   1.54) =   1.062%  kept
          HN    ILE   19 - HB    VAL   42   7.49 +/- 0.64   0.132% *  0.0257% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  11.71 +/- 0.63   0.009% *  0.0597% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.99 +/- 1.54   0.002% *  0.0421% (0.40   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  20.18 +/- 1.76   0.000% *  0.0601% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  21.57 +/- 1.98   0.000% *  0.0601% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  22.61 +/- 1.85   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 = 0.577, support = 1.84, residual support = 5.13:
          QD    PHE   60 - HB    VAL   42   6.81 +/- 0.93  30.479% * 88.2238% (0.66   2.00   5.68) =  84.172%  kept
          QD    PHE   55 - HB2   LYS+ 112   5.86 +/- 1.90  63.466% *  7.9349% (0.12   0.98   2.18) =  15.764%  kept
          HE3   TRP   27 - HB    VAL   42  10.23 +/- 1.27   2.693% *  0.2879% (0.22   0.02   0.02) =   0.024%
          HN    LYS+  66 - HB    VAL   42  10.11 +/- 0.44   2.402% *  0.3210% (0.24   0.02   0.02) =   0.024%
          QD    PHE   60 - HB2   LYS+ 112  13.08 +/- 1.74   0.649% *  0.6226% (0.47   0.02   0.02) =   0.013%
          HN    LYS+  81 - HB    VAL   42  20.04 +/- 1.35   0.041% *  1.1442% (0.86   0.02   0.02) =   0.001%
          QD    PHE   55 - HB    VAL   42  17.33 +/- 1.46   0.144% *  0.2285% (0.17   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB2   LYS+ 112  17.18 +/- 2.09   0.108% *  0.2265% (0.17   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   LYS+ 112  26.86 +/- 2.11   0.007% *  0.8075% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LYS+ 112  24.77 +/- 1.87   0.011% *  0.2031% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 13 structures by 1.27 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.462, support = 0.944, residual support = 5.46:
        T QD    PHE   72 - HB    VAL   42   3.77 +/- 0.55  91.688% * 81.0773% (0.46 10.00   0.94   5.46) =  98.254%  kept
          HZ    PHE   72 - HB    VAL   42   6.00 +/- 0.64   7.625% * 17.3074% (0.78  1.00   1.18   5.46) =   1.744%  kept
          QE    PHE   45 - HB    VAL   42   9.04 +/- 0.38   0.644% *  0.1118% (0.30  1.00   0.02   0.02) =   0.001%
        T QD    PHE   72 - HB2   LYS+ 112  16.89 +/- 1.79   0.018% *  1.2171% (0.32 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB2   LYS+ 112  18.40 +/- 2.57   0.013% *  0.2075% (0.55  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  17.85 +/- 1.56   0.012% *  0.0789% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 1 structures by 0.14 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 +/- 0.20  99.972% * 99.2681% (0.14  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA1   GLY  101  10.21 +/- 1.22   0.028% *  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   2.85 +/- 0.20  99.948% * 99.7871% (0.38  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA2   GLY  101  10.29 +/- 0.62   0.052% *  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 = 1.71, residual support = 5.17:
      O   HN    SER   13 - HA    ALA   12   2.57 +/- 0.12  99.998% * 99.9813% (0.84  10.0   1.71   5.17) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  16.50 +/- 1.36   0.002% *  0.0187% (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 = 12.3:
      O   HN    ALA   12 - HA    ALA   12   2.82 +/- 0.07  99.999% * 99.8617% (0.85  10.0   2.38  12.28) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  20.11 +/- 3.15   0.001% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  28.69 +/- 2.54   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  34.85 +/- 2.07   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 = 2.3, residual support = 12.3:
      O   HN    ALA   12 - QB    ALA   12   2.76 +/- 0.23  99.994% * 99.7294% (0.46  10.0   2.30  12.28) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  16.45 +/- 2.55   0.004% *  0.1891% (0.87   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  21.46 +/- 2.56   0.001% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  22.22 +/- 2.23   0.001% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.49, residual support = 12.2:
      O   HN    ALA   12 - HA    MET   11   2.54 +/- 0.13  99.898% * 99.5700% (0.65  10.0   3.49  12.23) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.21 +/- 0.60   0.100% *  0.0391% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  21.58 +/- 3.85   0.001% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  17.44 +/- 1.37   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  23.40 +/- 1.39   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  31.30 +/- 2.88   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  28.73 +/- 1.61   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  37.86 +/- 2.04   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 = 3.56, residual support = 12.2:
          HN    ALA   12 - HG3   MET   11   3.98 +/- 0.20  97.499% * 98.7229% (0.97   3.56  12.23) =  99.995%  kept
          HN    ALA   12 - HB3   GLU-  14   8.23 +/- 1.21   2.460% *  0.1968% (0.34   0.02   0.02) =   0.005%
          HN    ASN   35 - HG3   MET   11  22.04 +/- 4.19   0.010% *  0.3251% (0.57   0.02   0.02) =   0.000%
          HN    ASN   35 - HB3   GLU-  14  16.16 +/- 1.39   0.026% *  0.1154% (0.20   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  22.97 +/- 1.44   0.003% *  0.0838% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  31.70 +/- 3.29   0.001% *  0.2361% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  29.01 +/- 1.58   0.001% *  0.0838% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  38.21 +/- 2.09   0.000% *  0.2361% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.11, residual support = 6.68:
      O   HN    GLU-  14 - HA    SER   13   2.48 +/- 0.16  99.975% * 99.1146% (0.92  10.0   2.11   6.68) = 100.000%  kept
          HN    GLU-  14 - HA    SER   37  13.91 +/- 2.17   0.005% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  13.23 +/- 0.42   0.005% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  13.44 +/- 0.44   0.004% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  13.89 +/- 0.58   0.004% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  17.81 +/- 2.12   0.001% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  17.66 +/- 2.71   0.001% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  17.96 +/- 0.68   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.09 +/- 0.51   0.002% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  18.24 +/- 1.22   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  22.63 +/- 2.39   0.000% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  19.83 +/- 2.18   0.001% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.73 +/- 0.66   0.000% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  19.00 +/- 0.59   0.001% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  24.07 +/- 1.87   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  24.97 +/- 1.69   0.000% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  28.79 +/- 3.52   0.000% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  33.16 +/- 2.99   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 = 0.567, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  13.97 +/- 1.16  11.692% * 21.8157% (0.99   0.02   0.02) =  24.991%  kept
          HN    LEU   73 - HA    THR   46  11.57 +/- 0.45  32.804% *  7.5418% (0.34   0.02   0.02) =  24.240%  kept
          HN    ILE   19 - HA    THR   46  13.61 +/- 0.84  12.653% * 13.2032% (0.60   0.02   0.02) =  16.368%  kept
          HN    VAL   42 - HA    SER   37  12.69 +/- 0.40  19.008% *  6.6588% (0.30   0.02   0.02) =  12.402%  kept
          HN    ILE   19 - HA    SER   37  15.65 +/- 0.88   5.735% * 11.6574% (0.53   0.02   0.02) =   6.550%  kept
          HN    VAL   42 - HA    THR   46  14.81 +/- 0.23   7.411% *  7.5418% (0.34   0.02   0.02) =   5.476%  kept
          HN    LEU   73 - HA    SER   13  17.52 +/- 1.34   2.923% * 12.4613% (0.57   0.02   0.02) =   3.569%  kept
          HN    LEU   73 - HA    SER   37  15.67 +/- 0.60   5.431% *  6.6588% (0.30   0.02   0.02) =   3.544%  kept
          HN    VAL   42 - HA    SER   13  18.26 +/- 1.48   2.342% * 12.4613% (0.57   0.02   0.02) =   2.859%  kept
    Distance limit 3.31 A violated in 20 structures by 6.27 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 = 26.5:
      O   HN    SER   37 - HB3   SER   37   2.51 +/- 0.29  99.985% * 99.5355% (0.83  10.0   3.42  26.47) = 100.000%  kept
          HN    SER   37 - QB    SER   13  14.79 +/- 2.89   0.010% *  0.0762% (0.63   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  16.14 +/- 0.62   0.002% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  16.49 +/- 1.69   0.002% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  22.47 +/- 1.55   0.000% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  24.81 +/- 1.19   0.000% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  27.39 +/- 2.52   0.000% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  30.58 +/- 2.57   0.000% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.654, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  21.86 +/- 1.39  54.147% * 22.8936% (0.69   0.02   0.02) =  67.607%  kept
          HA    LEU  104 - HB3   GLU-  14  26.18 +/- 1.30  18.715% * 12.5086% (0.38   0.02   0.02) =  12.768%  kept
          HA    TRP   87 - HB3   GLU-  14  31.33 +/- 3.20   7.001% * 33.2545% (1.00   0.02   0.02) =  12.698%  kept
          HA    PHE   59 - HG3   MET   11  31.10 +/- 1.77   6.753% *  8.1279% (0.24   0.02   0.02) =   2.993%  kept
          HA    ASP- 113 - HB3   GLU-  14  31.89 +/- 1.56   5.723% *  5.1424% (0.15   0.02   0.02) =   1.605%  kept
          HA    LEU  104 - HG3   MET   11  33.69 +/- 3.31   4.657% *  4.4409% (0.13   0.02   0.02) =   1.128%  kept
          HA    TRP   87 - HG3   MET   11  40.44 +/- 4.86   1.658% * 11.8063% (0.35   0.02   0.02) =   1.068%  kept
          HA    ASP- 113 - HG3   MET   11  40.73 +/- 2.00   1.345% *  1.8257% (0.05   0.02   0.02) =   0.134%
    Distance limit 3.51 A violated in 20 structures by 16.23 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.86, residual support = 48.6:
      O   HN    GLU-  14 - HB3   GLU-  14   3.33 +/- 0.25  99.780% * 99.5831% (0.92  10.0   3.86  48.56) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.87 +/- 0.90   0.195% *  0.0354% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  14.91 +/- 1.30   0.016% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  20.68 +/- 2.28   0.002% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  22.15 +/- 1.23   0.001% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  22.50 +/- 4.25   0.005% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  28.75 +/- 3.09   0.000% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  29.35 +/- 3.48   0.000% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  29.68 +/- 2.73   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  38.55 +/- 4.76   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 = 3.85, residual support = 48.6:
      O   HN    GLU-  14 - HB2   GLU-  14   3.21 +/- 0.43  99.769% * 99.3938% (0.49  10.0   3.85  48.56) = 100.000%  kept
          HN    GLU-  14 - HG2   MET   11   9.48 +/- 0.91   0.211% *  0.0372% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   GLU-  14  16.59 +/- 1.48   0.009% *  0.0839% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  21.15 +/- 2.56   0.003% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  22.66 +/- 1.60   0.001% *  0.1483% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  21.71 +/- 4.30   0.004% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  21.92 +/- 2.64   0.002% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.92 +/- 3.62   0.000% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  28.24 +/- 3.18   0.000% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.56 +/- 1.09   0.000% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  29.03 +/- 1.95   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  30.60 +/- 1.82   0.000% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.07, residual support = 6.02:
      O   HN    GLY   16 - HA    GLU-  15   2.64 +/- 0.16  99.985% * 99.5949% (0.97  10.0   2.07   6.02) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  12.78 +/- 1.55   0.011% *  0.0805% (0.78   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  18.66 +/- 1.41   0.001% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  15.91 +/- 1.31   0.002% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  24.81 +/- 1.26   0.000% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  24.62 +/- 2.46   0.000% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  25.76 +/- 1.69   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  25.23 +/- 3.00   0.000% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  25.73 +/- 1.50   0.000% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.01, residual support = 105.8:
      O   HN    ASN   28 - HA    ASN   28   2.75 +/- 0.03  99.999% * 99.8927% (0.84  10.0   6.01 105.79) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.29 +/- 0.85   0.001% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 17.9:
        T HB2   LEU   31 - HA    ASN   28   3.27 +/- 0.27  98.711% * 93.5437% (0.38 10.00   2.56  17.86) =  99.998%  kept
        T QB    ALA   84 - HA    ASN   28  13.26 +/- 1.92   0.030% *  2.4869% (1.00 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    ASN   28   8.34 +/- 0.81   0.460% *  0.0935% (0.38  1.00   0.02   1.12) =   0.000%
          HG    LEU   98 - HA    ASN   28  10.88 +/- 1.75   0.149% *  0.2405% (0.97  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    ASN   28   8.91 +/- 1.49   0.430% *  0.0621% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASN   28  11.24 +/- 3.15   0.129% *  0.1311% (0.53  1.00   0.02   1.79) =   0.000%
          HB    VAL   42 - HA    ASN   28  11.94 +/- 0.67   0.047% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  14.05 +/- 0.90   0.018% *  0.1905% (0.76  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  23.30 +/- 2.36   0.001% *  2.2353% (0.90 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  16.84 +/- 1.54   0.007% *  0.1512% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  15.89 +/- 2.30   0.011% *  0.1025% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  19.55 +/- 0.85   0.002% *  0.2492% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  18.82 +/- 0.90   0.003% *  0.1612% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  22.53 +/- 1.06   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  28.59 +/- 1.88   0.000% *  0.1213% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  26.85 +/- 1.99   0.000% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 3.0, residual support = 17.9:
          HG    LEU   31 - HA    ASN   28   3.44 +/- 0.96  96.632% * 97.1720% (0.61   3.00  17.86) =  99.971%  kept
          QD2   LEU   73 - HA    ASN   28   7.21 +/- 0.56   3.351% *  0.8162% (0.76   0.02   1.12) =   0.029%
          QD1   ILE   56 - HA    ASN   28  18.58 +/- 1.08   0.010% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  22.64 +/- 1.29   0.003% *  0.8162% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  22.85 +/- 2.59   0.004% *  0.1648% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.6, residual support = 5.2:
      O   HN    GLY   16 - HA2   GLY   16   2.90 +/- 0.02  99.999% * 99.8461% (0.97  10.0   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  22.79 +/- 1.57   0.000% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  28.15 +/- 1.40   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 +/- 0.03  99.548% * 99.5709% (0.65  10.0   3.26  16.50) = 100.000%  kept
          HD21  ASN   69 - HA2   GLY   16  10.33 +/- 2.13   0.411% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA2   GLY   16  13.19 +/- 0.91   0.036% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  19.16 +/- 0.70   0.004% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  28.34 +/- 3.58   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  28.99 +/- 2.53   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  28.37 +/- 1.41   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA1   GLY   16   3.22 +/- 0.04  99.322% * 99.5709% (0.65  10.0   3.26  16.50) = 100.000%  kept
          HD21  ASN   69 - HA1   GLY   16   9.06 +/- 1.88   0.639% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA1   GLY   16  12.32 +/- 0.89   0.035% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  18.35 +/- 0.89   0.003% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  26.96 +/- 3.69   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  27.76 +/- 2.65   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  27.27 +/- 1.50   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   2.29 +/- 0.02 100.000% * 99.6694% (0.57  10.0   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  21.43 +/- 1.48   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  27.30 +/- 1.53   0.000% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  21.87 +/- 1.67   0.000% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  28.37 +/- 1.92   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 = 84.3:
      O T HB3   GLN   17 - QG    GLN   17   2.35 +/- 0.13  98.992% * 99.0943% (0.58  10.0 10.00   4.31  84.34) =  99.999%  kept
          QB    LYS+  65 - QG    GLN   17   7.30 +/- 1.72   0.312% *  0.1251% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB    VAL   70   6.42 +/- 0.24   0.262% *  0.0260% (0.15   1.0  1.00   0.02  32.68) =   0.000%
          QB    LYS+  66 - HB    VAL   70   6.64 +/- 1.01   0.275% *  0.0109% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    GLN   17  10.88 +/- 1.24   0.016% *  0.1271% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  11.53 +/- 1.02   0.008% *  0.2030% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17   9.93 +/- 1.20   0.024% *  0.0533% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   9.18 +/- 0.87   0.031% *  0.0256% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   9.43 +/- 0.64   0.030% *  0.0066% (0.04   1.0  1.00   0.02   2.71) =   0.000%
          HB2   LYS+  99 - HB    VAL   70   9.40 +/- 1.26   0.039% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  13.66 +/- 1.26   0.003% *  0.0238% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  15.40 +/- 1.44   0.002% *  0.0323% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  19.48 +/- 1.23   0.000% *  0.0891% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  20.42 +/- 1.40   0.000% *  0.1163% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  13.68 +/- 1.07   0.003% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  18.17 +/- 1.32   0.001% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  18.89 +/- 0.76   0.000% *  0.0182% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  20.30 +/- 0.98   0.000% *  0.0200% (0.12   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 = 0.488, support = 5.48, residual support = 83.4:
          HN    GLN   17 - QG    GLN   17   3.11 +/- 0.54  86.660% * 88.7298% (0.49   5.50  84.34) =  98.421%  kept
          HD21  ASN   69 - HB    VAL   70   5.16 +/- 1.17  12.877% *  9.5757% (0.07   4.18  26.26) =   1.578%  kept
          HN    ALA   61 - QG    GLN   17  10.37 +/- 1.06   0.105% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HN    GLN   17 - HB    VAL   70   9.09 +/- 1.06   0.241% *  0.0660% (0.10   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  12.30 +/- 1.64   0.046% *  0.2235% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  11.74 +/- 1.18   0.054% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  15.20 +/- 1.34   0.009% *  0.0769% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  24.03 +/- 2.80   0.001% *  0.3991% (0.61   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  23.07 +/- 1.33   0.001% *  0.2049% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  24.01 +/- 2.05   0.001% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  21.99 +/- 3.76   0.001% *  0.0818% (0.13   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  17.42 +/- 0.95   0.004% *  0.0158% (0.02   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  23.79 +/- 2.61   0.001% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  24.15 +/- 1.16   0.001% *  0.0420% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 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   3.58 +/- 0.37  99.428% * 99.7451% (0.76   5.81  50.10) = 100.000%  kept
          HN    SER   13 - QG    GLN   17  10.10 +/- 1.04   0.294% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    VAL   18 - HB    VAL   70  10.42 +/- 1.01   0.250% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  16.68 +/- 1.37   0.011% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  17.76 +/- 1.57   0.010% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  17.81 +/- 0.73   0.008% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.17, residual support = 84.3:
      O   HN    GLN   17 - HB3   GLN   17   3.04 +/- 0.41  99.896% * 99.5709% (0.65  10.0   5.17  84.34) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  11.59 +/- 1.37   0.078% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  13.84 +/- 1.44   0.019% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.13 +/- 0.78   0.006% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  26.35 +/- 2.85   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  26.31 +/- 1.94   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  25.39 +/- 1.24   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 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   3.49 +/- 0.61  99.823% * 99.8372% (1.00   5.47  50.10) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17  11.14 +/- 1.27   0.169% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  17.78 +/- 0.93   0.008% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 84.3:
      O T HB3   GLN   17 - HA    GLN   17   2.80 +/- 0.25  98.933% * 99.4149% (0.76  10.0 10.00   4.00  84.34) =  99.999%  kept
          QB    LYS+  65 - HA    GLN   17   6.68 +/- 1.17   0.919% *  0.1255% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    GLN   17   9.21 +/- 0.97   0.100% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    GLN   17  10.78 +/- 1.19   0.040% *  0.1275% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  15.67 +/- 1.09   0.004% *  0.0324% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  19.86 +/- 1.33   0.001% *  0.0894% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  21.30 +/- 1.52   0.001% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  18.53 +/- 1.61   0.002% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.87 +/- 1.00   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 0.02 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.0, residual support = 84.3:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.589% * 94.0226% (0.18  10.0 10.00   4.00  84.34) =  99.999%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.27 +/- 0.45   0.053% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB3   PRO   68   6.16 +/- 1.44   0.294% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB3   PRO   68  11.64 +/- 3.07   0.006% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   PRO   68   7.87 +/- 1.46   0.026% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   8.98 +/- 1.50   0.012% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   8.68 +/- 1.19   0.010% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15  10.21 +/- 0.89   0.003% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  11.84 +/- 0.81   0.001% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  11.60 +/- 1.27   0.002% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  10.88 +/- 1.10   0.002% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  11.49 +/- 0.88   0.001% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  18.38 +/- 1.71   0.000% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  14.53 +/- 1.89   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  13.82 +/- 1.41   0.001% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.72 +/- 0.88   0.000% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  18.29 +/- 1.54   0.000% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  15.74 +/- 1.67   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  16.58 +/- 1.06   0.000% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  23.16 +/- 1.19   0.000% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  20.84 +/- 1.52   0.000% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  22.50 +/- 1.45   0.000% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  19.88 +/- 1.45   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  22.97 +/- 0.91   0.000% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  19.23 +/- 1.21   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  20.13 +/- 1.52   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  22.02 +/- 0.89   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   2.39 +/- 0.17  99.703% * 99.9155% (0.19  10.0   2.96  35.75) = 100.000%  kept
          HA    PRO   68 - QB    GLU-  15   7.32 +/- 1.58   0.248% *  0.0447% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   68 - HB2   GLN   17  10.66 +/- 2.68   0.049% *  0.0398% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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   2.73 +/- 0.57  98.641% * 97.9601% (0.24   5.47  50.10) =  99.996%  kept
          HN    VAL   18 - HB3   PRO   68  11.82 +/- 2.67   0.210% *  0.8982% (0.61   0.02   0.02) =   0.002%
          HN    VAL   18 - QB    GLU-  15   8.22 +/- 0.25   0.300% *  0.4018% (0.27   0.02   0.02) =   0.001%
          HN    SER   13 - QB    GLU-  15   6.90 +/- 0.75   0.755% *  0.0897% (0.06   0.02   0.02) =   0.001%
          HN    SER   13 - HB2   GLN   17  12.01 +/- 1.36   0.076% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  16.33 +/- 3.04   0.009% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  15.57 +/- 0.83   0.007% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  17.60 +/- 0.64   0.003% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  22.86 +/- 1.26   0.001% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.02 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   2.54 +/- 0.08  99.999% * 99.9233% (0.84  10.0   5.47  50.10) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  18.41 +/- 0.57   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  26.19 +/- 1.86   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 = 2.44:
        T QB    ALA   64 - HA    GLN   17   3.90 +/- 0.92  98.264% * 97.4197% (0.69 10.00   1.22   2.45) =  99.980%  kept
        T QG1   VAL   42 - HA    GLN   17   8.81 +/- 0.73   1.705% *  1.1284% (0.49 10.00   0.02   0.02) =   0.020%
        T QB    ALA   47 - HA    GLN   17  17.39 +/- 0.77   0.025% *  1.4060% (0.61 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    GLN   17  21.51 +/- 3.10   0.006% *  0.0459% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 10 structures by 0.95 A, kept.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 77.2:
      O   HN    VAL   18 - HB    VAL   18   2.47 +/- 0.41  99.998% * 99.9233% (0.84  10.0   4.99  77.16) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  16.52 +/- 0.70   0.002% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  22.16 +/- 1.61   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 6.77:
        T HB2   PHE   72 - HA    VAL   18   2.77 +/- 0.68  96.485% * 99.1293% (0.49 10.00   1.50   6.77) =  99.990%  kept
          HA    ALA   64 - HA    VAL   18   5.79 +/- 0.84   3.512% *  0.2662% (0.98  1.00   0.02   8.67) =   0.010%
        T HB3   ASN   35 - HA    VAL   18  17.67 +/- 0.73   0.003% *  0.6045% (0.22 10.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.9, residual support = 22.4:
      O   HN    ILE   19 - HA    VAL   18   2.24 +/- 0.04  99.269% * 99.7159% (0.73  10.0   4.90  22.44) =  99.999%  kept
          HN    LEU   73 - HA    VAL   18   5.28 +/- 0.54   0.696% *  0.1268% (0.92   1.0   0.02   0.02) =   0.001%
          HN    VAL   42 - HA    VAL   18   8.55 +/- 0.59   0.035% *  0.1268% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  18.02 +/- 0.72   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 = 0.547, support = 0.0199, residual support = 0.9:
          HG    LEU   73 - QG1   VAL   18   5.96 +/- 0.71  28.638% *  8.7275% (0.61   0.02   0.02) =  49.730%  kept
          QB    ALA   61 - QG1   VAL   18   5.03 +/- 1.35  59.763% *  2.2202% (0.15   0.02   3.35) =  26.400%  kept
          HG    LEU   67 - QG1   VAL   18   9.37 +/- 1.92   5.891% * 14.3572% (1.00   0.02   0.02) =  16.828%  kept
          HB3   LEU   67 - QG1   VAL   18   9.20 +/- 1.50   3.009% *  3.5880% (0.25   0.02   0.02) =   2.148%  kept
          HG    LEU   40 - QG1   VAL   18  11.04 +/- 0.84   0.587% * 14.2618% (0.99   0.02   0.02) =   1.667%  kept
          QG    LYS+  66 - QG1   VAL   18  10.07 +/- 1.25   0.999% *  5.9156% (0.41   0.02   0.02) =   1.176%  kept
          HB3   LEU  115 - QG1   VAL   18  12.80 +/- 1.11   0.250% * 14.2618% (0.99   0.02   0.02) =   0.711%  kept
          HB3   LEU   40 - QG1   VAL   18  11.11 +/- 1.35   0.521% *  6.4511% (0.45   0.02   0.02) =   0.669%  kept
          HG    LEU  115 - QG1   VAL   18  13.09 +/- 1.22   0.204% *  9.8840% (0.69   0.02   0.02) =   0.401%
          QB    ALA  120 - QG1   VAL   18  14.24 +/- 1.15   0.111% *  9.8840% (0.69   0.02   0.02) =   0.219%
          HG2   LYS+ 102 - QG1   VAL   18  18.80 +/- 0.98   0.025% * 10.4487% (0.73   0.02   0.02) =   0.051%
    Distance limit 2.86 A violated in 15 structures by 1.54 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 = 9.41:
        T QB    ALA   34 - QG1   VAL   41   2.13 +/- 0.27  99.786% * 97.8928% (0.49 10.00   2.96   9.41) = 100.000%  kept
        T QB    ALA   34 - QG2   VAL   18  10.13 +/- 0.70   0.012% *  0.7481% (0.37 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.45 +/- 0.88   0.073% *  0.0352% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   VAL   18   8.59 +/- 1.36   0.053% *  0.0474% (0.24  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  13.89 +/- 1.22   0.002% *  0.6207% (0.31 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18  10.19 +/- 0.88   0.012% *  0.0932% (0.46  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  11.56 +/- 0.61   0.006% *  0.1284% (0.64  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  13.34 +/- 0.68   0.002% *  0.1680% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  12.87 +/- 0.47   0.003% *  0.1220% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.26 +/- 0.94   0.037% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  16.12 +/- 1.94   0.001% *  0.0501% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  10.28 +/- 1.54   0.011% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  17.17 +/- 1.41   0.000% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  17.52 +/- 0.90   0.000% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  15.59 +/- 0.88   0.001% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.33 +/- 1.03   0.001% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  18.82 +/- 1.09   0.000% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  17.38 +/- 2.07   0.001% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.835, support = 3.97, residual support = 74.6:
      O T HB    VAL   41 - QG1   VAL   41   2.13 +/- 0.01  88.642% * 94.4693% (0.84  10.0 10.00   3.97  74.66) =  99.913%  kept
          HB3   GLN   17 - QG2   VAL   18   5.04 +/- 1.06   1.985% *  3.5619% (0.15   1.0  1.00   4.16  50.10) =   0.084%
          HB2   LEU   71 - QG1   VAL   41   4.68 +/- 0.86   1.390% *  0.0777% (0.69   1.0  1.00   0.02   4.34) =   0.001%
          QB    LYS+ 102 - QD2   LEU  104   3.92 +/- 0.96   6.776% *  0.0051% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG2   VAL   18   6.10 +/- 1.24   0.327% *  0.0628% (0.55   1.0  1.00   0.02   0.10) =   0.000%
          QB    LYS+ 102 - QG1   VAL   41   6.69 +/- 1.22   0.150% *  0.0945% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG1   VAL   41   6.13 +/- 0.53   0.182% *  0.0777% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   7.65 +/- 1.34   0.095% *  0.0507% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   7.95 +/- 0.71   0.038% *  0.0834% (0.74   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  11.75 +/- 0.97   0.004% *  0.7220% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.90 +/- 1.04   0.359% *  0.0042% (0.04   1.0  1.00   0.02  36.89) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   8.61 +/- 0.67   0.024% *  0.0594% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  12.24 +/- 0.49   0.003% *  0.1091% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  12.94 +/- 1.26   0.002% *  0.0847% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  14.20 +/- 0.39   0.001% *  0.0821% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  16.05 +/- 2.24   0.001% *  0.0465% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  14.31 +/- 1.58   0.001% *  0.0355% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  15.47 +/- 1.10   0.001% *  0.0594% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  17.16 +/- 0.44   0.000% *  0.1109% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  10.57 +/- 1.33   0.009% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  15.09 +/- 1.45   0.001% *  0.0355% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.79 +/- 0.98   0.000% *  0.0722% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.29 +/- 0.79   0.001% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  12.10 +/- 1.40   0.004% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  12.97 +/- 1.46   0.002% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.67 +/- 1.24   0.000% *  0.0465% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  15.42 +/- 1.29   0.001% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.32 +/- 0.85   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  20.98 +/- 1.65   0.000% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.97 +/- 1.27   0.000% *  0.0012% (0.01   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 = 2.03, residual support = 10.1:
          HB3   LEU   40 - QG1   VAL   41   5.19 +/- 0.21   5.090% * 83.5841% (0.46   3.80  19.67) =  50.761%  kept
          HG2   LYS+  65 - QG2   VAL   18   4.98 +/- 1.80  42.719% *  8.5792% (0.76   0.24   0.10) =  43.729%  kept
          HB2   LYS+  74 - QG2   VAL   18   4.53 +/- 1.58  48.295% *  0.9411% (0.99   0.02   0.99) =   5.423%  kept
          HB3   LEU   40 - QD2   LEU  104   7.16 +/- 1.47   2.311% *  0.0885% (0.09   0.02   0.02) =   0.024%
          QG2   THR   26 - QG2   VAL   18   8.71 +/- 0.59   0.247% *  0.7931% (0.84   0.02   0.02) =   0.023%
          QG2   THR   26 - QG1   VAL   41   9.57 +/- 0.58   0.140% *  0.6061% (0.64   0.02   0.02) =   0.010%
          QD    LYS+  66 - QG2   VAL   18   8.95 +/- 1.05   0.237% *  0.2931% (0.31   0.02   0.02) =   0.008%
          HD2   LYS+ 121 - QD2   LEU  104   8.53 +/- 1.87   0.575% *  0.1002% (0.11   0.02   0.02) =   0.007%
          HB3   LEU   40 - QG2   VAL   18  10.99 +/- 1.08   0.067% *  0.5759% (0.61   0.02   0.02) =   0.005%
          HB2   LYS+  74 - QG1   VAL   41  12.54 +/- 0.65   0.026% *  0.7193% (0.76   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QG1   VAL   41  13.15 +/- 1.82   0.029% *  0.4985% (0.52   0.02   0.02) =   0.002%
          HG    LEU  115 - QG2   VAL   18  12.48 +/- 1.19   0.030% *  0.3564% (0.38   0.02   0.02) =   0.001%
          QB    ALA  120 - QG2   VAL   18  13.41 +/- 0.88   0.018% *  0.3564% (0.38   0.02   0.02) =   0.001%
          QB    ALA  120 - QD2   LEU  104  10.12 +/- 1.13   0.114% *  0.0548% (0.06   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG2   VAL   18  15.46 +/- 1.59   0.009% *  0.6523% (0.69   0.02   0.02) =   0.001%
          QB    ALA  120 - QG1   VAL   41  13.75 +/- 1.21   0.017% *  0.2724% (0.29   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QG1   VAL   41  15.33 +/- 0.87   0.008% *  0.5546% (0.58   0.02   0.02) =   0.001%
          QD    LYS+  66 - QG1   VAL   41  14.19 +/- 0.67   0.013% *  0.2240% (0.24   0.02   0.02) =   0.000%
          HG    LEU  115 - QG1   VAL   41  16.70 +/- 1.91   0.005% *  0.2724% (0.29   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.81 +/- 1.66   0.024% *  0.0450% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.47 +/- 0.96   0.008% *  0.1219% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  17.29 +/- 1.04   0.004% *  0.1446% (0.15   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  15.16 +/- 1.85   0.009% *  0.0548% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.60 +/- 1.62   0.004% *  0.1115% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 0.986, residual support = 3.35:
        T HA    ALA   61 - QG2   VAL   18   3.52 +/- 1.02  97.491% * 97.7257% (0.87 10.00   0.99   3.35) =  99.996%  kept
          HD2   PRO   68 - QG2   VAL   18   9.58 +/- 0.96   0.741% *  0.2239% (0.98  1.00   0.02   0.02) =   0.002%
        T HA    ALA   61 - QG1   VAL   41  14.09 +/- 0.81   0.053% *  1.5144% (0.66 10.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - QG1   VAL   41  11.31 +/- 1.18   0.419% *  0.1711% (0.75  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QG1   VAL   41  11.42 +/- 1.07   0.327% *  0.0850% (0.37  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QG2   VAL   18  13.02 +/- 1.00   0.171% *  0.1112% (0.49  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG2   VAL   18   9.78 +/- 0.80   0.397% *  0.0452% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QD2   LEU  104  12.10 +/- 1.74   0.329% *  0.0344% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QD2   LEU  104  16.45 +/- 1.30   0.023% *  0.0305% (0.13  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   41  18.25 +/- 0.64   0.017% *  0.0346% (0.15  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD2   LEU  104  17.75 +/- 1.54   0.018% *  0.0171% (0.07  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QD2   LEU  104  18.70 +/- 1.14   0.015% *  0.0069% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 6 structures by 0.75 A, kept.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.18, residual support = 74.7:
      O T HA    VAL   41 - QG1   VAL   41   2.69 +/- 0.24  99.205% * 98.8372% (0.65  10.0 10.00   4.18  74.66) =  99.999%  kept
        T HA    VAL   41 - QG2   VAL   18  10.06 +/- 0.76   0.048% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG2   VAL   18   9.16 +/- 1.00   0.096% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.74 +/- 1.05   0.105% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  11.37 +/- 1.86   0.084% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG1   VAL   41  12.58 +/- 0.28   0.011% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104   7.98 +/- 1.49   0.441% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  13.57 +/- 0.94   0.007% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  16.09 +/- 0.81   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 = 3.08:
          QD    PHE   60 - QG1   VAL   18   4.02 +/- 0.85  97.143% * 95.5540% (1.00   0.75   3.08) =  99.964%  kept
          HN    LYS+  66 - QG1   VAL   18   8.71 +/- 1.13   1.264% *  1.7503% (0.69   0.02   0.02) =   0.024%
          QE    PHE   59 - QG1   VAL   18   8.69 +/- 1.19   1.473% *  0.5673% (0.22   0.02   0.02) =   0.009%
          HN    LYS+  81 - QG1   VAL   18  14.18 +/- 0.88   0.120% *  2.1284% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.02 A violated in 9 structures by 1.04 A, kept.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 77.2:
          HN    VAL   18 - QG1   VAL   18   3.54 +/- 0.17  99.959% * 99.8233% (0.92   5.49  77.16) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  14.24 +/- 1.32   0.041% *  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 = 0.309, support = 0.987, residual support = 0.986:
          HN    LYS+  74 - QG1   VAL   18   3.46 +/- 0.70  99.255% * 88.9052% (0.31   0.99   0.99) =  99.964%  kept
          HN    THR   46 - QG1   VAL   18   8.30 +/- 0.81   0.690% *  4.2380% (0.73   0.02   0.02) =   0.033%
          HN    MET   92 - QG1   VAL   18  13.97 +/- 1.43   0.043% *  5.2341% (0.90   0.02   0.02) =   0.003%
          HN    ASP- 113 - QG1   VAL   18  17.68 +/- 1.01   0.012% *  1.6227% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 2 structures by 0.22 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.9, residual support = 22.4:
          HN    ILE   19 - QG1   VAL   18   2.57 +/- 0.31  92.780% * 99.8070% (0.84   4.90  22.44) =  99.992%  kept
          HN    LEU   73 - QG1   VAL   18   4.25 +/- 0.69   7.074% *  0.0965% (0.20   0.02   0.02) =   0.007%
          HN    VAL   42 - QG1   VAL   18   7.85 +/- 0.83   0.146% *  0.0965% (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 = 0.802, support = 2.34, residual support = 3.07:
          QD    PHE   60 - QG2   VAL   18   3.96 +/- 0.74  90.409% * 88.9684% (0.80   2.35   3.08) =  99.441%  kept
          HN    LYS+  66 - QG2   VAL   18   6.98 +/- 0.94   6.061% *  7.2453% (0.98   0.16   0.02) =   0.543%  kept
          QE    PHE   59 - QG2   VAL   18   8.40 +/- 1.04   1.208% *  0.5349% (0.57   0.02   0.02) =   0.008%
          HN    PHE   59 - QG2   VAL   18   8.80 +/- 0.72   1.011% *  0.2104% (0.22   0.02   0.02) =   0.003%
          QD    PHE   60 - QG1   VAL   41  10.90 +/- 0.78   0.334% *  0.5782% (0.61   0.02   0.02) =   0.002%
          QE    PHE   59 - QG1   VAL   41  11.54 +/- 1.80   0.223% *  0.4088% (0.43   0.02   0.02) =   0.001%
          HN    LYS+  66 - QG1   VAL   41  13.61 +/- 0.36   0.079% *  0.7078% (0.75   0.02   0.02) =   0.001%
          QE    PHE   59 - QD2   LEU  104  11.03 +/- 1.95   0.381% *  0.0822% (0.09   0.02   0.02) =   0.000%
          QD    PHE   60 - QD2   LEU  104  13.08 +/- 1.22   0.131% *  0.1163% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG2   VAL   18  15.91 +/- 0.94   0.031% *  0.4236% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD2   LEU  104  14.57 +/- 1.48   0.065% *  0.1423% (0.15   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG1   VAL   41  18.07 +/- 1.53   0.017% *  0.3237% (0.34   0.02   0.02) =   0.000%
          HN    PHE   59 - QG1   VAL   41  16.61 +/- 0.73   0.024% *  0.1608% (0.17   0.02   0.02) =   0.000%
          HN    PHE   59 - QD2   LEU  104  16.91 +/- 1.20   0.023% *  0.0323% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU  104  22.92 +/- 1.45   0.004% *  0.0651% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 8 structures by 0.88 A, kept.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.26, residual support = 77.2:
          HN    VAL   18 - QG2   VAL   18   2.39 +/- 0.60  99.767% * 98.1414% (0.61   5.26  77.16) = 100.000%  kept
          HN    GLU-  29 - QG1   VAL   41   9.69 +/- 0.64   0.051% *  0.3416% (0.55   0.02   0.02) =   0.000%
          HN    GLN   30 - QG1   VAL   41   8.09 +/- 0.67   0.142% *  0.1173% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  14.02 +/- 0.80   0.006% *  0.4470% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  12.13 +/- 0.80   0.016% *  0.1535% (0.25   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  13.29 +/- 0.59   0.006% *  0.2853% (0.46   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  16.59 +/- 2.86   0.003% *  0.1452% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  18.40 +/- 1.59   0.001% *  0.1900% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  17.05 +/- 1.25   0.002% *  0.0687% (0.11   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  17.61 +/- 1.14   0.001% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  15.60 +/- 1.25   0.003% *  0.0236% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  20.02 +/- 2.69   0.001% *  0.0292% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.51, residual support = 74.7:
          HN    VAL   41 - QG1   VAL   41   2.03 +/- 0.29  99.250% * 98.4808% (0.14   4.51  74.66) = 100.000%  kept
          HN    VAL   41 - QD2   LEU  104   6.44 +/- 1.08   0.663% *  0.0235% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  10.96 +/- 0.43   0.005% *  0.6391% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.41 +/- 0.62   0.075% *  0.0343% (0.01   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  11.82 +/- 0.73   0.005% *  0.3340% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  14.97 +/- 1.03   0.001% *  0.4884% (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 = 5.33, residual support = 87.2:
          HN    VAL   83 - QG1   VAL   83   2.45 +/- 0.28  99.955% * 98.5339% (0.36   5.33  87.17) = 100.000%  kept
          HE22  GLN   30 - QG1   VAL   83  11.53 +/- 3.40   0.035% *  0.1778% (0.17   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  13.17 +/- 1.39   0.007% *  0.5088% (0.49   0.02   0.02) =   0.000%
          HN    CYS   50 - QG1   VAL   83  14.40 +/- 1.34   0.004% *  0.7795% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 0.876, residual support = 1.02:
          QG2   VAL   24 - QG1   VAL   83   4.17 +/- 2.75  52.430% * 47.2076% (0.46  1.00   1.01   1.02) =  63.543%  kept
          QG1   VAL   24 - QG1   VAL   83   4.25 +/- 2.45  47.144% * 30.0074% (0.46  1.00   0.64   1.02) =  36.319%  kept
        T QG1   VAL  107 - QG1   VAL   83  14.24 +/- 2.46   0.328% * 15.3946% (0.75 10.00   0.02   0.02) =   0.130%
        T HG    LEU   63 - QG1   VAL   83  18.19 +/- 2.89   0.049% *  6.6608% (0.33 10.00   0.02   0.02) =   0.008%
          HD3   LYS+ 112 - QG1   VAL   83  21.97 +/- 2.62   0.050% *  0.7296% (0.36  1.00   0.02   0.02) =   0.001%
    Distance limit 2.92 A violated in 5 structures by 0.93 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 = 0.466, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  16.19 +/- 0.49  11.235% * 27.9530% (0.14 10.00   0.02   0.02) =  33.918%  kept
          QG    GLU-  79 - HA    ILE   19  11.97 +/- 1.32  67.010% *  3.1869% (0.15  1.00   0.02   0.02) =  23.064%  kept
          HB2   PRO   58 - HA    ILE   19  17.12 +/- 1.62   9.846% * 19.0666% (0.92  1.00   0.02   0.02) =  20.275%  kept
          HB3   PHE   97 - HA    ILE   19  17.16 +/- 0.76   7.935% * 19.0666% (0.92  1.00   0.02   0.02) =  16.339%  kept
          HB2   GLU- 100 - HA    ILE   19  20.55 +/- 0.91   2.732% * 14.1878% (0.69  1.00   0.02   0.02) =   4.186%  kept
          HB2   GLN  116 - HA    ILE   19  23.68 +/- 1.42   1.242% * 16.5389% (0.80  1.00   0.02   0.02) =   2.218%  kept
    Distance limit 3.71 A violated in 20 structures by 7.36 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.05, residual support = 25.4:
      O   HN    ALA   20 - HA    ILE   19   2.27 +/- 0.05  99.997% * 99.9363% (0.73  10.0   5.05  25.36) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  13.40 +/- 0.49   0.002% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  22.23 +/- 2.31   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 = 6.77, residual support = 175.1:
      O   HN    ILE   19 - HA    ILE   19   2.89 +/- 0.02  99.464% * 99.8764% (0.98  10.0   6.77 175.14) = 100.000%  kept
          HN    LEU   73 - HA    ILE   19   7.04 +/- 0.22   0.486% *  0.0618% (0.61   1.0   0.02   4.00) =   0.000%
          HN    VAL   42 - HA    ILE   19  10.31 +/- 0.42   0.050% *  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 = 4.0:
          HA    LEU   73 - HB    ILE   19   2.74 +/- 0.44 100.000% *100.0000% (0.95   2.00   4.00) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.98, residual support = 175.1:
      O   HN    ILE   19 - HB    ILE   19   2.37 +/- 0.22  98.307% * 99.6598% (0.65  10.0   5.98 175.14) =  99.997%  kept
          HN    LEU   73 - HB    ILE   19   4.93 +/- 0.42   1.593% *  0.1487% (0.97   1.0   0.02   4.00) =   0.002%
          HN    VAL   42 - HB    ILE   19   7.64 +/- 0.47   0.100% *  0.1487% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  18.86 +/- 0.49   0.000% *  0.0428% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2334 (1.27, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 175.1:
      O   HG13  ILE   19 - QG2   ILE   19   2.88 +/- 0.19  98.396% * 98.1968% (0.28  10.0   4.89 175.14) =  99.997%  kept
          QB    ALA   34 - QG2   ILE   19   7.33 +/- 0.57   0.439% *  0.3501% (0.99   1.0   0.02   0.02) =   0.002%
          QG2   THR   23 - QG2   ILE   19   7.64 +/- 0.47   0.321% *  0.2699% (0.76   1.0   0.02   0.02) =   0.001%
          QG2   THR   39 - QG2   ILE   19   8.03 +/- 0.78   0.273% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG2   ILE   19   7.23 +/- 0.77   0.535% *  0.0478% (0.14   1.0   0.02   8.39) =   0.000%
          QG2   ILE   56 - QG2   ILE   19  12.69 +/- 1.41   0.018% *  0.3462% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   ILE   19  14.93 +/- 0.91   0.006% *  0.3064% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  14.52 +/- 0.80   0.007% *  0.2142% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  14.92 +/- 1.14   0.006% *  0.0545% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 58.05 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.44, residual support = 175.1:
      O   HG12  ILE   19 - QG2   ILE   19   2.89 +/- 0.34  85.553% * 99.0974% (0.95  10.0  1.00   5.44 175.14) =  99.991%  kept
          HG    LEU   73 - QG2   ILE   19   4.52 +/- 0.74  10.983% *  0.0551% (0.53   1.0  1.00   0.02   4.00) =   0.007%
          HB3   LYS+  74 - QG2   ILE   19   5.44 +/- 0.75   3.154% *  0.0393% (0.38   1.0  1.00   0.02   8.39) =   0.001%
          QB    ALA   61 - QG2   ILE   19   9.62 +/- 1.26   0.103% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   ILE   19  10.79 +/- 2.37   0.070% *  0.1038% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QG2   ILE   19  11.03 +/- 0.79   0.036% *  0.1835% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19  11.31 +/- 1.17   0.038% *  0.0940% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19  11.01 +/- 2.11   0.047% *  0.0593% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  13.60 +/- 0.83   0.009% *  0.0761% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  16.12 +/- 1.37   0.004% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  17.98 +/- 1.22   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  19.11 +/- 1.36   0.001% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2336 (2.01, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.797, support = 4.88, residual support = 174.2:
      O   HB    ILE   19 - QG2   ILE   19   2.12 +/- 0.01  83.919% * 96.2824% (0.80  10.0   4.89 175.14) =  99.409%  kept
          HG3   GLN   30 - QG2   ILE   19   3.48 +/- 1.04  15.958% *  3.0116% (0.22   1.0   2.25  14.95) =   0.591%  kept
          HB2   GLN   17 - QG2   ILE   19   7.00 +/- 0.39   0.072% *  0.1110% (0.92   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE   19   7.83 +/- 0.58   0.038% *  0.1110% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19   9.66 +/- 0.51   0.010% *  0.1200% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  13.49 +/- 1.45   0.002% *  0.0681% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  13.87 +/- 0.80   0.001% *  0.0873% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  18.38 +/- 0.81   0.000% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  21.98 +/- 0.93   0.000% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 58.05 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 2.13, residual support = 14.9:
          HG2   GLN   30 - QG2   ILE   19   3.48 +/- 0.46  99.731% * 96.5706% (0.65   2.13  14.95) =  99.998%  kept
          HB3   ASN   28 - QG2   ILE   19   9.99 +/- 0.58   0.209% *  0.5751% (0.41   0.02   0.02) =   0.001%
          HB3   HIS  122 - QG2   ILE   19  15.49 +/- 1.39   0.016% *  1.2135% (0.87   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QG2   ILE   19  17.46 +/- 1.41   0.010% *  1.3958% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QG2   ILE   19  13.90 +/- 1.06   0.034% *  0.2450% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 175.1:
      O   HA    ILE   19 - QG2   ILE   19   2.55 +/- 0.24  99.954% * 99.7522% (0.92  10.0   5.75 175.14) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19   9.69 +/- 0.45   0.042% *  0.1081% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  16.59 +/- 1.82   0.002% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  16.04 +/- 0.73   0.002% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.67, residual support = 25.4:
          HN    ALA   20 - QG2   ILE   19   2.45 +/- 0.31  99.978% * 97.9036% (0.31   3.67  25.36) = 100.000%  kept
          HN    PHE   45 - QG2   ILE   19  10.96 +/- 0.72   0.021% *  1.2551% (0.73   0.02   0.02) =   0.000%
          HN    ALA  110 - QG2   ILE   19  18.78 +/- 1.70   0.001% *  0.8413% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.76, residual support = 175.1:
          HN    ILE   19 - QG2   ILE   19   3.58 +/- 0.24  91.967% * 98.8282% (0.65   5.76 175.14) =  99.955%  kept
          HN    LEU   73 - QG2   ILE   19   5.59 +/- 0.64   7.013% *  0.5121% (0.97   0.02   4.00) =   0.039%
          HN    VAL   42 - QG2   ILE   19   7.67 +/- 0.64   1.012% *  0.5121% (0.97   0.02   0.02) =   0.006%
          HN    LYS+ 106 - QG2   ILE   19  17.16 +/- 0.71   0.008% *  0.1475% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.457, support = 0.0199, residual support = 0.396:
          QD2   LEU   67 - HG13  ILE   19  10.07 +/- 2.97  13.981% * 39.2581% (0.69   0.02   0.02) =  56.698%  kept
          QD1   LEU   40 - HG    LEU   71   6.50 +/- 1.10  61.370% *  3.3680% (0.06   0.02   1.78) =  21.351%  kept
          QD1   LEU   40 - HG13  ILE   19  10.38 +/- 1.01   4.327% * 23.4959% (0.41   0.02   0.02) =  10.501%  kept
          QD2   LEU   67 - HG    LEU   71   8.67 +/- 2.10  17.667% *  5.6275% (0.10   0.02   0.02) =  10.270%  kept
          QG2   ILE  119 - HG13  ILE   19  15.54 +/- 1.72   0.374% * 15.8904% (0.28   0.02   0.02) =   0.614%  kept
          QD1   ILE  103 - HG13  ILE   19  16.31 +/- 1.00   0.278% *  8.8183% (0.15   0.02   0.02) =   0.254%
          QD1   ILE  103 - HG    LEU   71  12.77 +/- 1.17   1.508% *  1.2641% (0.02   0.02   0.02) =   0.197%
          QG2   ILE  119 - HG    LEU   71  14.48 +/- 1.83   0.495% *  2.2778% (0.04   0.02   0.02) =   0.116%
    Distance limit 2.96 A violated in 20 structures by 2.80 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 5.98, residual support = 175.1:
          HN    ILE   19 - HG13  ILE   19   3.18 +/- 0.54  88.883% * 98.6651% (0.65   5.98 175.14) =  99.986%  kept
          HN    LEU   73 - HG13  ILE   19   6.94 +/- 0.63   0.974% *  0.4922% (0.97   0.02   4.00) =   0.005%
          HN    VAL   42 - HG    LEU   71   5.41 +/- 0.80   6.461% *  0.0706% (0.14   0.02   5.27) =   0.005%
          HN    LEU   73 - HG    LEU   71   7.00 +/- 1.08   1.613% *  0.0706% (0.14   0.02   0.02) =   0.001%
          HN    VAL   42 - HG13  ILE   19   9.25 +/- 0.87   0.200% *  0.4922% (0.97   0.02   0.02) =   0.001%
          HN    ILE   19 - HG    LEU   71   7.35 +/- 1.40   1.861% *  0.0473% (0.09   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG13  ILE   19  20.57 +/- 0.73   0.002% *  0.1418% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  17.11 +/- 0.89   0.005% *  0.0203% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.13, residual support = 14.9:
          HE22  GLN   30 - QG2   ILE   19   3.18 +/- 0.58  99.754% * 97.3475% (0.41   2.13  14.95) =  99.998%  kept
          QE    PHE   45 - QG2   ILE   19   9.43 +/- 0.97   0.219% *  0.4390% (0.20   0.02   0.02) =   0.001%
          HD22  ASN   69 - QG2   ILE   19  13.84 +/- 0.77   0.027% *  2.2135% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2344 (7.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.04, residual support = 14.9:
          HE21  GLN   30 - QG2   ILE   19   2.79 +/- 0.78  99.292% * 97.4540% (1.00   2.04  14.95) =  99.994%  kept
          HD1   TRP   27 - QG2   ILE   19   7.75 +/- 1.25   0.670% *  0.8309% (0.87   0.02   0.02) =   0.006%
          QD    PHE   59 - QG2   ILE   19  12.66 +/- 0.78   0.036% *  0.8309% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   ILE   19  19.87 +/- 1.54   0.002% *  0.8842% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.23, residual support = 14.9:
          HE22  GLN   30 - QD1   ILE   19   3.83 +/- 0.42  99.949% * 93.9554% (0.25   2.23  14.95) =  99.999%  kept
          HN    VAL   83 - QD1   ILE   19  15.90 +/- 2.14   0.031% *  1.1527% (0.34   0.02   0.02) =   0.000%
          HN    CYS   50 - QD1   ILE   19  18.61 +/- 1.03   0.009% *  2.7059% (0.80   0.02   0.02) =   0.000%
          HN    TRP   49 - QD1   ILE   19  18.32 +/- 0.75   0.011% *  2.1861% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2346 (8.98, 0.74, 12.33 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QD1   ILE   19  17.45 +/- 0.95 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 3.88 A violated in 20 structures by 13.58 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.85, residual support = 25.4:
          HA    ILE   19 - QB    ALA   20   3.85 +/- 0.05  99.784% * 98.7252% (0.92   3.85  25.36) =  99.999%  kept
          HA    GLU-  25 - QB    ALA   20  11.45 +/- 0.32   0.147% *  0.5559% (1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    ALA   20  14.29 +/- 1.27   0.045% *  0.3818% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  15.69 +/- 1.17   0.024% *  0.3371% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 0.0199, residual support = 6.96:
          QE    LYS+  74 - QB    ALA   20   6.09 +/- 0.89  77.230% * 25.4326% (0.90   0.02   8.19) =  84.950%  kept
          HB2   PHE   72 - QB    ALA   20   8.05 +/- 0.58  17.238% * 16.0552% (0.57   0.02   0.02) =  11.970%  kept
          QB    CYS   50 - QB    ALA   20  11.97 +/- 1.53   1.823% * 26.1780% (0.92   0.02   0.02) =   2.064%  kept
          HB3   ASP-  78 - QB    ALA   20  10.80 +/- 1.43   3.482% *  4.9664% (0.18   0.02   0.02) =   0.748%  kept
          HB3   ASN   69 - QB    ALA   20  16.62 +/- 0.73   0.227% * 27.3678% (0.97   0.02   0.02) =   0.268%
    Distance limit 3.55 A violated in 19 structures by 2.25 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.919, support = 2.11, residual support = 5.2:
          HD2   HIS   22 - QB    ALA   20   3.14 +/- 0.69  97.013% * 71.5635% (0.92   2.12   5.26) =  98.936%  kept
          HN    THR   23 - QB    ALA   20   6.12 +/- 0.18   2.848% * 26.1990% (0.53   1.36   0.02) =   1.063%  kept
          QE    PHE   95 - QB    ALA   20  11.46 +/- 0.95   0.073% *  0.3565% (0.49   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   20  13.46 +/- 0.82   0.028% *  0.6568% (0.90   0.02   0.02) =   0.000%
          HD1   TRP   49 - QB    ALA   20  14.36 +/- 1.21   0.020% *  0.7259% (0.99   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   20  17.35 +/- 0.77   0.005% *  0.3853% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  15.92 +/- 1.94   0.013% *  0.1130% (0.15   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 = 3.66, residual support = 14.4:
          HN    CYS   21 - QB    ALA   20   3.53 +/- 0.02  99.918% * 99.0739% (0.95   3.66  14.43) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.44 +/- 0.52   0.054% *  0.3475% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  16.66 +/- 1.40   0.011% *  0.1768% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  18.78 +/- 1.06   0.005% *  0.3014% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  15.86 +/- 0.60   0.013% *  0.1003% (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 = 3.73, residual support = 15.2:
      O   HN    ALA   20 - QB    ALA   20   2.22 +/- 0.10  99.992% * 99.6086% (0.31  10.0   3.73  15.22) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.91 +/- 0.72   0.008% *  0.2343% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  18.45 +/- 2.08   0.000% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2352 (1.84, 3.08, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.484, support = 0.02, residual support = 0.02:
          QB    LYS+  33 - HB2   CYS   21   9.77 +/- 0.89  52.330% *  4.7734% (0.34   0.02   0.02) =  42.890%  kept
          HB    VAL   41 - HB2   CYS   21  11.58 +/- 0.98  20.866% *  9.0526% (0.65   0.02   0.02) =  32.434%  kept
          HG12  ILE  103 - HB2   CYS   21  15.94 +/- 1.18   3.074% * 11.2053% (0.80   0.02   0.02) =   5.915%  kept
          QB    LYS+  81 - HB2   CYS   21  13.23 +/- 1.15   8.908% *  3.1155% (0.22   0.02   0.02) =   4.765%  kept
          QB    LYS+  66 - HB2   CYS   21  16.92 +/- 0.80   2.042% *  6.2738% (0.45   0.02   0.02) =   2.200%  kept
          HG2   ARG+  54 - HB2   CYS   21  18.68 +/- 2.28   1.723% *  6.8115% (0.49   0.02   0.02) =   2.015%  kept
          QB    LYS+ 106 - HB2   CYS   21  15.11 +/- 1.19   4.166% *  2.7693% (0.20   0.02   0.02) =   1.981%  kept
          HB3   PRO   52 - HB2   CYS   21  20.50 +/- 1.57   0.674% * 13.7167% (0.98   0.02   0.02) =   1.588%  kept
          HB    ILE  103 - HB2   CYS   21  18.40 +/- 1.15   1.253% *  7.3624% (0.53   0.02   0.02) =   1.584%  kept
          HB3   ASP- 105 - HB2   CYS   21  18.80 +/- 0.99   1.112% *  6.2738% (0.45   0.02   0.02) =   1.198%  kept
          HG3   PRO   68 - HB2   CYS   21  19.74 +/- 1.18   0.837% *  7.9226% (0.57   0.02   0.02) =   1.138%  kept
          HG2   PRO   93 - HB2   CYS   21  17.65 +/- 1.17   1.652% *  3.1155% (0.22   0.02   0.02) =   0.884%  kept
          HB3   GLN   90 - HB2   CYS   21  18.92 +/- 1.55   1.067% *  3.8908% (0.28   0.02   0.02) =   0.713%  kept
          HG    LEU  123 - HB2   CYS   21  24.16 +/- 2.33   0.295% * 13.7167% (0.98   0.02   0.02) =   0.695%  kept
    Distance limit 3.63 A violated in 20 structures by 5.04 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.799, support = 1.5, residual support = 7.44:
          QD1   LEU   73 - HB2   CYS   21   3.81 +/- 0.82  75.370% * 94.3053% (0.80   1.50   7.45) =  99.803%  kept
          QD2   LEU   80 - HB2   CYS   21   5.99 +/- 2.11  17.315% *  0.6456% (0.41   0.02   0.02) =   0.157%
          QD1   LEU   80 - HB2   CYS   21   6.95 +/- 2.46   6.184% *  0.3496% (0.22   0.02   0.02) =   0.030%
          QG2   VAL   41 - HB2   CYS   21   8.37 +/- 0.72   0.747% *  0.5894% (0.38   0.02   0.02) =   0.006%
          QD1   LEU   63 - HB2   CYS   21  12.58 +/- 1.27   0.077% *  1.2574% (0.80   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB2   CYS   21  10.44 +/- 1.29   0.228% *  0.3496% (0.22   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   CYS   21  13.70 +/- 1.42   0.048% *  1.4496% (0.92   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   CYS   21  16.74 +/- 2.19   0.018% *  0.7040% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   CYS   21  16.38 +/- 0.83   0.013% *  0.3496% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 4 structures by 0.38 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.76, residual support = 28.9:
      O T HA    CYS   21 - HB2   CYS   21   2.79 +/- 0.29  99.994% * 99.6850% (0.92  10.0 10.00   2.76  28.89) = 100.000%  kept
          HA    LYS+ 102 - HB2   CYS   21  18.72 +/- 1.31   0.001% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  18.08 +/- 2.04   0.002% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  18.79 +/- 1.08   0.001% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  21.55 +/- 1.20   0.001% *  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 = 0.753, support = 2.92, residual support = 5.42:
          HD2   HIS   22 - HB2   CYS   21   5.16 +/- 0.59  31.525% * 73.3091% (0.92   3.52   6.54) =  57.234%  kept
          HN    THR   23 - HB2   CYS   21   4.35 +/- 0.47  68.224% * 25.3106% (0.53   2.13   3.93) =  42.764%  kept
          QE    PHE   95 - HB2   CYS   21  12.27 +/- 0.81   0.155% *  0.2199% (0.49   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   CYS   21  16.47 +/- 0.88   0.025% *  0.4052% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   CYS   21  15.66 +/- 1.29   0.038% *  0.2377% (0.53   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   CYS   21  17.58 +/- 1.29   0.018% *  0.4478% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  19.71 +/- 2.21   0.014% *  0.0697% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.42, residual support = 28.9:
      O   HN    CYS   21 - HB2   CYS   21   2.80 +/- 0.34  99.945% * 99.8294% (0.95  10.0   3.42  28.89) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  10.63 +/- 0.78   0.046% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  16.14 +/- 1.83   0.003% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  15.51 +/- 0.69   0.004% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  20.99 +/- 1.14   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.32, support = 0.02, residual support = 0.02:
          QB    LYS+  33 - HB3   CYS   21   9.63 +/- 0.69  56.460% *  4.7734% (0.23   0.02   0.02) =  47.883%  kept
          HB    VAL   41 - HB3   CYS   21  11.91 +/- 1.30  18.576% *  9.0526% (0.44   0.02   0.02) =  29.876%  kept
          QB    LYS+  81 - HB3   CYS   21  12.98 +/- 1.58  11.113% *  3.1155% (0.15   0.02   0.02) =   6.151%  kept
          HG12  ILE  103 - HB3   CYS   21  16.26 +/- 1.34   2.643% * 11.2053% (0.55   0.02   0.02) =   5.261%  kept
          QB    LYS+  66 - HB3   CYS   21  17.80 +/- 0.96   1.476% *  6.2738% (0.31   0.02   0.02) =   1.645%  kept
          QB    LYS+ 106 - HB3   CYS   21  15.69 +/- 1.26   3.321% *  2.7693% (0.14   0.02   0.02) =   1.634%  kept
          HB    ILE  103 - HB3   CYS   21  18.74 +/- 1.34   1.101% *  7.3624% (0.36   0.02   0.02) =   1.440%  kept
          HB3   PRO   52 - HB3   CYS   21  21.32 +/- 1.32   0.497% * 13.7167% (0.67   0.02   0.02) =   1.211%  kept
          HG2   ARG+  54 - HB3   CYS   21  19.59 +/- 2.05   0.978% *  6.8115% (0.33   0.02   0.02) =   1.183%  kept
          HB3   ASP- 105 - HB3   CYS   21  19.54 +/- 1.29   0.862% *  6.2738% (0.31   0.02   0.02) =   0.961%  kept
          HG3   PRO   68 - HB3   CYS   21  20.58 +/- 1.59   0.648% *  7.9226% (0.39   0.02   0.02) =   0.912%  kept
          HB3   GLN   90 - HB3   CYS   21  19.18 +/- 1.57   0.960% *  3.8908% (0.19   0.02   0.02) =   0.664%  kept
          HG2   PRO   93 - HB3   CYS   21  18.52 +/- 0.81   1.142% *  3.1155% (0.15   0.02   0.02) =   0.632%  kept
          HG    LEU  123 - HB3   CYS   21  25.10 +/- 2.52   0.225% * 13.7167% (0.67   0.02   0.02) =   0.548%  kept
    Distance limit 3.73 A violated in 20 structures by 4.96 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 = 2.74:
          QG2   THR   26 - HB3   CYS   21   2.34 +/- 0.46  99.466% * 95.4718% (0.60   2.00   2.74) =  99.994%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.34 +/- 0.81   0.528% *  1.0982% (0.69   0.02  10.26) =   0.006%
          HB3   LEU   40 - HB3   CYS   21  15.56 +/- 1.00   0.003% *  0.6231% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   CYS   21  17.08 +/- 1.75   0.002% *  0.8813% (0.55   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  21.43 +/- 2.21   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  19.62 +/- 1.16   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  23.27 +/- 1.80   0.000% *  0.7992% (0.50   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  21.82 +/- 1.27   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 = 7.42:
          QD1   LEU   73 - HB3   CYS   21   4.05 +/- 0.94  59.866% * 94.3053% (0.55   1.50   7.45) =  99.588%  kept
          QD2   LEU   80 - HB3   CYS   21   5.57 +/- 2.64  30.807% *  0.6456% (0.28   0.02   0.02) =   0.351%
          QD1   LEU   80 - HB3   CYS   21   6.61 +/- 2.89   8.570% *  0.3496% (0.15   0.02   0.02) =   0.053%
          QG2   VAL   41 - HB3   CYS   21   8.58 +/- 0.86   0.523% *  0.5894% (0.26   0.02   0.02) =   0.005%
          QD2   LEU   98 - HB3   CYS   21  10.69 +/- 1.38   0.155% *  0.3496% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   CYS   21  13.43 +/- 1.30   0.037% *  1.2574% (0.55   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   CYS   21  14.52 +/- 1.38   0.024% *  1.4496% (0.63   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   CYS   21  17.61 +/- 2.38   0.010% *  0.7040% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   CYS   21  16.82 +/- 1.03   0.009% *  0.3496% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 4 structures by 0.47 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.34, residual support = 28.9:
      O   HN    CYS   21 - HB3   CYS   21   3.54 +/- 0.35  99.779% * 99.8294% (0.65  10.0   3.34  28.89) = 100.000%  kept
          HN    LYS+  33 - HB3   CYS   21  10.34 +/- 0.49   0.188% *  0.0640% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  16.32 +/- 1.95   0.015% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.48 +/- 0.43   0.016% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  21.94 +/- 1.35   0.002% *  0.0555% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.03 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   3.39 +/- 0.70  99.828% * 88.5615% (0.52   0.75   1.50) =  99.996%  kept
          HD1   TRP   87 - HB3   CYS   21  13.61 +/- 2.52   0.050% *  2.8553% (0.63   0.02   0.02) =   0.002%
          HN    THR   39 - HB3   CYS   21  15.40 +/- 0.56   0.025% *  2.9259% (0.65   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   CYS   21  14.64 +/- 0.41   0.031% *  1.7512% (0.39   0.02   0.02) =   0.001%
          HN    ALA   61 - HB3   CYS   21  15.52 +/- 1.33   0.030% *  1.0551% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   CYS   21  17.49 +/- 0.98   0.010% *  1.2716% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  18.90 +/- 2.09   0.007% *  1.1609% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   CYS   21  16.14 +/- 2.76   0.018% *  0.4186% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 1 structures by 0.12 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.444, support = 2.57, residual support = 4.72:
          HN    THR   23 - HB3   CYS   21   3.57 +/- 0.55  89.971% * 20.0459% (0.36   1.87   3.93) =  69.766%  kept
          HD2   HIS   22 - HB3   CYS   21   5.43 +/- 0.35   9.930% * 78.7080% (0.63   4.18   6.54) =  30.234%  kept
          QE    PHE   95 - HB3   CYS   21  13.19 +/- 0.68   0.051% *  0.1985% (0.33   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   CYS   21  15.38 +/- 1.06   0.022% *  0.2146% (0.36   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  17.43 +/- 1.10   0.012% *  0.3658% (0.62   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  18.05 +/- 1.24   0.007% *  0.4042% (0.68   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  20.58 +/- 2.03   0.007% *  0.0629% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.49, residual support = 28.9:
      O T HA    CYS   21 - HB3   CYS   21   2.47 +/- 0.15  99.998% * 99.6850% (0.63  10.0 10.00   2.49  28.89) = 100.000%  kept
          HA    LYS+ 102 - HB3   CYS   21  18.91 +/- 1.50   0.001% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  18.80 +/- 1.83   0.001% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  19.39 +/- 0.77   0.000% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  22.34 +/- 1.26   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 = 0.712, support = 2.73, residual support = 33.4:
      O   HD2   HIS   22 - HB2   HIS   22   3.61 +/- 0.30  60.714% * 87.1091% (0.74  10.0   2.51  34.50) =  91.449%  kept
          HN    THR   23 - HB2   HIS   22   3.92 +/- 0.54  39.242% * 12.6026% (0.42   1.0   5.08  21.47) =   8.551%  kept
          HD1   TRP   49 - HB2   HIS   22  15.23 +/- 2.40   0.027% *  0.0935% (0.79   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  15.95 +/- 1.34   0.012% *  0.0459% (0.39   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  21.46 +/- 0.90   0.002% *  0.0846% (0.72   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  21.48 +/- 1.16   0.001% *  0.0496% (0.42   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  21.13 +/- 2.32   0.003% *  0.0146% (0.12   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 = 3.19, residual support = 34.1:
      O   HD2   HIS   22 - HB3   HIS   22   3.74 +/- 0.24  65.138% * 94.7799% (0.95  10.0   3.12  34.50) =  97.268%  kept
          HN    THR   23 - HB3   HIS   22   4.17 +/- 0.25  34.826% *  4.9797% (0.18   1.0   5.68  21.47) =   2.732%  kept
          HD1   TRP   49 - HB3   HIS   22  14.98 +/- 1.71   0.021% *  0.0837% (0.84   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  16.12 +/- 1.26   0.011% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  21.82 +/- 0.87   0.002% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  21.71 +/- 0.98   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 = 3.35, residual support = 21.5:
          QG2   THR   23 - HB3   HIS   22   3.41 +/- 0.37  99.585% * 96.0121% (0.34   3.35  21.47) =  99.993%  kept
          QG2   THR   77 - HB3   HIS   22   9.76 +/- 1.09   0.404% *  1.6673% (0.99   0.02   0.02) =   0.007%
          QB    ALA   88 - HB3   HIS   22  17.24 +/- 1.42   0.009% *  1.2215% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  25.80 +/- 0.74   0.001% *  0.6313% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  25.78 +/- 0.92   0.001% *  0.4677% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.02 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   3.21 +/- 0.67  99.081% * 98.4521% (0.38   3.21  12.67) =  99.985%  kept
          QD    PHE   95 - HB    THR   46   8.18 +/- 1.14   0.919% *  1.5479% (0.95   0.02   0.02) =   0.015%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 34.5:
      O   HN    THR   46 - HB    THR   46   3.54 +/- 0.33  98.479% * 99.6646% (0.87  10.0   3.25  34.51) =  99.999%  kept
          HN    MET   92 - HB    THR   46   8.48 +/- 1.51   1.165% *  0.0789% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB    THR   46   9.39 +/- 1.28   0.331% *  0.1126% (0.98   1.0   0.02   0.12) =   0.000%
          HN    LYS+ 112 - HB    THR   46  15.22 +/- 1.25   0.025% *  0.0604% (0.53   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  32.64 +/- 3.38   0.000% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.494, support = 0.0199, residual support = 0.0199:
          QG2   THR   77 - HB2   HIS   22   9.81 +/- 1.39  38.676% * 12.9434% (0.64  1.00   0.02   0.02) =  63.357%  kept
          HB3   LEU   80 - HB2   HIS   22   9.29 +/- 1.88  55.614% *  4.0306% (0.20  1.00   0.02   0.02) =  28.370%  kept
        T HB2   LEU   63 - HB2   HIS   22  19.57 +/- 1.55   0.737% * 28.3087% (0.14 10.00   0.02   0.02) =   2.641%  kept
          HB2   LEU   31 - HB2   HIS   22  15.38 +/- 0.69   3.373% *  6.0667% (0.30  1.00   0.02   0.02) =   2.590%  kept
          QB    ALA   88 - HB2   HIS   22  17.32 +/- 1.61   1.205% * 16.1643% (0.80  1.00   0.02   0.02) =   2.466%  kept
          HG2   LYS+  38 - HB2   HIS   22  25.42 +/- 0.70   0.160% * 13.5016% (0.67  1.00   0.02   0.02) =   0.274%
          HG2   LYS+  99 - HB2   HIS   22  25.42 +/- 0.77   0.155% * 11.7377% (0.58  1.00   0.02   0.02) =   0.231%
          HG2   LYS+ 111 - HB2   HIS   22  27.95 +/- 2.17   0.079% *  7.2470% (0.36  1.00   0.02   0.02) =   0.073%
    Distance limit 3.89 A violated in 20 structures by 4.36 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 14.4:
      O   HN    CYS   21 - HA    ALA   20   2.21 +/- 0.01  99.997% * 99.8294% (0.95  10.0   2.86  14.43) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  13.73 +/- 0.57   0.002% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  18.26 +/- 1.70   0.000% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  20.61 +/- 1.13   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.81 +/- 0.62   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   8.24 +/- 0.78 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.16 A violated in 20 structures by 5.08 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   3.69 +/- 1.31  99.118% * 18.5628% (0.57   0.02   0.02) =  99.292%  kept
          HB3   PHE   45 - HA    HIS   22  10.52 +/- 1.42   0.789% * 13.7211% (0.42   0.02   0.02) =   0.584%  kept
          QG    GLN   32 - HA    HIS   22  16.05 +/- 0.86   0.056% * 27.4474% (0.85   0.02   0.02) =   0.082%
          HB    VAL  107 - HA    HIS   22  19.40 +/- 1.40   0.020% * 26.5475% (0.82   0.02   0.02) =   0.029%
          QE    LYS+ 112 - HA    HIS   22  21.54 +/- 2.50   0.018% * 13.7211% (0.42   0.02   0.02) =   0.013%
    Distance limit 3.27 A violated in 8 structures by 0.74 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 = 0.334, support = 0.0198, residual support = 0.0198:
        T HB2   LEU   73 - HA    HIS   22   8.62 +/- 0.91  35.646% * 28.4146% (0.26 10.00   0.02   0.02) =  77.898%  kept
          HB    VAL   83 - HA    HIS   22   9.67 +/- 1.94  25.392% *  8.1833% (0.76  1.00   0.02   0.02) =  15.981%  kept
          HD2   LYS+  74 - HA    HIS   22   8.65 +/- 1.18  36.763% *  1.7898% (0.17  1.00   0.02   0.02) =   5.061%  kept
          HG3   PRO   93 - HA    HIS   22  17.21 +/- 1.74   0.575% *  8.5362% (0.79  1.00   0.02   0.02) =   0.378%
          QD    LYS+  65 - HA    HIS   22  17.81 +/- 1.59   0.460% *  7.4210% (0.69  1.00   0.02   0.02) =   0.263%
          HB3   MET   92 - HA    HIS   22  17.59 +/- 1.61   0.517% *  4.2014% (0.39  1.00   0.02   0.02) =   0.167%
          QD    LYS+ 102 - HA    HIS   22  22.74 +/- 1.61   0.110% *  9.8627% (0.91  1.00   0.02   0.02) =   0.083%
          QD    LYS+  38 - HA    HIS   22  23.36 +/- 0.62   0.089% *  9.4340% (0.87  1.00   0.02   0.02) =   0.065%
          QD    LYS+ 106 - HA    HIS   22  19.10 +/- 2.11   0.322% *  1.5768% (0.15  1.00   0.02   0.02) =   0.039%
          HB2   LYS+ 121 - HA    HIS   22  24.95 +/- 1.48   0.058% *  7.0200% (0.65  1.00   0.02   0.02) =   0.031%
          HB2   LEU  123 - HA    HIS   22  28.13 +/- 2.20   0.029% *  8.1833% (0.76  1.00   0.02   0.02) =   0.018%
          HD2   LYS+ 111 - HA    HIS   22  26.84 +/- 1.49   0.040% *  5.3768% (0.50  1.00   0.02   0.02) =   0.016%
    Distance limit 3.42 A violated in 20 structures by 3.73 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  10.50 +/- 0.35  98.014% * 67.5049% (0.39   0.02   0.02) =  99.034%  kept
          HN    LEU   40 - HA    HIS   22  20.18 +/- 0.78   1.986% * 32.4951% (0.19   0.02   0.02) =   0.966%  kept
    Distance limit 3.55 A violated in 20 structures by 6.91 A, eliminated.
    Peak unassigned.
 
    Peak 2377 (0.51, 4.68, 56.96 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2378 (9.20, 4.83, 58.62 ppm):
    1 chemical-shift based assignment, quality = 0.641, support = 5.09, residual support = 25.2:
      O   HN    VAL   24 - HA    THR   23   2.26 +/- 0.10 100.000% *100.0000% (0.64  10.0   5.09  25.22) = 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):
    1 chemical-shift based assignment, quality = 0.487, support = 5.38, residual support = 25.2:
          HN    VAL   24 - HB    THR   23   3.16 +/- 0.34 100.000% *100.0000% (0.49   5.38  25.22) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.727, support = 4.71, residual support = 19.2:
          HN    THR   23 - QG2   THR   23   3.18 +/- 0.33  87.016% * 62.4806% (0.73   4.75  19.20) =  98.095%  kept
          HD2   HIS   22 - QG2   THR   23   5.72 +/- 0.44   2.947% * 35.7001% (0.76   2.58  21.47) =   1.898%  kept
          HD1   TRP   49 - QB    ALA   91   6.50 +/- 2.33   8.435% *  0.0341% (0.09   0.02   0.02) =   0.005%
          HE3   TRP   27 - QG2   THR   23   7.65 +/- 1.01   0.690% *  0.0806% (0.22   0.02   1.56) =   0.001%
          HN    LEU   67 - QG2   THR   39   8.86 +/- 0.73   0.227% *  0.0799% (0.22   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39   9.62 +/- 1.28   0.246% *  0.0275% (0.08   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    ALA   91   9.91 +/- 1.74   0.167% *  0.0261% (0.07   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  14.53 +/- 1.44   0.013% *  0.3247% (0.90   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  12.30 +/- 1.69   0.048% *  0.0554% (0.15   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  15.09 +/- 1.03   0.009% *  0.2487% (0.69   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  12.16 +/- 1.76   0.054% *  0.0179% (0.05   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  11.11 +/- 1.20   0.065% *  0.0106% (0.03   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  15.12 +/- 0.91   0.009% *  0.0616% (0.17   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  14.11 +/- 1.75   0.020% *  0.0291% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  19.95 +/- 0.86   0.002% *  0.3588% (0.99   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  15.11 +/- 0.84   0.009% *  0.0585% (0.16   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  16.97 +/- 0.81   0.004% *  0.1235% (0.34   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  14.49 +/- 1.13   0.013% *  0.0276% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  19.87 +/- 1.61   0.002% *  0.1007% (0.28   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  13.42 +/- 1.17   0.020% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  20.17 +/- 0.68   0.002% *  0.0377% (0.10   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  19.72 +/- 1.23   0.002% *  0.0224% (0.06   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  24.55 +/- 1.07   0.000% *  0.0723% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  22.80 +/- 2.14   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   3.01 +/- 0.73  99.949% * 91.4876% (0.34   1.83  10.83) =  99.999%  kept
          HG3   MET   96 - HA    VAL   83  14.49 +/- 3.74   0.033% *  2.9252% (1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HA    VAL   83  16.18 +/- 3.62   0.017% *  0.6513% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  24.45 +/- 4.14   0.001% *  2.7003% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  25.24 +/- 2.05   0.001% *  2.2356% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.05 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   3.06 +/- 0.64  99.903% * 99.6258% (0.98 10.00   2.25  10.83) = 100.000%  kept
          HB2   ASN   28 - HA    VAL   83  12.71 +/- 3.83   0.058% *  0.0912% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    VAL   83  12.33 +/- 0.80   0.034% *  0.0283% (0.28  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  19.72 +/- 3.67   0.003% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  20.89 +/- 4.04   0.002% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  24.66 +/- 1.62   0.001% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 87.2:
      O   HN    VAL   83 - HA    VAL   83   2.80 +/- 0.02  99.993% * 99.7575% (0.57  10.0   4.70  87.17) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  17.21 +/- 1.62   0.003% *  0.1700% (0.97   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  15.71 +/- 1.38   0.005% *  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   3.02 +/- 0.16  99.970% * 97.0740% (0.95   2.25  10.83) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  14.92 +/- 3.67   0.011% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  14.05 +/- 3.59   0.016% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  20.70 +/- 4.00   0.002% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  24.30 +/- 3.86   0.001% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  28.91 +/- 3.15   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 = 0.717, support = 3.96, residual support = 13.0:
          HD1   TRP   87 - HA    VAL   83   5.08 +/- 0.86  86.744% * 85.1554% (0.73   4.00  12.99) =  98.062%  kept
          HE3   TRP   87 - HA    VAL   83   7.54 +/- 0.50  11.318% * 12.8168% (0.28   1.57  12.99) =   1.926%  kept
          HN    TRP   27 - HA    VAL   83  11.88 +/- 3.15   1.157% *  0.5540% (0.95   0.02   0.81) =   0.009%
          HN    ALA   91 - HA    VAL   83  11.62 +/- 0.62   0.702% *  0.3789% (0.65   0.02   0.02) =   0.004%
          HN    THR   39 - HA    VAL   83  23.66 +/- 3.82   0.014% *  0.4476% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   83  21.93 +/- 1.55   0.017% *  0.3316% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    VAL   83  22.49 +/- 4.10   0.020% *  0.1998% (0.34   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   83  21.50 +/- 4.17   0.030% *  0.1159% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 14 structures by 1.26 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.397, support = 1.84, residual support = 8.87:
          QD2   LEU   80 - HA    VAL   24   3.47 +/- 2.58  73.899% * 68.7654% (0.41   1.88   8.89) =  93.007%  kept
          QD1   LEU   80 - HA    VAL   24   4.93 +/- 2.79  14.985% * 24.5014% (0.22   1.24   8.89) =   6.720%  kept
          QD1   LEU   73 - HA    VAL   24   6.39 +/- 1.22  10.083% *  1.4213% (0.80   0.02   0.02) =   0.262%
          QG2   VAL   41 - HA    VAL   24   9.42 +/- 1.20   0.587% *  0.6662% (0.38   0.02   0.02) =   0.007%
          QD2   LEU   98 - HA    VAL   24  10.60 +/- 1.73   0.388% *  0.3952% (0.22   0.02   0.02) =   0.003%
          QD1   LEU   63 - HA    VAL   24  15.72 +/- 1.30   0.020% *  1.4213% (0.80   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    VAL   24  17.01 +/- 1.45   0.012% *  1.6385% (0.92   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  19.46 +/- 2.63   0.015% *  0.7958% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   24  17.80 +/- 1.53   0.011% *  0.3952% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 2 structures by 0.74 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.2:
      O T HB    VAL   24 - HA    VAL   24   2.63 +/- 0.23  99.963% * 98.9275% (1.00  10.0 10.00   3.97  65.16) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.18 +/- 0.42   0.036% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  24.12 +/- 1.60   0.000% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  20.00 +/- 1.33   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  21.53 +/- 2.64   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  24.16 +/- 1.50   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 = 22.7:
        T HB3   TRP   27 - HA    VAL   24   3.26 +/- 0.29  99.973% * 99.7179% (1.00 10.00   3.00  22.72) = 100.000%  kept
          HB2   PHE   97 - HA    VAL   24  17.93 +/- 1.72   0.005% *  0.0991% (0.99  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    VAL   24  17.47 +/- 2.17   0.007% *  0.0647% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  16.76 +/- 1.61   0.009% *  0.0448% (0.45  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  18.94 +/- 1.30   0.003% *  0.0486% (0.49  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  20.46 +/- 0.67   0.002% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 65.2:
      O   HN    VAL   24 - HA    VAL   24   2.78 +/- 0.04 100.000% *100.0000% (0.97  10.0   4.34  65.16) = 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 = 0.871, support = 5.65, residual support = 31.1:
      O   HN    GLU-  25 - HA    VAL   24   3.59 +/- 0.03  51.274% * 86.0939% (0.92  10.0   5.65  33.88) =  86.795%  kept
          HN    ASN   28 - HA    VAL   24   3.63 +/- 0.34  48.603% * 13.8178% (0.53   1.0   5.63  13.04) =  13.205%  kept
          HN    ASP-  44 - HA    VAL   24  10.18 +/- 1.27   0.123% *  0.0882% (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 = 3.08, residual support = 22.7:
          HN    TRP   27 - HA    VAL   24   3.15 +/- 0.12  99.897% * 94.7399% (0.45   3.08  22.72) =  99.999%  kept
          HD1   TRP   87 - HA    VAL   24  11.25 +/- 2.25   0.083% *  1.3591% (0.99   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    VAL   24  15.82 +/- 0.34   0.006% *  1.1894% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  17.50 +/- 0.79   0.003% *  1.3441% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  18.93 +/- 2.72   0.003% *  0.9419% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  16.37 +/- 0.96   0.006% *  0.2401% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  19.09 +/- 1.47   0.002% *  0.1856% (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 = 3.23, residual support = 65.2:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.02  99.987% * 98.9402% (0.98  10.0 10.00   3.23  65.16) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.87 +/- 0.67   0.003% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.61 +/- 2.41   0.002% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.04 +/- 0.33   0.005% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  22.25 +/- 1.71   0.000% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.02 +/- 1.51   0.001% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.55 +/- 1.78   0.000% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  18.79 +/- 1.08   0.000% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.83 +/- 3.27   0.000% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  16.14 +/- 1.45   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  24.90 +/- 2.70   0.000% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  28.40 +/- 2.69   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 = 3.18, residual support = 65.2:
      O   QG2   VAL   24 - HB    VAL   24   2.13 +/- 0.01  99.992% * 99.6470% (1.00  10.0   3.18  65.16) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  11.61 +/- 1.59   0.007% *  0.0579% (0.58   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.02 +/- 1.51   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  22.33 +/- 1.96   0.000% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.55 +/- 1.78   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  21.87 +/- 1.49   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  23.52 +/- 3.01   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  28.18 +/- 2.92   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 = 0.815, support = 1.72, residual support = 7.12:
          QD2   LEU   80 - HB    VAL   24   3.51 +/- 2.37  63.971% * 57.8924% (0.80   1.88   8.89) =  77.475%  kept
          QG1   VAL   83 - HB    VAL   24   4.71 +/- 2.95  28.327% * 37.9306% (0.87   1.14   1.02) =  22.477%  kept
          QD1   LEU   73 - HB    VAL   24   8.48 +/- 1.27   5.106% *  0.3154% (0.41   0.02   0.02) =   0.034%
          QD1   LEU   63 - HB2   PRO   68  10.70 +/- 1.43   1.201% *  0.1866% (0.24   0.02   0.02) =   0.005%
          QD1   LEU  104 - HB2   PRO   68  11.91 +/- 2.00   0.259% *  0.4380% (0.57   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB2   PRO   68  14.62 +/- 1.98   0.296% *  0.3468% (0.45   0.02   0.02) =   0.002%
          QG2   ILE   89 - HB    VAL   24  11.18 +/- 1.39   0.366% *  0.1913% (0.25   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB2   PRO   68  13.74 +/- 0.66   0.349% *  0.1866% (0.24   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB    VAL   24  20.71 +/- 2.82   0.045% *  0.5863% (0.76   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB    VAL   24  19.29 +/- 1.79   0.032% *  0.7404% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   24  17.30 +/- 1.60   0.038% *  0.3154% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  21.35 +/- 1.58   0.005% *  0.3634% (0.47   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  23.07 +/- 2.44   0.002% *  0.3937% (0.51   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  22.73 +/- 1.73   0.004% *  0.1132% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 2 structures by 0.54 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.888, support = 3.99, residual support = 64.8:
      O T HA    VAL   24 - HB    VAL   24   2.63 +/- 0.23  90.786% * 89.0301% (0.90  10.0 10.00   3.97  65.16) =  98.842%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.90 +/- 0.09   9.210% * 10.2842% (0.10  10.0  1.00   5.46  35.75) =   1.158%  kept
          HA    LYS+  38 - HB2   PRO   68  14.88 +/- 1.29   0.003% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  24.12 +/- 1.60   0.000% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.71 +/- 0.96   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  24.95 +/- 1.98   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 = 3.23, residual support = 65.2:
      O T HB    VAL   24 - QG1   VAL   24   2.11 +/- 0.02  99.985% * 98.6521% (0.92  10.0 10.00   3.23  65.16) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24   9.44 +/- 0.58   0.014% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  22.25 +/- 1.71   0.000% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  18.03 +/- 1.80   0.000% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  18.71 +/- 2.52   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  18.66 +/- 1.31   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  21.86 +/- 2.10   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  24.77 +/- 3.53   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 = 0.335, support = 5.79, residual support = 32.2:
      O   HN    ASN   69 - HB2   PRO   68   3.46 +/- 0.86  54.099% * 43.9608% (0.20  10.0   5.85  31.85) =  61.250%  kept
          HN    GLU-  25 - HB    VAL   24   3.63 +/- 0.45  42.516% * 33.6744% (0.53   1.0   5.88  33.88) =  36.873%  kept
          HN    ASN   28 - HB    VAL   24   5.52 +/- 0.47   3.327% * 21.9074% (0.92   1.0   2.18  13.04) =   1.877%  kept
          HN    ASP-  44 - HB    VAL   24  12.03 +/- 1.62   0.053% *  0.1233% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  17.06 +/- 0.56   0.004% *  0.0730% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.64 +/- 1.25   0.001% *  0.1190% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  24.42 +/- 1.49   0.001% *  0.0743% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  26.23 +/- 1.40   0.000% *  0.0678% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 65.2:
      O   HN    VAL   24 - HB    VAL   24   2.35 +/- 0.36 100.000% * 99.9409% (0.38  10.0   4.68  65.16) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  26.16 +/- 1.49   0.000% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.09, residual support = 65.2:
          HN    VAL   24 - QG1   VAL   24   2.47 +/- 0.56 100.000% *100.0000% (0.73   4.09  65.16) = 100.000%  kept
    Distance limit 3.12 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.99, residual support = 125.3:
      O   HN    GLU-  25 - HB2   GLU-  25   2.63 +/- 0.48  98.380% * 99.5455% (0.41  10.0   5.99 125.28) =  99.996%  kept
          HN    ASN   28 - HB2   GLU-  25   5.66 +/- 0.12   1.616% *  0.2373% (0.98   1.0   0.02   2.71) =   0.004%
          HN    ASP-  44 - HB2   GLU-  25  14.98 +/- 0.95   0.005% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  24.45 +/- 0.88   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 = 0.409, support = 5.82, residual support = 124.7:
      O   HN    GLU-  25 - HB3   GLU-  25   2.90 +/- 0.71  96.573% * 87.5872% (0.41  10.0   5.85 125.28) =  99.508%  kept
          HN    ASN   28 - HB3   GLU-  25   5.68 +/- 0.15   3.419% * 12.2217% (0.98   1.0   1.17   2.71) =   0.492%
          HN    ASP-  44 - HB3   GLU-  25  15.26 +/- 0.98   0.008% *  0.0955% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.57 +/- 0.88   0.001% *  0.0955% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.27, residual support = 27.7:
          HN    THR   26 - HB3   GLU-  25   3.14 +/- 0.17  99.998% * 98.7479% (0.34   5.27  27.67) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  18.74 +/- 0.79   0.002% *  0.8397% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  31.85 +/- 1.35   0.000% *  0.4124% (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 = 2.95:
          HN    SER   85 - HA    SER   82   3.56 +/- 0.19  98.341% * 92.1173% (0.26   2.96   2.96) =  99.982%  kept
          HN    GLN   32 - HA    GLU-  25   8.71 +/- 0.36   0.501% *  2.4019% (1.00   0.02   0.02) =   0.013%
          HN    LEU   80 - HA    SER   82   7.75 +/- 0.17   0.956% *  0.2401% (0.10   0.02   0.19) =   0.003%
          HN    LEU   80 - HA    GLU-  25  11.59 +/- 1.74   0.107% *  0.7413% (0.31   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    GLU-  25  12.40 +/- 0.35   0.060% *  0.9874% (0.41   0.02   0.02) =   0.001%
          HN    SER   85 - HA    GLU-  25  15.18 +/- 2.76   0.023% *  1.9233% (0.80   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   82  20.11 +/- 3.68   0.004% *  0.7781% (0.32   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  19.06 +/- 1.55   0.006% *  0.1201% (0.05   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  22.96 +/- 3.20   0.002% *  0.3199% (0.13   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  24.85 +/- 1.38   0.001% *  0.3706% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.44, support = 5.64, residual support = 119.0:
      O   HN    GLU-  25 - HA    GLU-  25   2.71 +/- 0.02  86.572% * 73.9831% (0.41  10.0   5.79 125.28) =  94.895%  kept
          HN    ASN   28 - HA    GLU-  25   3.72 +/- 0.16  13.396% * 25.7221% (0.98   1.0   2.92   2.71) =   5.105%  kept
          HN    GLU-  25 - HA    SER   82  12.15 +/- 3.11   0.018% *  0.0240% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HA    SER   82  14.26 +/- 3.36   0.007% *  0.0571% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    GLU-  25  14.17 +/- 0.79   0.004% *  0.0807% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  16.43 +/- 1.67   0.002% *  0.0261% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  23.72 +/- 0.81   0.000% *  0.0807% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  30.80 +/- 1.66   0.000% *  0.0261% (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 = 0.31, support = 4.22, residual support = 8.71:
          HN    ALA   84 - HA    SER   82   4.19 +/- 0.11  64.879% * 54.7144% (0.20   5.35  11.01) =  72.336%  kept
          HD21  ASN   28 - HA    GLU-  25   4.67 +/- 0.14  33.875% * 40.0672% (0.61   1.27   2.71) =  27.658%  kept
          HZ2   TRP   87 - HA    GLU-  25  12.10 +/- 3.08   0.314% *  0.4282% (0.41   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HA    SER   82   9.78 +/- 0.68   0.447% *  0.1387% (0.13   0.02   0.02) =   0.001%
          HN    ALA   84 - HA    GLU-  25  13.47 +/- 2.47   0.083% *  0.6318% (0.61   0.02   0.02) =   0.001%
          HE21  GLN   32 - HA    GLU-  25  11.37 +/- 0.96   0.184% *  0.2319% (0.22   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    SER   82  12.88 +/- 3.66   0.207% *  0.2047% (0.20   0.02   0.02) =   0.001%
          HN    LEU   63 - HA    GLU-  25  24.05 +/- 0.91   0.002% *  1.0325% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  25.76 +/- 1.03   0.001% *  0.9854% (0.95   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  22.18 +/- 1.49   0.003% *  0.3192% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  28.03 +/- 2.30   0.001% *  0.6318% (0.61   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  23.96 +/- 2.36   0.002% *  0.2047% (0.20   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  26.20 +/- 1.32   0.001% *  0.3345% (0.32   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  23.93 +/- 3.60   0.003% *  0.0751% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.991, support = 0.75, residual support = 2.71:
          HB2   ASN   28 - HA    GLU-  25   3.36 +/- 0.31  97.659% * 86.9739% (0.99   0.75   2.71) =  99.982%  kept
          HB2   ASP-  86 - HA    SER   82   6.89 +/- 0.74   1.962% *  0.5504% (0.24   0.02   0.02) =   0.013%
          QE    LYS+  33 - HA    GLU-  25  11.73 +/- 1.84   0.104% *  2.3348% (1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HA    GLU-  25  14.01 +/- 3.02   0.031% *  1.6992% (0.73   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    SER   82  11.11 +/- 0.77   0.095% *  0.4598% (0.20   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    GLU-  25  14.09 +/- 0.65   0.021% *  0.8782% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    GLU-  25  13.18 +/- 1.05   0.034% *  0.4631% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    SER   82  15.42 +/- 3.62   0.019% *  0.7513% (0.32   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  16.89 +/- 1.17   0.008% *  1.4193% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  11.79 +/- 0.49   0.063% *  0.1500% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  23.48 +/- 1.56   0.001% *  2.1601% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  22.29 +/- 3.17   0.002% *  0.7563% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  26.44 +/- 1.41   0.001% *  0.6997% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  23.39 +/- 1.09   0.001% *  0.3167% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  24.66 +/- 3.45   0.001% *  0.2845% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  31.61 +/- 1.88   0.000% *  0.1026% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.321, support = 2.81, residual support = 11.0:
          QB    ALA   84 - HA    SER   82   4.48 +/- 0.19  82.211% * 79.1605% (0.32   2.82  11.01) =  99.898%  kept
          HB3   LEU   80 - HA    SER   82   6.13 +/- 0.39  14.024% *  0.2760% (0.16   0.02   0.19) =   0.059%
          HB2   LEU   31 - HA    GLU-  25   8.72 +/- 0.40   1.563% *  0.5972% (0.34   0.02   0.02) =   0.014%
          HB3   LEU   80 - HA    GLU-  25  10.20 +/- 2.64   1.085% *  0.8521% (0.49   0.02   0.02) =   0.014%
          QB    ALA   84 - HA    GLU-  25  13.01 +/- 1.63   0.170% *  1.7352% (0.99   0.02   0.02) =   0.005%
          HB3   LEU   73 - HA    GLU-  25  11.39 +/- 0.78   0.342% *  0.7197% (0.41   0.02   0.02) =   0.004%
          HG3   LYS+  33 - HA    GLU-  25  12.16 +/- 1.81   0.313% *  0.4868% (0.28   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    GLU-  25  16.39 +/- 1.89   0.045% *  1.6561% (0.95   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    GLU-  25  16.99 +/- 1.21   0.032% *  1.2713% (0.73   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    GLU-  25  16.63 +/- 0.79   0.034% *  0.5972% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    SER   82  17.64 +/- 1.12   0.025% *  0.4118% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  25  22.22 +/- 0.94   0.006% *  1.7468% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    SER   82  18.58 +/- 0.89   0.017% *  0.5659% (0.32   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    GLU-  25  21.79 +/- 1.93   0.008% *  1.1325% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    SER   82  17.30 +/- 1.72   0.030% *  0.2331% (0.13   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    SER   82  20.84 +/- 3.35   0.012% *  0.5365% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    GLU-  25  21.32 +/- 2.43   0.008% *  0.7849% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    SER   82  18.44 +/- 3.71   0.028% *  0.1934% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU-  25  22.76 +/- 1.19   0.005% *  1.0618% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    SER   82  22.17 +/- 3.25   0.009% *  0.3669% (0.21   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU-  25  27.53 +/- 2.35   0.002% *  1.5186% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    GLU-  25  25.41 +/- 1.21   0.003% *  0.5972% (0.34   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    SER   82  22.01 +/- 2.07   0.007% *  0.1934% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    SER   82  25.12 +/- 1.71   0.003% *  0.3440% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    SER   82  26.28 +/- 4.21   0.003% *  0.2543% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    SER   82  23.70 +/- 3.41   0.005% *  0.1577% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  25  32.06 +/- 1.74   0.001% *  0.9211% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    SER   82  28.64 +/- 2.33   0.002% *  0.2984% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    SER   82  25.76 +/- 2.57   0.003% *  0.1577% (0.09   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU-  25  30.49 +/- 2.27   0.001% *  0.4868% (0.28   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    SER   82  31.36 +/- 1.59   0.001% *  0.4919% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    SER   82  28.91 +/- 1.30   0.001% *  0.1934% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 14 structures by 0.98 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.606, support = 0.0199, residual support = 0.0199:
          QG2   VAL  108 - HA    GLU-  25  18.66 +/- 1.84  17.897% * 22.9376% (0.92   0.02   0.02) =  37.453%  kept
          QG2   VAL  108 - HA    SER   82  15.98 +/- 2.51  48.677% *  7.4304% (0.30   0.02   0.02) =  32.999%  kept
          HB2   LEU  104 - HA    GLU-  25  22.28 +/- 1.22   6.480% * 19.8967% (0.80   0.02   0.02) =  11.763%  kept
          QD1   ILE  119 - HA    GLU-  25  21.98 +/- 2.01   8.469% * 12.0948% (0.49   0.02   0.02) =   9.346%  kept
          HG    LEU   63 - HA    GLU-  25  23.85 +/- 1.46   4.803% *  5.5320% (0.22   0.02   0.02) =   2.424%  kept
          QD1   ILE  119 - HA    SER   82  22.83 +/- 1.18   5.528% *  3.9180% (0.16   0.02   0.02) =   1.976%  kept
          HB2   LEU  104 - HA    SER   82  26.04 +/- 2.87   2.710% *  6.4453% (0.26   0.02   0.02) =   1.594%  kept
          HG3   LYS+ 112 - HA    GLU-  25  31.47 +/- 2.35   0.885% * 15.0711% (0.61   0.02   0.02) =   1.218%  kept
          HG3   LYS+ 112 - HA    SER   82  27.89 +/- 2.37   1.714% *  4.8821% (0.20   0.02   0.02) =   0.763%  kept
          HG    LEU   63 - HA    SER   82  25.99 +/- 1.99   2.837% *  1.7920% (0.07   0.02   0.02) =   0.464%
    Distance limit 3.87 A violated in 20 structures by 10.10 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.237, support = 1.5, residual support = 5.77:
          HB2   GLU-  29 - HA    THR   26   2.33 +/- 0.35  96.644% * 13.9945% (0.22   0.99   1.43) =  83.454%  kept
          HB2   GLU-  25 - HA    THR   26   4.37 +/- 0.43   3.347% * 80.1031% (0.31   4.07  27.67) =  16.545%  kept
          HB3   ASP-  76 - HA    THR   26  13.46 +/- 0.95   0.004% *  1.1425% (0.90   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  15.45 +/- 0.83   0.002% *  1.1425% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  15.09 +/- 1.48   0.002% *  0.5237% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  18.61 +/- 1.33   0.001% *  1.2051% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  18.15 +/- 0.66   0.001% *  0.6201% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  23.87 +/- 0.86   0.000% *  0.8751% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  24.87 +/- 1.28   0.000% *  0.3932% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.19, residual support = 34.7:
      O   HN    THR   26 - HA    THR   26   2.84 +/- 0.02  99.995% * 99.6670% (0.34  10.0   4.19  34.67) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  14.87 +/- 0.65   0.005% *  0.2233% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  29.94 +/- 0.93   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 = 0.526, support = 1.33, residual support = 3.77:
          HN    GLN   30 - HA    THR   26   4.04 +/- 0.25  28.375% * 78.4843% (0.69   1.52   5.01) =  65.303%  kept
          HN    GLU-  29 - HA    THR   26   3.43 +/- 0.16  71.608% * 16.5235% (0.22   0.99   1.43) =  34.696%  kept
          HN    GLU-  14 - HA    THR   26  16.78 +/- 1.87   0.007% *  1.4744% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  17.63 +/- 2.68   0.005% *  0.9123% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  18.77 +/- 0.83   0.003% *  1.2564% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  22.15 +/- 2.04   0.001% *  1.3490% (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 = 0.384, support = 2.22, residual support = 13.8:
          HN    THR   23 - HB    THR   26   3.65 +/- 0.21  96.368% * 68.5169% (0.38   2.24  14.05) =  98.550%  kept
          HD2   HIS   22 - HB    THR   26   6.96 +/- 0.99   3.602% * 26.9536% (0.99   0.33   0.02) =   1.449%  kept
          HD21  ASN   35 - HB    THR   26  16.17 +/- 0.74   0.014% *  1.1178% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  20.49 +/- 1.32   0.004% *  1.6129% (0.99   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  17.20 +/- 0.69   0.009% *  0.5551% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  21.04 +/- 1.01   0.003% *  1.2437% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 22.2:
          HN    TRP   27 - HB    THR   26   3.38 +/- 0.20  99.958% * 98.0787% (0.84   4.44  22.20) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  16.33 +/- 1.99   0.010% *  0.4588% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  15.12 +/- 0.49   0.013% *  0.2574% (0.49   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  17.11 +/- 0.53   0.006% *  0.4743% (0.90   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  19.61 +/- 1.26   0.003% *  0.2174% (0.41   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  20.60 +/- 0.94   0.002% *  0.2574% (0.49   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  18.73 +/- 2.34   0.005% *  0.0926% (0.18   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  21.54 +/- 2.22   0.002% *  0.1632% (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 = 34.7:
      O   HN    THR   26 - HB    THR   26   2.01 +/- 0.06 100.000% * 99.9615% (0.80  10.0   4.16  34.67) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.96 +/- 0.86   0.000% *  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 = 0.184, support = 0.746, residual support = 2.7:
          HA    CYS   21 - QG2   THR   26   2.15 +/- 0.40  99.566% * 23.7367% (0.18   0.75   2.74) =  98.718%  kept
          HA    ALA   20 - QG2   THR   26   5.51 +/- 0.38   0.414% * 74.0852% (0.87   0.47   0.02) =   1.281%  kept
          HA    LEU   71 - QG2   THR   26  10.01 +/- 0.82   0.019% *  0.5577% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QG2   THR   26  16.93 +/- 1.26   0.001% *  1.6204% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.863, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  11.79 +/- 1.24  57.974% * 18.7520% (0.92   0.02   0.02) =  68.963%  kept
          HG2   MET   11 - QG2   THR   26  18.26 +/- 3.35   8.347% * 19.2160% (0.95   0.02   0.02) =  10.175%  kept
          HB2   PRO   93 - QG2   THR   26  15.87 +/- 1.04  11.089% * 12.3210% (0.61   0.02   0.02) =   8.667%  kept
          HG3   PRO   52 - QG2   THR   26  19.64 +/- 1.85   3.405% * 17.6208% (0.87   0.02   0.02) =   3.806%  kept
          HG2   PRO   58 - QG2   THR   26  19.51 +/- 1.12   3.381% * 17.6208% (0.87   0.02   0.02) =   3.780%  kept
          HB2   ARG+  54 - QG2   THR   26  19.45 +/- 1.71   4.346% *  6.2698% (0.31   0.02   0.02) =   1.728%  kept
          HB    VAL  108 - QG2   THR   26  18.22 +/- 1.57   4.919% *  5.0653% (0.25   0.02   0.02) =   1.581%  kept
          HB2   PRO   68 - QG2   THR   26  17.37 +/- 1.39   6.539% *  3.1343% (0.15   0.02   0.02) =   1.300%  kept
    Distance limit 3.38 A violated in 20 structures by 7.33 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.75, residual support = 5.01:
        T HG2   GLN   30 - QG2   THR   26   2.72 +/- 0.51  99.610% * 99.5048% (0.99 10.00   0.75   5.01) =  99.999%  kept
          HB3   ASN   28 - QG2   THR   26   7.38 +/- 0.16   0.387% *  0.2584% (0.97  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QG2   THR   26  19.44 +/- 1.34   0.001% *  0.1624% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  18.50 +/- 1.56   0.002% *  0.0744% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.918, support = 3.83, residual support = 15.4:
          QD1   LEU   73 - HB3   TRP   27   3.88 +/- 1.36  50.295% * 57.3972% (1.00   3.98  18.63) =  59.020%  kept
          QD2   LEU   80 - HB3   TRP   27   4.60 +/- 2.91  48.069% * 41.6967% (0.80   3.61  10.87) =  40.978%  kept
          QG1   VAL   83 - HB3   TRP   27   7.01 +/- 3.20   1.617% *  0.0505% (0.18   0.02   0.81) =   0.002%
          QD1   LEU   63 - HB3   TRP   27  13.49 +/- 1.19   0.008% *  0.2883% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  14.66 +/- 1.37   0.006% *  0.1632% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  17.57 +/- 2.51   0.002% *  0.2408% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  16.08 +/- 1.41   0.003% *  0.1632% (0.57   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 = 22.7:
        T HA    VAL   24 - HB3   TRP   27   3.26 +/- 0.29  99.842% * 98.5200% (0.76 10.00   3.00  22.72) = 100.000%  kept
        T HA    LYS+  38 - HB3   TRP   27  16.78 +/- 0.87   0.007% *  1.2636% (0.98 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   TRP   27  10.95 +/- 3.40   0.142% *  0.0174% (0.14  1.00   0.02   0.81) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  16.47 +/- 1.67   0.009% *  0.1989% (0.15 10.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 22.7:
          HA    VAL   24 - HB2   TRP   27   1.98 +/- 0.13  99.999% * 99.1878% (0.97   3.00  22.72) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  17.00 +/- 0.60   0.000% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  17.38 +/- 1.41   0.000% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  20.83 +/- 1.58   0.000% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.946, support = 3.84, residual support = 13.7:
          QD2   LEU   80 - HB2   TRP   27   4.39 +/- 2.73  58.710% * 48.4296% (0.98   3.72  10.87) =  62.269%  kept
          QD1   LEU   73 - HB2   TRP   27   4.84 +/- 1.10  35.331% * 48.3613% (0.90   4.06  18.63) =  37.419%  kept
          QG1   VAL   83 - HB2   TRP   27   6.38 +/- 3.17   5.913% *  2.4046% (0.38   0.48   0.81) =   0.311%
          QD1   LEU   63 - HB2   TRP   27  14.63 +/- 1.15   0.018% *  0.2380% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  16.57 +/- 1.31   0.009% *  0.2216% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  18.64 +/- 2.54   0.007% *  0.2630% (0.99   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  15.78 +/- 1.32   0.012% *  0.0819% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.19, residual support = 17.9:
          QD1   LEU   31 - HA    ASN   28   2.67 +/- 0.79 100.000% *100.0000% (0.76   3.19  17.86) = 100.000%  kept
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.19, residual support = 93.6:
      O T HA    GLU-  29 - HG3   GLU-  29   3.49 +/- 0.12  99.693% * 97.0747% (0.22  10.0 10.00   5.19  93.61) =  99.996%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.74 +/- 0.87   0.255% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          HB2   SER   37 - HG3   GLU-  29  15.54 +/- 0.93   0.014% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  18.37 +/- 0.99   0.005% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  15.84 +/- 3.61   0.018% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  16.43 +/- 0.94   0.011% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  20.43 +/- 1.18   0.003% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  30.12 +/- 1.89   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 = 106.6:
      O   HD1   TRP   27 - HB2   TRP   27   3.17 +/- 0.55  99.236% * 99.7286% (0.98  10.0   3.66 106.57) =  99.999%  kept
          HE21  GLN   30 - HB2   TRP   27   8.13 +/- 1.28   0.755% *  0.0939% (0.92   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   TRP   27  17.04 +/- 1.33   0.008% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  20.60 +/- 1.70   0.002% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.32, residual support = 106.6:
      O   HN    TRP   27 - HB2   TRP   27   2.19 +/- 0.11  99.987% * 99.5184% (0.76  10.0   5.32 106.57) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27  11.89 +/- 2.55   0.007% *  0.1202% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.22 +/- 0.22   0.001% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   TRP   27  15.70 +/- 0.64   0.001% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  13.81 +/- 2.80   0.003% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  16.97 +/- 1.10   0.001% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.63 +/- 2.47   0.000% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  17.98 +/- 1.38   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 = 5.59, residual support = 52.4:
          HN    ASN   28 - HB2   TRP   27   2.70 +/- 0.15  96.292% * 99.5642% (0.92   5.59  52.40) =  99.998%  kept
          HN    GLU-  25 - HB2   TRP   27   4.70 +/- 0.07   3.608% *  0.0595% (0.15   0.02   0.16) =   0.002%
          HN    ASP-  44 - HB2   TRP   27   9.08 +/- 0.99   0.099% *  0.0675% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  20.17 +/- 1.24   0.001% *  0.3087% (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 = 0.769, support = 4.45, residual support = 104.1:
      O   HE3   TRP   27 - HB3   TRP   27   3.10 +/- 0.23  86.401% * 85.9826% (0.76  10.0   4.50 106.57) =  97.679%  kept
          HN    THR   23 - HB3   TRP   27   4.52 +/- 0.60  12.912% * 13.6712% (0.98   1.0   2.48   1.56) =   2.321%  kept
          HD2   HIS   22 - HB3   TRP   27   7.25 +/- 0.65   0.663% *  0.0250% (0.22   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  13.12 +/- 0.97   0.018% *  0.1115% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  18.22 +/- 1.19   0.002% *  0.0773% (0.69   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  20.77 +/- 1.56   0.001% *  0.0940% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  18.09 +/- 1.26   0.003% *  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 = 106.6:
      O   HD1   TRP   27 - HB3   TRP   27   3.51 +/- 0.14  96.248% * 99.7286% (0.98  10.0   4.09 106.57) =  99.996%  kept
          HE21  GLN   30 - HB3   TRP   27   7.01 +/- 1.42   3.735% *  0.0939% (0.92   1.0   0.02   0.02) =   0.004%
          QD    PHE   59 - HB3   TRP   27  15.77 +/- 1.38   0.014% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  20.07 +/- 1.81   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 = 5.64, residual support = 106.6:
      O   HN    TRP   27 - HB3   TRP   27   2.80 +/- 0.17  99.944% * 99.5184% (0.76  10.0   5.64 106.57) = 100.000%  kept
          HD1   TRP   87 - HB3   TRP   27  12.03 +/- 2.70   0.026% *  0.1202% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   TRP   27  15.24 +/- 0.91   0.005% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  14.26 +/- 0.35   0.006% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  16.38 +/- 1.40   0.004% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  14.24 +/- 2.87   0.010% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  17.53 +/- 2.61   0.003% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  16.58 +/- 1.24   0.003% *  0.0535% (0.41   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 = 6.07, residual support = 52.4:
          HN    ASN   28 - HB3   TRP   27   4.02 +/- 0.07  99.989% * 99.4978% (0.65   6.07  52.40) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  18.96 +/- 1.47   0.011% *  0.5022% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.79, residual support = 17.9:
          HN    LEU   31 - HA    ASN   28   3.24 +/- 0.16  99.937% * 95.3886% (0.22   3.79  17.86) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.91 +/- 0.32   0.026% *  2.2158% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  12.23 +/- 0.26   0.035% *  0.3959% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  24.12 +/- 0.99   0.001% *  1.3711% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  21.49 +/- 0.78   0.001% *  0.6285% (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 = 4.5, residual support = 8.2:
          HN    GLN   30 - HA    ASN   28   3.81 +/- 0.14  99.329% * 93.4994% (0.18   4.50   8.21) =  99.995%  kept
          HN    ASN   35 - HA    ASN   28   8.99 +/- 0.31   0.597% *  0.5283% (0.22   0.02   0.02) =   0.003%
          HN    LYS+  99 - HA    ASN   28  13.66 +/- 1.23   0.057% *  2.1906% (0.92   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASN   28  18.98 +/- 3.09   0.011% *  2.0585% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASN   28  19.66 +/- 1.89   0.007% *  1.7232% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.91, residual support = 105.8:
      O   HN    ASN   28 - HB2   ASN   28   2.65 +/- 0.22  99.983% * 99.7686% (0.65  10.0   6.91 105.79) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  11.87 +/- 0.75   0.015% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  16.59 +/- 1.09   0.002% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  21.61 +/- 0.78   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 = 4.18, residual support = 105.8:
      O   HD22  ASN   28 - HB3   ASN   28   3.55 +/- 0.50  99.987% * 99.9746% (0.98  10.0   4.18 105.79) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  16.77 +/- 0.59   0.013% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.59, residual support = 105.8:
      O   HD21  ASN   28 - HB3   ASN   28   3.62 +/- 0.31  99.370% * 99.7595% (0.87  10.0   3.59 105.79) =  99.999%  kept
          HZ2   TRP   87 - HB3   ASN   28  11.02 +/- 4.05   0.608% *  0.1127% (0.98   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB3   ASN   28  15.48 +/- 1.16   0.019% *  0.0790% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  22.80 +/- 0.66   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  25.57 +/- 0.99   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.5, support = 5.47, residual support = 32.3:
          HN    GLU-  29 - HB3   ASN   28   3.49 +/- 0.30  89.985% * 47.2640% (0.45   5.76  35.16) =  89.200%  kept
          HN    GLN   30 - HB3   ASN   28   5.08 +/- 0.12   9.964% * 51.6808% (0.92   3.06   8.21) =  10.800%  kept
          HN    ASP-  86 - HB3   ASN   28  14.99 +/- 3.64   0.030% *  0.3177% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASN   28  15.23 +/- 1.19   0.016% *  0.2073% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  21.15 +/- 1.89   0.003% *  0.2932% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  21.21 +/- 3.15   0.003% *  0.2369% (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 = 6.61, residual support = 105.8:
      O   HN    ASN   28 - HB3   ASN   28   3.52 +/- 0.01  98.186% * 99.8777% (0.92  10.0   6.61 105.79) = 100.000%  kept
          HN    GLU-  25 - HB3   ASN   28   6.92 +/- 0.30   1.775% *  0.0167% (0.15   1.0   0.02   2.71) =   0.000%
          HN    ASP-  44 - HB3   ASN   28  13.16 +/- 0.62   0.038% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  21.41 +/- 0.80   0.002% *  0.0866% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.372, support = 0.0199, residual support = 8.1:
          HN    GLN   30 - HB2   ASN   28   4.49 +/- 0.05  97.854% *  7.8959% (0.38   0.02   8.21) =  98.701%  kept
          HN    LYS+  99 - HB2   ASN   35  10.37 +/- 0.76   0.725% *  6.5298% (0.31   0.02   0.02) =   0.605%  kept
          HN    GLN   30 - HB2   ASN   35   9.59 +/- 0.78   1.177% *  2.4562% (0.12   0.02   0.02) =   0.369%
          HN    LYS+  99 - HB2   ASN   28  16.39 +/- 1.13   0.046% * 20.9915% (1.00   0.02   0.02) =   0.122%
          HN    ASP-  86 - HB2   ASN   28  15.24 +/- 3.43   0.099% *  6.4934% (0.31   0.02   0.02) =   0.082%
          HE1   HIS  122 - HB2   ASN   35  17.98 +/- 3.54   0.045% *  6.5298% (0.31   0.02   0.02) =   0.038%
          HN    GLU-  14 - HB2   ASN   28  20.46 +/- 1.89   0.014% * 19.9013% (0.95   0.02   0.02) =   0.034%
          HE1   HIS  122 - HB2   ASN   28  21.81 +/- 2.99   0.011% * 20.9915% (1.00   0.02   0.02) =   0.029%
          HN    GLU-  14 - HB2   ASN   35  18.88 +/- 2.15   0.023% *  6.1907% (0.29   0.02   0.02) =   0.018%
          HN    ASP-  86 - HB2   ASN   35  22.92 +/- 3.59   0.007% *  2.0199% (0.10   0.02   0.02) =   0.002%
    Distance limit 3.15 A violated in 20 structures by 1.33 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.77, residual support = 105.8:
      O   HD21  ASN   28 - HB2   ASN   28   3.59 +/- 0.54  99.522% * 99.5979% (0.61  10.0   3.77 105.79) =  99.999%  kept
          HZ2   TRP   87 - HB2   ASN   28  11.54 +/- 3.82   0.353% *  0.1315% (0.80   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   28  15.30 +/- 1.17   0.023% *  0.1516% (0.92   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASN   35  12.39 +/- 1.25   0.072% *  0.0310% (0.19   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  17.57 +/- 4.50   0.019% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  17.16 +/- 1.67   0.012% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 5.42, residual support = 19.5:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.01  96.763% * 98.9280% (0.49  10.0   5.42  19.48) =  99.999%  kept
          HN    GLN   30 - HA    GLN   32   6.70 +/- 0.14   1.996% *  0.0222% (0.11   1.0   0.02   1.58) =   0.000%
          HN    GLN   30 - HA    LYS+  33   7.54 +/- 0.48   1.062% *  0.0271% (0.13   1.0   0.02   0.16) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.09 +/- 0.92   0.066% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  15.98 +/- 0.89   0.011% *  0.1961% (0.96   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.02 +/- 2.21   0.038% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.79 +/- 1.98   0.008% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.79 +/- 0.55   0.027% *  0.0538% (0.26   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  21.38 +/- 2.75   0.003% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  18.85 +/- 3.33   0.005% *  0.0836% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  18.77 +/- 2.64   0.006% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.20 +/- 2.17   0.007% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  18.95 +/- 3.18   0.006% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  20.91 +/- 3.96   0.003% *  0.0187% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  24.06 +/- 3.58   0.001% *  0.0229% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.453, support = 5.31, residual support = 87.2:
      O   HN    GLU-  29 - HB2   GLU-  29   2.30 +/- 0.11  87.415% * 60.2150% (0.41  10.0   5.25  93.61) =  91.401%  kept
          HN    GLN   30 - HB2   GLU-  29   3.22 +/- 0.13  12.584% * 39.3509% (0.90   1.0   5.99  19.48) =   8.599%  kept
          HN    GLU-  14 - HB2   GLU-  29  16.85 +/- 1.90   0.001% *  0.1223% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  18.47 +/- 2.98   0.000% *  0.1223% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  17.79 +/- 0.86   0.000% *  0.0888% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  22.02 +/- 2.33   0.000% *  0.1006% (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 = 0.512, support = 5.27, residual support = 78.2:
      O   HN    GLU-  29 - HB3   GLU-  29   3.51 +/- 0.05  65.138% * 66.3890% (0.41  10.0   5.46  93.61) =  79.241%  kept
          HN    GLN   30 - HB3   GLU-  29   3.91 +/- 0.15  34.415% * 32.9186% (0.90   1.0   4.55  19.48) =  20.759%  kept
          HN    GLN   30 - QB    GLU-  36   8.97 +/- 0.43   0.243% *  0.0449% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.04 +/- 0.62   0.129% *  0.0206% (0.13   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  16.25 +/- 2.03   0.010% *  0.1349% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  13.66 +/- 2.01   0.027% *  0.0418% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  13.09 +/- 0.51   0.025% *  0.0303% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  17.73 +/- 0.77   0.004% *  0.0979% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  19.98 +/- 3.04   0.002% *  0.1349% (0.84   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  18.09 +/- 2.63   0.005% *  0.0344% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  22.19 +/- 2.28   0.001% *  0.1109% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  23.45 +/- 3.34   0.001% *  0.0418% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.896, support = 4.3, residual support = 92.9:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.87 +/- 0.08  27.602% * 95.1378% (0.99  10.0 10.00   4.30  93.61) =  90.019%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.44 +/- 0.08  72.347% *  4.0244% (0.04  10.0 10.00   4.29  86.76) =   9.981%  kept
        T HG2   GLU-  29 - QB    GLU-  36   9.27 +/- 0.88   0.029% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  10.00 +/- 1.10   0.019% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  18.71 +/- 3.33   0.001% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  18.87 +/- 0.57   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  17.89 +/- 1.25   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  16.87 +/- 1.21   0.001% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  21.85 +/- 3.77   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  25.42 +/- 1.28   0.000% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.37 +/- 0.81   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  28.13 +/- 2.81   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  23.41 +/- 0.72   0.000% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.77 +/- 0.72   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  26.54 +/- 2.71   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.14 +/- 0.61   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 = 0.16, residual support = 0.16:
          QD    LYS+  33 - HA    GLN   30   3.77 +/- 0.88  99.905% * 71.1265% (0.95   0.16   0.16) =  99.994%  kept
          HD2   LYS+  74 - HA    GLN   30  13.94 +/- 0.88   0.075% *  3.5236% (0.38   0.02   0.02) =   0.004%
          QB    ALA   57 - HA    GLN   30  18.93 +/- 1.10   0.014% *  6.4490% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    GLN   30  25.49 +/- 2.81   0.003% *  8.8811% (0.95   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   30  26.11 +/- 2.33   0.002% *  3.2025% (0.34   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    GLN   30  30.82 +/- 1.38   0.001% *  6.8174% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 2 structures by 0.37 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.153, support = 0.0199, residual support = 0.0199:
          QD1   LEU   71 - HA    GLN   30   5.27 +/- 1.28  99.753% *  8.2693% (0.15   0.02   0.02) =  99.297%  kept
          QD2   LEU  123 - HA    GLN   30  21.48 +/- 2.67   0.061% * 48.0646% (0.90   0.02   0.02) =   0.356%
          HB3   LEU  104 - HA    GLN   30  19.08 +/- 0.67   0.089% * 22.0331% (0.41   0.02   0.02) =   0.235%
          QD1   LEU  123 - HA    GLN   30  19.97 +/- 1.83   0.070% *  8.2693% (0.15   0.02   0.02) =   0.070%
          HG3   LYS+ 121 - HA    GLN   30  23.15 +/- 1.30   0.027% * 13.3638% (0.25   0.02   0.02) =   0.043%
    Distance limit 3.91 A violated in 12 structures by 1.40 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 = 154.1:
      O   HN    GLN   30 - HA    GLN   30   2.83 +/- 0.02  97.560% * 99.6773% (0.98  10.0   6.22 154.11) =  99.999%  kept
          HN    GLU-  29 - HA    GLN   30   5.24 +/- 0.05   2.419% *  0.0576% (0.57   1.0   0.02  19.48) =   0.001%
          HN    GLU-  14 - HA    GLN   30  13.74 +/- 1.93   0.013% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  14.60 +/- 0.74   0.005% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  19.93 +/- 3.20   0.001% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  18.18 +/- 2.20   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 = 154.1:
      O   HN    GLN   30 - HB2   GLN   30   3.11 +/- 0.60  97.536% * 99.6773% (0.98  10.0   6.32 154.11) =  99.999%  kept
          HN    GLU-  29 - HB2   GLN   30   5.80 +/- 0.70   2.394% *  0.0576% (0.57   1.0   0.02  19.48) =   0.001%
          HN    GLU-  14 - HB2   GLN   30  14.30 +/- 2.04   0.036% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLN   30  13.56 +/- 0.76   0.021% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  18.19 +/- 2.93   0.005% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  16.49 +/- 2.02   0.008% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.54, residual support = 154.1:
      O   HN    GLN   30 - HB3   GLN   30   2.47 +/- 0.51  98.585% * 99.4549% (0.65  10.0   6.54 154.11) = 100.000%  kept
          HN    GLU-  29 - HB3   GLN   30   5.07 +/- 0.59   1.392% *  0.0304% (0.20   1.0   0.02  19.48) =   0.000%
          HN    LYS+  99 - HB3   GLN   30  13.89 +/- 1.15   0.011% *  0.1334% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLN   30  15.07 +/- 1.90   0.005% *  0.1524% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  17.06 +/- 2.49   0.005% *  0.1419% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  17.49 +/- 3.50   0.001% *  0.0870% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.642, support = 6.99, residual support = 152.8:
          HN    GLN   30 - HG2   GLN   30   3.27 +/- 0.32  95.222% * 82.3488% (0.65   7.01 154.11) =  99.019%  kept
          HN    GLU-  29 - HG2   GLN   30   5.40 +/- 0.37   4.728% * 16.4359% (0.20   4.58  19.48) =   0.981%  kept
          HN    GLU-  14 - HG2   GLN   30  13.78 +/- 1.80   0.033% *  0.3598% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  16.05 +/- 0.91   0.009% *  0.3149% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  18.50 +/- 2.02   0.005% *  0.3351% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  18.62 +/- 2.89   0.004% *  0.2055% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.06, residual support = 154.1:
      O   HE21  GLN   30 - HG2   GLN   30   3.80 +/- 0.20  94.021% * 99.6917% (0.87  10.0   4.06 154.11) =  99.993%  kept
          HD1   TRP   27 - HG2   GLN   30   6.94 +/- 1.43   5.965% *  0.1147% (1.00   1.0   0.02   0.02) =   0.007%
          QD    PHE   59 - HG2   GLN   30  17.32 +/- 1.19   0.013% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  24.94 +/- 1.83   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 2.72, residual support = 154.1:
      O   HE21  GLN   30 - HG3   GLN   30   3.86 +/- 0.47  89.325% * 99.5784% (0.87  10.0   2.72 154.11) =  99.993%  kept
          HD1   TRP   27 - HG3   GLN   30   7.57 +/- 1.80   4.529% *  0.1145% (1.00   1.0   0.02   0.02) =   0.006%
          QD    PHE   59 - HB2   PRO   93   6.75 +/- 1.03   4.952% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HB2   LYS+ 111   9.13 +/- 1.29   0.806% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   PRO   93  11.10 +/- 1.34   0.325% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  17.32 +/- 1.80   0.014% *  0.1145% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  17.45 +/- 1.91   0.016% *  0.0158% (0.14   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  16.81 +/- 0.84   0.017% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  25.55 +/- 2.01   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  18.08 +/- 1.60   0.011% *  0.0078% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.76 +/- 1.64   0.002% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  25.91 +/- 1.51   0.001% *  0.0200% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.643, support = 5.85, residual support = 152.9:
          HN    GLN   30 - HG3   GLN   30   3.61 +/- 0.43  94.863% * 83.5803% (0.65   5.88 154.11) =  99.103%  kept
          HN    GLU-  29 - HG3   GLN   30   5.89 +/- 0.55   4.968% * 14.4338% (0.20   3.32  19.48) =   0.896%  kept
          HN    GLU-  14 - HG3   GLN   30  13.20 +/- 1.80   0.070% *  0.4357% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   GLN   30  15.76 +/- 0.92   0.019% *  0.3813% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  18.14 +/- 1.97   0.009% *  0.4058% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  19.33 +/- 3.11   0.007% *  0.2489% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  17.04 +/- 1.15   0.011% *  0.0816% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  16.00 +/- 1.96   0.021% *  0.0316% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  16.03 +/- 0.68   0.015% *  0.0194% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  21.75 +/- 1.81   0.002% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.44 +/- 0.70   0.005% *  0.0297% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  23.23 +/- 2.43   0.002% *  0.0500% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  20.33 +/- 0.89   0.004% *  0.0222% (0.05   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  28.26 +/- 1.27   0.000% *  0.0572% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  26.49 +/- 1.60   0.001% *  0.0340% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  21.67 +/- 0.86   0.002% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  33.29 +/- 1.88   0.000% *  0.0876% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  29.80 +/- 1.46   0.000% *  0.0175% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.182, support = 4.34, residual support = 36.3:
          HG    LEU   31 - HB3   GLN   30   4.80 +/- 0.73  33.408% * 73.9936% (0.15  1.00   5.83  49.08) =  70.701%  kept
          QD2   LEU   73 - HB3   GLN   30   3.93 +/- 0.96  66.576% * 15.3862% (0.25  1.00   0.75   5.33) =  29.297%  kept
        T QD1   ILE   56 - HB3   GLN   30  17.20 +/- 1.53   0.009% *  8.0093% (0.49 10.00   0.02   0.02) =   0.002%
          QD2   LEU  123 - HB3   GLN   30  20.61 +/- 2.84   0.005% *  0.9980% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB3   GLN   30  21.79 +/- 1.20   0.002% *  1.6129% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.24, residual support = 5.33:
          QD1   LEU   73 - HB3   GLN   30   2.60 +/- 0.46  99.529% * 96.9582% (0.87   3.24   5.33) =  99.997%  kept
          QD2   LEU   80 - HB3   GLN   30   8.71 +/- 3.09   0.337% *  0.6832% (0.99   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB3   GLN   30  10.54 +/- 3.68   0.105% *  0.2834% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   GLN   30  13.29 +/- 1.18   0.011% *  0.5979% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   GLN   30  14.19 +/- 1.07   0.007% *  0.5979% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  13.82 +/- 1.48   0.010% *  0.1916% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  18.09 +/- 2.35   0.001% *  0.6878% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.725, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  20.09 +/- 2.46  25.701% * 54.6388% (0.97   0.02   0.02) =  56.487%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.39 +/- 1.41  15.513% * 36.6255% (0.65   0.02   0.02) =  22.856%  kept
          QD1   ILE   56 - HB2   GLN   30  17.05 +/- 1.60  58.786% *  8.7356% (0.15   0.02   0.02) =  20.657%  kept
    Distance limit 3.42 A violated in 20 structures by 12.04 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.6, residual support = 5.33:
          QD1   LEU   73 - HB2   GLN   30   2.37 +/- 0.60  99.731% * 94.0297% (0.87   1.60   5.33) =  99.997%  kept
          QD2   LEU   80 - HB2   GLN   30   9.34 +/- 2.51   0.177% *  1.3409% (0.99   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB2   GLN   30  11.15 +/- 3.14   0.066% *  0.5562% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   GLN   30  12.93 +/- 1.18   0.009% *  1.1736% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   GLN   30  13.81 +/- 0.94   0.006% *  1.1736% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   GLN   30  13.38 +/- 1.44   0.009% *  0.3762% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  17.83 +/- 2.27   0.001% *  1.3499% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.63, residual support = 154.1:
      O T HA    GLN   30 - HG3   GLN   30   2.59 +/- 0.59  95.546% * 98.6729% (0.65  10.0 10.00   4.63 154.11) = 100.000%  kept
        T HD3   PRO   52 - HB2   PRO   93   8.92 +/- 1.96   0.174% *  0.0863% (0.06   1.0 10.00   0.02   0.70) =   0.000%
          HB2   CYS   53 - HB2   PRO   93   5.53 +/- 1.63   3.781% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG3   GLN   30   9.83 +/- 1.12   0.070% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30  10.17 +/- 0.95   0.043% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  14.16 +/- 1.91   0.010% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   8.95 +/- 1.18   0.131% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  17.31 +/- 3.73   0.004% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  10.80 +/- 2.68   0.169% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93  10.42 +/- 0.89   0.042% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  14.13 +/- 2.52   0.012% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  21.42 +/- 2.38   0.001% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.21 +/- 1.52   0.009% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  21.18 +/- 1.05   0.001% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  16.80 +/- 2.29   0.003% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  21.36 +/- 1.65   0.001% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  21.82 +/- 1.59   0.001% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  25.98 +/- 1.84   0.000% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  28.82 +/- 1.16   0.000% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  18.69 +/- 1.28   0.001% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.48 +/- 0.89   0.001% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  27.21 +/- 2.32   0.000% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  26.50 +/- 1.61   0.000% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  25.73 +/- 1.75   0.000% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.87 +/- 0.88   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  30.26 +/- 1.39   0.000% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  31.65 +/- 1.57   0.000% *  0.0245% (0.16   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 = 2.21, residual support = 12.7:
          HZ2   TRP   27 - QD1   LEU   31   3.33 +/- 0.52  99.950% * 99.8395% (0.87   2.21  12.73) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  12.70 +/- 1.15   0.050% *  0.1605% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.902, support = 0.951, residual support = 15.7:
          HD21  ASN   28 - QD1   LEU   31   4.20 +/- 0.89  79.727% * 59.5240% (0.92   0.98  17.86) =  86.545%  kept
          HZ2   TRP   87 - QD1   LEU   31   7.85 +/- 4.07  19.599% * 37.6329% (0.76   0.75   1.53) =  13.450%  kept
          QE    PHE   60 - QD1   LEU   31  10.15 +/- 1.04   0.386% *  0.2599% (0.20   0.02   0.02) =   0.002%
          HN    ALA   84 - QD1   LEU   31  11.94 +/- 2.72   0.236% *  0.3651% (0.28   0.02   0.02) =   0.002%
          HN    LEU   63 - QD1   LEU   31  15.33 +/- 0.78   0.030% *  1.0035% (0.76   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU   31  18.21 +/- 0.94   0.011% *  0.8495% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  18.44 +/- 2.00   0.011% *  0.3651% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.683, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  13.65 +/- 2.91  29.793% * 52.6698% (0.97   0.02   0.02) =  54.076%  kept
          HN    ASP- 105 - QD1   LEU   31  11.19 +/- 1.18  67.672% * 18.6164% (0.34   0.02   0.02) =  43.415%  kept
          HN    PHE   55 - QD1   LEU   31  19.63 +/- 1.07   2.535% * 28.7138% (0.53   0.02   0.02) =   2.508%  kept
    Distance limit 4.15 A violated in 20 structures by 6.22 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.42, residual support = 230.3:
          HN    LEU   31 - HG    LEU   31   3.04 +/- 0.67  99.880% * 99.1100% (0.67   7.42 230.32) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.93 +/- 0.79   0.115% *  0.2068% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  19.39 +/- 0.88   0.003% *  0.2867% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  23.17 +/- 1.24   0.001% *  0.3168% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  23.70 +/- 1.37   0.001% *  0.0797% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.03, residual support = 230.3:
      O   HN    LEU   31 - HB3   LEU   31   3.53 +/- 0.02  99.611% * 99.3670% (0.34  10.0   7.03 230.32) =  99.999%  kept
          HN    LYS+  38 - HB3   LEU   31   9.04 +/- 0.61   0.386% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HB3   LEU   31  20.54 +/- 0.72   0.003% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  25.11 +/- 1.24   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 = 5.66, residual support = 43.1:
          HN    GLN   32 - HB3   LEU   31   3.83 +/- 0.18  79.068% * 80.5671% (0.76   5.93  45.51) =  94.169%  kept
          HN    ALA   34 - HB3   LEU   31   4.87 +/- 0.32  20.907% * 18.8682% (0.84   1.27   4.50) =   5.831%  kept
          HN    LEU   80 - HB3   LEU   31  16.57 +/- 2.24   0.016% *  0.2582% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  18.82 +/- 3.50   0.009% *  0.1335% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  24.36 +/- 1.47   0.001% *  0.1731% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.56, residual support = 17.9:
        T HA    ASN   28 - HB2   LEU   31   3.27 +/- 0.27  98.413% * 98.0556% (0.73 10.00   2.56  17.86) =  99.991%  kept
        T HA    ALA   34 - HB2   LEU   31   7.71 +/- 0.27   0.662% *  1.2110% (0.90 10.00   0.02   4.50) =   0.008%
          HA1   GLY  101 - HB2   LEU   31   9.98 +/- 3.26   0.568% *  0.1338% (0.99  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB2   LEU   31   8.44 +/- 0.21   0.353% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  25.16 +/- 2.39   0.001% *  0.2084% (0.15 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   LEU   31  21.91 +/- 1.71   0.001% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  25.04 +/- 1.25   0.001% *  0.1338% (0.99  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  23.07 +/- 1.41   0.001% *  0.0208% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  24.98 +/- 1.44   0.001% *  0.0301% (0.22  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 = 7.03, residual support = 230.3:
      O   HN    LEU   31 - HB2   LEU   31   2.49 +/- 0.13  99.973% * 99.3670% (0.34  10.0   7.03 230.32) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.94 +/- 0.39   0.026% *  0.2907% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  21.30 +/- 0.65   0.000% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  25.38 +/- 1.15   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 = 0.765, support = 5.9, residual support = 45.3:
          HN    GLN   32 - HB2   LEU   31   2.78 +/- 0.19  97.740% * 80.5665% (0.76   5.93  45.51) =  99.463%  kept
          HN    ALA   34 - HB2   LEU   31   5.32 +/- 0.17   2.254% * 18.8688% (0.84   1.27   4.50) =   0.537%  kept
          HN    LEU   80 - HB2   LEU   31  15.77 +/- 2.14   0.004% *  0.2582% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  18.23 +/- 3.40   0.002% *  0.1335% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  24.62 +/- 1.41   0.000% *  0.1731% (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 = 7.03, residual support = 230.3:
      O   HN    LEU   31 - HA    LEU   31   2.80 +/- 0.03  99.819% * 99.3670% (0.34  10.0   7.03 230.32) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   8.11 +/- 0.50   0.180% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  19.17 +/- 0.60   0.001% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  24.58 +/- 1.16   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 = 0.777, support = 5.18, residual support = 38.2:
      O   HN    GLN   32 - HA    LEU   31   3.59 +/- 0.03  29.941% * 91.3871% (0.76  10.0   5.93  45.51) =  82.261%  kept
          HN    ALA   34 - HA    LEU   31   3.11 +/- 0.28  70.053% *  8.4230% (0.84   1.0   1.69   4.50) =  17.739%  kept
          HN    LEU   80 - HA    LEU   31  16.57 +/- 2.19   0.004% *  0.0868% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  19.76 +/- 3.20   0.002% *  0.0449% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.01 +/- 1.31   0.000% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2471 (0.60, 3.61, 58.19 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 1.22, residual support = 3.33:
          QD1   LEU   73 - HA    LEU   31   4.04 +/- 0.90  98.224% * 87.6997% (0.49   1.22   3.33) =  99.949%  kept
          QD1   LEU  104 - HA    LEU   31  11.36 +/- 0.82   0.499% *  2.9172% (0.99   0.02   0.02) =   0.017%
          QD2   LEU   80 - HA    LEU   31  11.17 +/- 2.85   0.562% *  2.5530% (0.87   0.02   0.02) =   0.017%
          QG1   VAL   83 - HA    LEU   31  12.01 +/- 3.72   0.496% *  2.3567% (0.80   0.02   0.02) =   0.014%
          QD1   LEU   63 - HA    LEU   31  13.03 +/- 1.15   0.144% *  1.4326% (0.49   0.02   0.02) =   0.002%
          QD2   LEU  115 - HA    LEU   31  17.90 +/- 2.37   0.032% *  2.4584% (0.84   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU   31  15.87 +/- 1.87   0.043% *  0.5825% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 5 structures by 0.49 A, kept.
 
    Peak 2472 (7.73, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.522, support = 2.76, residual support = 12.9:
          HD1   TRP   87 - QG2   VAL   83   3.48 +/- 0.94  89.687% * 67.5396% (0.53   2.81  12.99) =  97.922%  kept
          HE3   TRP   87 - QG2   VAL   83   6.08 +/- 0.99   8.061% * 12.1241% (0.45   0.59  12.99) =   1.580%  kept
          HN    TRP   27 - QG2   VAL   83   8.54 +/- 2.46   1.672% * 18.1756% (1.00   0.40   0.81) =   0.491%
          HN    ALA   91 - QG2   VAL   83   8.87 +/- 0.89   0.532% *  0.7635% (0.84   0.02   0.02) =   0.007%
          HN    ALA   61 - QG2   VAL   83  16.03 +/- 1.83   0.022% *  0.6986% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   VAL   83  18.09 +/- 3.04   0.011% *  0.5175% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  17.46 +/- 3.12   0.015% *  0.1809% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 3 structures by 0.42 A, kept.
 
    Peak 2473 (6.72, 0.08, 62.25 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  17.21 +/- 2.70 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.09 A violated in 20 structures by 14.13 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.504, support = 0.0199, residual support = 0.0199:
          QD    PHE   59 - QG2   VAL   42   7.13 +/- 1.03  59.605% * 17.5479% (0.39   0.02   0.02) =  49.141%  kept
          HE21  GLN   30 - QG2   VAL   42   8.32 +/- 1.21  29.425% * 30.1124% (0.67   0.02   0.02) =  41.630%  kept
          HD1   TRP   27 - QG2   VAL   42  10.17 +/- 1.82  10.742% * 17.5479% (0.39   0.02   0.02) =   8.856%  kept
          HH2   TRP   49 - QG2   VAL   42  18.81 +/- 1.67   0.228% * 34.7918% (0.77   0.02   0.02) =   0.373%
    Distance limit 3.27 A violated in 20 structures by 3.11 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.786, support = 0.322, residual support = 1.2:
          QD2   LEU   40 - QG2   VAL   42   3.88 +/- 1.20  57.916% * 65.1566% (0.79  1.00   0.34   1.25) =  95.863%  kept
          QD1   LEU   67 - QG2   VAL   42   5.20 +/- 1.76  28.962% *  3.9120% (0.80  1.00   0.02   0.02) =   2.878%  kept
        T HB    VAL   75 - QG2   VAL   42   9.08 +/- 1.18   1.370% * 19.0840% (0.39 10.00   0.02   0.02) =   0.664%  kept
          QD2   LEU   71 - QG2   VAL   42   5.99 +/- 0.50   6.606% *  1.9084% (0.39  1.00   0.02   5.27) =   0.320%
          QG2   ILE  103 - QG2   VAL   42   7.38 +/- 0.84   1.082% *  3.8860% (0.79  1.00   0.02   0.02) =   0.107%
          HG3   LYS+  74 - QG2   VAL   42   9.84 +/- 1.13   0.840% *  3.7088% (0.76  1.00   0.02   0.02) =   0.079%
          QG2   ILE  119 - QG2   VAL   42   7.62 +/- 1.54   2.073% *  0.8729% (0.18  1.00   0.02   0.02) =   0.046%
          QD1   ILE  103 - QG2   VAL   42   7.55 +/- 1.02   1.150% *  1.4715% (0.30  1.00   0.02   0.02) =   0.043%
    Distance limit 2.99 A violated in 4 structures by 0.55 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 = 0.852, support = 3.64, residual support = 12.1:
        T HZ2   TRP   27 - QD2   LEU   31   4.07 +/- 0.64  18.267% * 96.1840% (0.99 10.00   4.08  12.73) =  84.924%  kept
        T HZ2   TRP   27 - QG2   VAL   43   2.94 +/- 0.78  81.733% *  3.8160% (0.07 10.00   1.17   8.31) =  15.076%  kept
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 49.1:
          HE22  GLN   30 - QD2   LEU   31   4.01 +/- 0.16  92.982% * 99.1217% (0.90   3.20  49.08) =  99.996%  kept
          HE22  GLN   30 - QG2   VAL   43   6.87 +/- 1.32   6.787% *  0.0419% (0.06   0.02   0.02) =   0.003%
          HD22  ASN   69 - QD2   LEU   31  13.03 +/- 1.36   0.101% *  0.4470% (0.65   0.02   0.02) =   0.000%
          HN    TRP   49 - QD2   LEU   31  17.95 +/- 0.71   0.012% *  0.3363% (0.49   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  14.30 +/- 1.17   0.051% *  0.0303% (0.04   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  13.66 +/- 0.72   0.066% *  0.0228% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 60.6:
      O T HA    VAL   43 - QG2   VAL   43   2.33 +/- 0.20  98.699% * 99.3737% (0.50  10.0 10.00   3.00  60.56) =  99.996%  kept
        T HA    VAL   43 - QD2   LEU   31   5.32 +/- 0.80   1.225% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.004%
          HA    HIS   22 - QG2   VAL   43   8.79 +/- 1.07   0.046% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31   9.90 +/- 0.64   0.021% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  13.86 +/- 1.07   0.002% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  12.04 +/- 1.32   0.007% *  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 = 0.263, support = 1.87, residual support = 11.2:
        T HZ3   TRP   27 - QD2   LEU   31   4.67 +/- 2.27  45.864% * 69.7753% (0.14 10.00   1.73  12.73) =  66.168%  kept
          HZ3   TRP   27 - QG2   VAL   43   3.91 +/- 0.83  54.136% * 30.2247% (0.50  1.00   2.15   8.31) =  33.832%  kept
    Distance limit 2.94 A violated in 6 structures by 0.53 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.913, support = 4.19, residual support = 43.8:
          HN    GLN   32 - QG    GLN   32   3.50 +/- 0.63  92.076% * 85.5579% (0.92   4.21  44.40) =  98.626%  kept
          HN    ALA   34 - QG    GLN   32   5.56 +/- 0.21   7.910% * 13.8717% (0.22   2.83   0.25) =   1.374%  kept
          HN    SER   85 - QG    GLN   32  20.48 +/- 3.09   0.004% *  0.4252% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  18.10 +/- 1.97   0.007% *  0.0680% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  20.27 +/- 0.98   0.003% *  0.0772% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 4.21, residual support = 44.4:
      O   HN    GLN   32 - QB    GLN   32   2.16 +/- 0.12  99.172% * 99.8359% (0.92  10.0   4.21  44.40) = 100.000%  kept
          HN    ALA   34 - QB    GLN   32   4.86 +/- 0.11   0.827% *  0.0241% (0.22   1.0   0.02   0.25) =   0.000%
          HN    SER   85 - QB    GLN   32  19.56 +/- 3.08   0.000% *  0.1044% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  16.72 +/- 1.97   0.001% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  19.26 +/- 0.95   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 = 5.76, residual support = 66.9:
      O   HN    GLU-  29 - HA    GLU-  29   2.72 +/- 0.02  81.425% * 27.4129% (0.14  10.0   5.94  93.61) =  63.909%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.01  17.723% * 71.1184% (0.36  10.0   5.42  19.48) =  36.089%  kept
          HN    GLN   30 - HA    GLN   32   6.70 +/- 0.14   0.366% *  0.1093% (0.55   1.0   0.02   1.58) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.54 +/- 0.48   0.193% *  0.1125% (0.57   1.0   0.02   0.16) =   0.001%
          HN    GLU-  29 - HA    GLN   32   7.46 +/- 0.25   0.195% *  0.0421% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    LYS+  33   9.10 +/- 0.68   0.065% *  0.0433% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.09 +/- 0.92   0.012% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.02 +/- 2.21   0.007% *  0.1296% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.79 +/- 0.55   0.005% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.20 +/- 2.17   0.001% *  0.1260% (0.63   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  15.98 +/- 0.89   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  18.95 +/- 3.18   0.001% *  0.1093% (0.55   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  18.77 +/- 2.64   0.001% *  0.1125% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.79 +/- 1.98   0.001% *  0.0820% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  18.85 +/- 3.33   0.001% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  20.91 +/- 3.96   0.001% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  21.38 +/- 2.75   0.000% *  0.0711% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  24.06 +/- 3.58   0.000% *  0.1020% (0.51   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 = 4.15, residual support = 44.3:
      O   HN    GLN   32 - HA    GLN   32   2.73 +/- 0.03  78.818% * 98.5602% (0.39  10.0   4.15  44.40) =  99.845%  kept
          HN    GLN   32 - HA    GLU-  29   3.46 +/- 0.16  19.605% *  0.6086% (0.25   1.0   0.19   0.02) =   0.153%
          HN    GLN   32 - HA    LYS+  33   5.26 +/- 0.08   1.573% *  0.1014% (0.40   1.0   0.02  11.45) =   0.002%
          HN    SER   85 - HA    GLU-  29  19.75 +/- 2.99   0.001% *  0.1046% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  22.23 +/- 3.50   0.000% *  0.1607% (0.63   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  20.97 +/- 1.13   0.000% *  0.0847% (0.33   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  25.08 +/- 3.13   0.000% *  0.1654% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  20.44 +/- 0.55   0.000% *  0.0551% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  22.45 +/- 0.92   0.000% *  0.0872% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  18.05 +/- 0.97   0.001% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  21.50 +/- 1.23   0.000% *  0.0269% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  22.70 +/- 1.25   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 = 0.655, support = 5.52, residual support = 141.2:
      O   HN    LYS+  33 - HA    LYS+  33   2.83 +/- 0.04  76.375% * 79.3011% (0.69  10.0   5.61 149.95) =  93.694%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.55 +/- 0.01  19.984% * 20.3940% (0.18  10.0   4.25  11.45) =   6.305%  kept
          HN    LYS+  33 - HA    GLU-  29   4.92 +/- 0.60   3.620% *  0.0221% (0.19   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    LYS+  33  14.73 +/- 0.67   0.004% *  0.1035% (0.90   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLU-  29  12.17 +/- 0.51   0.013% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  15.02 +/- 0.62   0.004% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  24.82 +/- 1.35   0.000% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  25.72 +/- 2.67   0.000% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  21.43 +/- 2.27   0.000% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  24.55 +/- 1.47   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  22.89 +/- 2.90   0.000% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  26.35 +/- 1.26   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 = 0.604, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  13.79 +/- 0.71  15.712% * 37.1179% (0.92   0.02   0.02) =  49.610%  kept
          HE3   TRP   27 - QB    LYS+  33   9.97 +/- 2.27  76.635% *  5.4417% (0.14   0.02   0.02) =  35.474%  kept
          HN    LYS+  66 - QB    LYS+  33  16.43 +/- 0.63   5.906% * 18.0271% (0.45   0.02   0.02) =   9.056%  kept
          HN    LYS+  81 - QB    LYS+  33  19.72 +/- 1.90   1.748% * 39.4132% (0.98   0.02   0.02) =   5.860%  kept
    Distance limit 3.59 A violated in 20 structures by 5.81 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 = 149.9:
      O   HN    LYS+  33 - QB    LYS+  33   2.36 +/- 0.33  99.989% * 99.9232% (0.97  10.0   5.76 149.95) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  11.16 +/- 0.70   0.011% *  0.0586% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  21.06 +/- 1.04   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 = 0.913, support = 5.86, residual support = 42.3:
          HN    ALA   34 - QB    LYS+  33   2.94 +/- 0.21  92.801% * 67.7656% (0.92   5.92  43.40) =  96.488%  kept
          HN    GLN   32 - QB    LYS+  33   4.74 +/- 0.38   7.195% * 31.8082% (0.65   3.97  11.45) =   3.512%  kept
          HN    LEU   80 - QB    LYS+  33  17.36 +/- 1.96   0.003% *  0.2070% (0.84   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  21.37 +/- 2.67   0.001% *  0.0689% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  24.47 +/- 1.04   0.000% *  0.1503% (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 = 0.344, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33  10.38 +/- 1.21  86.385% *  8.4971% (0.20   0.02   0.02) =  66.811%  kept
          HN    ILE  103 - QB    LYS+  33  15.22 +/- 0.58  10.148% * 24.3087% (0.57   0.02   0.02) =  22.454%  kept
          HN    SER   82 - QB    LYS+  33  19.79 +/- 2.63   2.662% * 34.3809% (0.80   0.02   0.02) =   8.329%  kept
          HN    GLN   90 - QB    LYS+  33  23.68 +/- 1.92   0.805% * 32.8133% (0.76   0.02   0.02) =   2.405%  kept
    Distance limit 3.79 A violated in 20 structures by 6.31 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 = 149.9:
      O   HA    LYS+  33 - HG2   LYS+  33   3.63 +/- 0.46  86.850% * 98.3393% (0.53  10.0   5.39 149.95) =  99.987%  kept
          HB2   SER   37 - HG2   LYS+  33   7.00 +/- 1.39   4.713% *  0.1561% (0.84   1.0   0.02   0.02) =   0.009%
          HA    GLU-  29 - HG2   LYS+  33   6.93 +/- 1.18   2.620% *  0.0702% (0.38   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - QG    LYS+  81   6.01 +/- 0.36   5.093% *  0.0249% (0.13   1.0   0.02  19.14) =   0.001%
          HA    VAL   70 - HG2   LYS+  33  10.61 +/- 2.18   0.432% *  0.1561% (0.84   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   LYS+  33  11.80 +/- 1.40   0.122% *  0.0638% (0.34   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+  33  13.33 +/- 1.78   0.067% *  0.0910% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  14.18 +/- 1.08   0.035% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  15.47 +/- 1.09   0.021% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  20.67 +/- 1.05   0.003% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  18.30 +/- 1.34   0.007% *  0.0387% (0.21   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  18.15 +/- 1.45   0.007% *  0.0336% (0.18   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  18.04 +/- 0.63   0.007% *  0.0305% (0.16   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  25.26 +/- 2.80   0.001% *  0.1561% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  20.97 +/- 1.07   0.003% *  0.0596% (0.32   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  20.53 +/- 1.34   0.004% *  0.0425% (0.23   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  21.81 +/- 1.69   0.002% *  0.0552% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  21.96 +/- 3.27   0.003% *  0.0520% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  21.77 +/- 3.72   0.004% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  23.53 +/- 0.44   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  24.30 +/- 1.49   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  22.85 +/- 1.49   0.002% *  0.0471% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.93 +/- 1.25   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  24.11 +/- 0.69   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 = 4.74, residual support = 123.4:
        T QD1   ILE   56 - QG2   ILE   56   2.63 +/- 0.68  99.901% * 99.6085% (0.98 10.00   4.74 123.40) = 100.000%  kept
          QD2   LEU   73 - QG2   ILE   56  11.12 +/- 1.31   0.053% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG2   ILE   56  13.89 +/- 1.22   0.012% *  0.1568% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   ILE   56  13.98 +/- 1.56   0.007% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  16.46 +/- 1.94   0.005% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  11.93 +/- 1.21   0.021% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.28 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   3.28 +/- 1.45  98.080% * 49.9558% (0.99 10.00   0.02   0.02) =  99.866%  kept
        T HA    ILE   19 - QG2   ILE   56  14.37 +/- 1.66   0.101% * 42.0992% (0.84 10.00   0.02   0.02) =   0.087%
          HA    GLU- 114 - QG2   ILE   56   9.61 +/- 1.38   1.783% *  1.2568% (0.25  1.00   0.02   0.02) =   0.046%
          HA    THR   26 - QG2   ILE   56  19.29 +/- 1.85   0.015% *  2.8535% (0.57  1.00   0.02   0.02) =   0.001%
          HA    GLU-  25 - QG2   ILE   56  20.14 +/- 1.80   0.010% *  3.0570% (0.61  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QG2   ILE   56  19.98 +/- 2.17   0.011% *  0.7777% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 6 structures by 0.70 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 = 0.859, support = 3.2, residual support = 15.3:
          HA    PHE   55 - QG2   ILE   56   4.85 +/- 0.89  27.195% * 87.2663% (0.92   3.94  18.59) =  76.810%  kept
          HA    ALA  110 - QG2   ILE   56   5.24 +/- 3.29  61.416% * 11.6478% (0.65   0.75   4.57) =  23.153%  kept
          HA    THR   46 - QG2   ILE   56   6.06 +/- 1.94  11.154% *  0.0950% (0.20   0.02   0.02) =   0.034%
          HA    VAL   42 - QG2   ILE   56  11.44 +/- 1.42   0.112% *  0.3845% (0.80   0.02   0.02) =   0.001%
          HA    GLN   90 - QG2   ILE   56  12.14 +/- 1.73   0.087% *  0.3669% (0.76   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   ILE   56  13.77 +/- 1.39   0.034% *  0.1197% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  23.18 +/- 1.38   0.001% *  0.1197% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 1 structures by 0.33 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  10.68 +/- 0.88 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 2.91 A violated in 20 structures by 7.78 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.34, residual support = 33.7:
          HN    ALA   57 - QG2   ILE   56   3.39 +/- 0.56  96.557% * 99.1190% (0.92   5.34  33.75) =  99.988%  kept
          HE21  GLN  116 - QG2   ILE   56  10.51 +/- 2.75   3.212% *  0.3490% (0.87   0.02   0.02) =   0.012%
          HN    ALA  120 - QG2   ILE   56  11.10 +/- 1.46   0.213% *  0.1959% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   90 - QG2   ILE   56  14.91 +/- 1.35   0.017% *  0.3361% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 1 structures by 0.20 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.64, residual support = 123.4:
          HN    ILE   56 - QG2   ILE   56   2.62 +/- 0.38  96.170% * 98.5288% (0.65   6.64 123.40) =  99.995%  kept
          QE    PHE   60 - QG2   ILE   56   6.93 +/- 1.90   2.626% *  0.0908% (0.20   0.02   2.31) =   0.003%
          HN    LYS+ 111 - QG2   ILE   56   6.71 +/- 2.18   1.021% *  0.1276% (0.28   0.02   2.19) =   0.001%
          HN    LEU   63 - QG2   ILE   56   8.02 +/- 0.64   0.172% *  0.3507% (0.76   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QG2   ILE   56  14.94 +/- 2.56   0.005% *  0.3507% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  17.36 +/- 1.86   0.002% *  0.4237% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  14.55 +/- 1.53   0.005% *  0.1276% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 2.81, residual support = 8.89:
        T HB    THR   39 - QB    ALA   34   3.27 +/- 0.66  83.088% * 93.7568% (0.80 10.00   2.82   8.94) =  99.431%  kept
          HA    GLN   30 - QB    ALA   34   5.56 +/- 0.49   6.118% *  3.9358% (0.44  1.00   1.55   0.40) =   0.307%
          HB3   SER   37 - QB    ALA   34   4.86 +/- 0.32  10.712% *  1.9128% (0.69  1.00   0.48   0.02) =   0.262%
          QB    SER   13 - QB    ALA   34  13.47 +/- 1.96   0.057% *  0.0965% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  17.58 +/- 3.14   0.007% *  0.1036% (0.89  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  15.35 +/- 1.16   0.011% *  0.0392% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  18.90 +/- 1.98   0.004% *  0.0799% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  23.50 +/- 1.02   0.001% *  0.0592% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  19.83 +/- 1.00   0.002% *  0.0161% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 1 structures by 0.17 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 0.75, residual support = 4.5:
          HA    LEU   31 - QB    ALA   34   2.52 +/- 0.38 100.000% *100.0000% (0.65   0.75   4.50) = 100.000%  kept
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.748, support = 2.95, residual support = 9.4:
        T QG1   VAL   41 - QB    ALA   34   2.13 +/- 0.27  97.994% * 90.8800% (0.75 10.00   2.96   9.41) =  99.894%  kept
          HG    LEU   31 - QB    ALA   34   5.02 +/- 0.64   1.188% *  7.9092% (0.83  1.00   1.57   4.50) =   0.105%
          QD2   LEU   73 - QB    ALA   34   5.44 +/- 0.76   0.587% *  0.0871% (0.72  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QB    ALA   34   6.25 +/- 0.90   0.217% *  0.0704% (0.58  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QB    ALA   34  10.13 +/- 0.70   0.011% *  0.4473% (0.37 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  14.93 +/- 0.97   0.001% *  0.5724% (0.47 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  12.87 +/- 0.36   0.002% *  0.0336% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.31, residual support = 18.7:
          HN    ASN   35 - QB    ALA   34   2.91 +/- 0.07  99.913% * 98.5981% (0.62   3.31  18.74) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34   9.63 +/- 0.48   0.081% *  0.2679% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  16.89 +/- 2.42   0.004% *  0.8661% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  18.98 +/- 1.37   0.001% *  0.2679% (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 = 3.72, residual support = 25.5:
      O   HN    ALA   34 - QB    ALA   34   1.99 +/- 0.07  99.996% * 99.6936% (0.58  10.0   3.72  25.53) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  11.39 +/- 0.35   0.003% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  16.16 +/- 1.55   0.000% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  21.06 +/- 0.89   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 = 3.52, residual support = 25.5:
      O   HN    ALA   34 - HA    ALA   34   2.77 +/- 0.01  99.612% * 99.6949% (0.87  10.0   3.52  25.53) = 100.000%  kept
          HN    GLN   32 - HA    ALA   34   6.99 +/- 0.12   0.386% *  0.0287% (0.25   1.0   0.02   0.25) =   0.000%
          HN    LEU   80 - HA    ALA   34  21.03 +/- 1.93   0.001% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  22.30 +/- 2.66   0.001% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  26.84 +/- 1.00   0.000% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  27.74 +/- 1.29   0.000% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  25.98 +/- 2.50   0.000% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  32.52 +/- 1.57   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 = 0.88, support = 2.78, residual support = 8.31:
          HB    THR   39 - HA    ALA   34   2.85 +/- 0.58  68.007% * 83.3095% (0.88   2.96   8.94) =  92.922%  kept
          HB3   SER   37 - HA    ALA   34   3.37 +/- 0.40  31.480% * 13.7076% (0.89   0.48   0.02) =   7.077%  kept
          HA    GLN   30 - HA    ALA   34   7.12 +/- 0.64   0.491% *  0.1007% (0.16   0.02   0.40) =   0.001%
          QB    SER   13 - HA    ALA   34  14.58 +/- 2.51   0.013% *  0.5548% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  14.31 +/- 0.40   0.005% *  0.1008% (0.16   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  19.85 +/- 1.29   0.001% *  0.4393% (0.69   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  17.71 +/- 2.76   0.002% *  0.1294% (0.20   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  23.02 +/- 3.74   0.000% *  0.4174% (0.65   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  24.87 +/- 2.42   0.000% *  0.5736% (0.89   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  20.65 +/- 2.99   0.001% *  0.1317% (0.21   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  22.88 +/- 2.50   0.000% *  0.1274% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  30.84 +/- 2.17   0.000% *  0.1317% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  29.85 +/- 1.18   0.000% *  0.1280% (0.20   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  25.44 +/- 2.64   0.000% *  0.0231% (0.04   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  35.98 +/- 2.66   0.000% *  0.0958% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  30.67 +/- 1.34   0.000% *  0.0294% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.03, residual support = 55.5:
      O T HA    ASN   35 - HB2   ASN   35   2.74 +/- 0.07  99.827% * 97.5620% (0.90  10.0 10.00   4.03  55.47) =  99.999%  kept
        T HA    LEU   40 - HB2   ASN   35   9.21 +/- 0.74   0.077% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB2   ASN   35   9.36 +/- 0.83   0.074% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  12.91 +/- 0.46   0.010% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  16.85 +/- 1.35   0.002% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  15.58 +/- 0.62   0.003% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  18.15 +/- 0.74   0.001% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  16.23 +/- 0.88   0.003% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  23.27 +/- 3.01   0.000% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  20.10 +/- 2.61   0.001% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  27.98 +/- 1.59   0.000% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  21.93 +/- 2.19   0.001% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  26.76 +/- 1.25   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  25.85 +/- 1.30   0.000% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  27.96 +/- 2.64   0.000% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  25.31 +/- 1.40   0.000% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  30.88 +/- 1.83   0.000% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  31.53 +/- 1.40   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   2.53 +/- 0.51  99.911% * 99.6071% (0.57  10.0   5.87  55.47) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  10.37 +/- 0.76   0.040% *  0.0996% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.52 +/- 0.49   0.040% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  17.98 +/- 3.54   0.002% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  16.39 +/- 1.13   0.003% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  18.88 +/- 2.15   0.001% *  0.0600% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  22.23 +/- 3.34   0.001% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  20.46 +/- 1.89   0.001% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  24.22 +/- 3.48   0.002% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  21.81 +/- 2.99   0.001% *  0.0266% (0.15   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   2.57 +/- 0.44  99.944% * 99.7208% (1.00  10.0   3.60  55.47) = 100.000%  kept
          HD21  ASN   35 - HB2   ASN   28  10.80 +/- 0.92   0.042% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   28  12.66 +/- 0.76   0.012% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  19.84 +/- 1.00   0.001% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  19.76 +/- 0.89   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  23.60 +/- 1.15   0.000% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  22.65 +/- 2.67   0.001% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  22.37 +/- 0.62   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  31.11 +/- 1.33   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  30.04 +/- 2.06   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 = 0.94, support = 2.29, residual support = 7.81:
        T HA    GLN   32 - HB2   ASN   35   3.45 +/- 0.65  64.413% * 74.2115% (0.99 10.00   2.17   6.45) =  94.051%  kept
        T HA    GLU-  29 - HB2   ASN   28   3.93 +/- 0.28  31.426% *  7.9448% (0.11 10.00   4.79  35.16) =   4.912%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.61 +/- 0.24   3.195% * 16.4233% (0.22 10.00   1.97   1.16) =   1.032%  kept
        T HA    GLN   32 - HB2   ASN   28   7.80 +/- 0.59   0.570% *  0.2309% (0.31 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HB2   ASN   35   8.63 +/- 0.50   0.235% *  0.2554% (0.34 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASN   28  10.41 +/- 0.88   0.095% *  0.0519% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  13.67 +/- 4.00   0.033% *  0.0104% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  22.33 +/- 1.16   0.001% *  0.3357% (0.45 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  15.57 +/- 3.17   0.012% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  17.35 +/- 1.22   0.004% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  23.64 +/- 0.98   0.001% *  0.1044% (0.14 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  19.57 +/- 2.57   0.003% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  19.81 +/- 1.56   0.002% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  16.27 +/- 0.60   0.006% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  23.44 +/- 3.83   0.001% *  0.0336% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  26.56 +/- 2.63   0.000% *  0.0734% (0.98  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  23.06 +/- 3.06   0.001% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  22.17 +/- 1.14   0.001% *  0.0195% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  29.09 +/- 0.86   0.000% *  0.0625% (0.84  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  21.78 +/- 0.91   0.001% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  25.85 +/- 1.58   0.000% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  31.11 +/- 1.47   0.000% *  0.0734% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  24.85 +/- 2.18   0.000% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  28.58 +/- 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 0.01 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   4.04 +/- 0.14  97.238% * 98.6113% (0.99   4.86  51.91) =  99.996%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.67 +/- 0.40   2.187% *  0.0717% (0.18   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HB3   ASN   35  10.22 +/- 0.50   0.405% *  0.3777% (0.92   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB3   ASN   35  11.90 +/- 0.60   0.166% *  0.2317% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  22.91 +/- 1.79   0.003% *  0.3949% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  30.39 +/- 2.03   0.001% *  0.3127% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.751, support = 5.1, residual support = 46.8:
          QB    GLU-  36 - HB2   ASN   35   4.85 +/- 0.32  27.736% * 69.2826% (0.99  1.00   5.29  51.91) =  69.493%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.27 +/- 0.32  57.644% * 10.9330% (0.18  1.00   4.70  35.16) =  22.792%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.49 +/- 0.15  12.270% * 17.3686% (0.29  1.00   4.57  35.16) =   7.707%  kept
          HB2   LYS+  38 - HB2   ASN   35   7.76 +/- 0.52   1.665% *  0.0463% (0.18  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HB2   ASN   35  10.40 +/- 0.52   0.275% *  0.2441% (0.92  1.00   0.02   0.02) =   0.002%
        T HB3   GLU-  79 - HB2   ASN   28  13.50 +/- 1.39   0.064% *  0.7938% (0.30 10.00   0.02   0.02) =   0.002%
          QB    GLU-  36 - HB2   ASN   28  11.01 +/- 0.87   0.215% *  0.0815% (0.31  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB2   ASN   35  12.01 +/- 0.44   0.114% *  0.1497% (0.57  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   90 - HB2   ASN   28  22.53 +/- 1.80   0.003% *  0.6286% (0.24 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  22.50 +/- 1.51   0.003% *  0.2552% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.67 +/- 0.49   0.011% *  0.0144% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  29.61 +/- 1.47   0.001% *  0.2021% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.545, support = 1.91, residual support = 5.75:
          HA    GLN   32 - HB3   ASN   35   3.47 +/- 0.39  89.163% * 37.9936% (0.49  1.00   2.00   6.45) =  86.632%  kept
          HA    LYS+  33 - HB3   ASN   35   5.10 +/- 0.27  10.368% * 50.3789% (0.92  1.00   1.39   1.16) =  13.358%  kept
          HA    GLU-  29 - HB3   ASN   35   8.57 +/- 0.53   0.422% *  0.7756% (0.99  1.00   0.02   0.02) =   0.008%
        T HA    VAL   18 - HB3   ASN   35  17.67 +/- 0.73   0.006% *  7.8075% (1.00 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB3   ASN   35  12.98 +/- 0.83   0.038% *  0.5062% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  23.95 +/- 4.21   0.001% *  0.7808% (1.00  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  27.27 +/- 1.99   0.000% *  0.5062% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  27.37 +/- 3.16   0.000% *  0.4117% (0.53  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  29.65 +/- 1.03   0.000% *  0.5980% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  31.86 +/- 1.58   0.000% *  0.2415% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 55.5:
      O   HA    ASN   35 - HB3   ASN   35   3.01 +/- 0.04  99.829% * 99.4336% (0.90  10.0   3.95  55.47) = 100.000%  kept
          HA    LYS+  99 - HB3   ASN   35  10.17 +/- 0.78   0.082% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   ASN   35   9.91 +/- 0.51   0.083% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  16.78 +/- 1.16   0.004% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  19.65 +/- 2.55   0.002% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  23.87 +/- 2.98   0.001% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  28.72 +/- 1.38   0.000% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  27.36 +/- 0.94   0.000% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  31.74 +/- 1.76   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   2.72 +/- 0.39  99.998% * 99.8105% (1.00  10.0   3.26  55.47) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  20.12 +/- 0.70   0.001% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  20.20 +/- 0.70   0.001% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.75 +/- 1.45   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  30.82 +/- 2.68   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.91 +/- 0.10  99.327% * 98.9717% (0.97   5.91  51.91) =  99.998%  kept
          HN    THR   39 - HB3   ASN   35   6.83 +/- 0.22   0.617% *  0.3112% (0.90   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB3   ASN   35  11.23 +/- 1.59   0.047% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  14.09 +/- 0.51   0.008% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  22.47 +/- 3.58   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   2.68 +/- 0.34  99.999% * 99.9102% (0.97  10.0   5.88  55.47) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  21.59 +/- 3.41   0.001% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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   3.72 +/- 0.19 100.000% *100.0000% (0.99  10.0   3.26  55.47) = 100.000%  kept
    Distance limit 3.98 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   3.53 +/- 0.18  97.387% * 98.9280% (0.92   6.05  51.91) =  99.995%  kept
          HN    THR   39 - HB2   ASN   35   6.70 +/- 0.27   2.229% *  0.1863% (0.53   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HB2   ASN   35  10.28 +/- 1.60   0.249% *  0.3533% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB2   ASN   28  11.68 +/- 0.71   0.081% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  15.23 +/- 2.72   0.022% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  16.93 +/- 2.23   0.011% *  0.1099% (0.31   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  14.70 +/- 0.41   0.019% *  0.0580% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  21.66 +/- 3.10   0.002% *  0.2005% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.58, residual support = 86.8:
      O T HA    GLU-  36 - QB    GLU-  36   2.31 +/- 0.18  99.991% * 99.4140% (0.84  10.0 10.00   5.58  86.76) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  11.54 +/- 0.72   0.008% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  20.52 +/- 1.00   0.000% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  19.78 +/- 1.88   0.000% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  24.32 +/- 2.04   0.000% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  22.69 +/- 2.60   0.000% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  24.53 +/- 1.20   0.000% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  28.10 +/- 1.40   0.000% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  27.11 +/- 1.59   0.000% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  29.58 +/- 2.62   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  80.738% * 95.6972% (0.45   3.72  18.77) =  99.934%  kept
          HN    LYS+  33 - QB    GLU-  36   4.68 +/- 0.24  14.267% *  0.3190% (0.28   0.02   0.02) =   0.059%
          HN    LYS+  33 - HB3   GLU-  29   5.78 +/- 0.57   4.828% *  0.0988% (0.09   0.02   0.02) =   0.006%
          HN    CYS   21 - HB3   GLU-  29  11.43 +/- 0.72   0.074% *  0.3430% (0.30   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.27 +/- 0.71   0.079% *  0.1593% (0.14   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    GLU-  36  15.68 +/- 0.75   0.010% *  1.1072% (0.97   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  23.76 +/- 1.36   0.001% *  0.9951% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  25.05 +/- 2.45   0.001% *  0.7421% (0.65   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  22.51 +/- 2.12   0.001% *  0.2299% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  27.14 +/- 1.22   0.000% *  0.3083% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 7.31, residual support = 86.8:
      O   HN    GLU-  36 - QB    GLU-  36   2.13 +/- 0.08  99.829% * 99.6455% (0.69  10.0   7.31  86.76) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.28 +/- 0.31   0.153% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29   9.58 +/- 0.59   0.013% *  0.0309% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  13.38 +/- 1.37   0.002% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  12.96 +/- 0.64   0.002% *  0.0125% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  18.47 +/- 1.94   0.000% *  0.0390% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  17.88 +/- 0.61   0.000% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  22.36 +/- 2.99   0.000% *  0.0448% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  19.54 +/- 2.57   0.000% *  0.0139% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.47 +/- 0.62   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 = 86.8:
          HN    GLU-  36 - HG2   GLU-  36   3.33 +/- 0.49  99.981% * 98.4008% (0.28   4.85  86.76) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  15.10 +/- 1.45   0.017% *  0.6546% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  19.91 +/- 1.19   0.002% *  0.9446% (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 = 86.8:
          HN    GLU-  36 - HG3   GLU-  36   3.93 +/- 0.39  96.605% * 98.8122% (0.69   4.85  86.76) =  99.994%  kept
          HN    THR   39 - HG3   GLU-  36   7.20 +/- 1.10   3.309% *  0.1650% (0.28   0.02   0.02) =   0.006%
          HN    LYS+ 102 - HG3   GLU-  36  15.84 +/- 1.54   0.027% *  0.5148% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  18.00 +/- 3.53   0.027% *  0.0508% (0.09   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  20.71 +/- 1.00   0.005% *  0.1480% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  17.89 +/- 2.92   0.022% *  0.0206% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  26.15 +/- 3.15   0.002% *  0.1832% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  27.03 +/- 3.30   0.001% *  0.0641% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  28.63 +/- 2.43   0.001% *  0.0184% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  32.48 +/- 4.08   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.06, residual support = 86.8:
      O   HN    GLU-  36 - HA    GLU-  36   2.83 +/- 0.03  99.990% * 99.6076% (0.28  10.0   6.06  86.76) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  13.80 +/- 1.41   0.009% *  0.1606% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  19.43 +/- 0.69   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 = 26.5:
      O   HN    SER   37 - HB2   SER   37   3.47 +/- 0.23  99.990% * 99.7690% (0.98  10.0   3.42  26.47) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  17.05 +/- 0.84   0.007% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  22.09 +/- 1.42   0.002% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  28.28 +/- 2.78   0.000% *  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 = 0.532, support = 0.0199, residual support = 0.0199:
          HN    GLN   30 - HB3   SER   37  10.90 +/- 0.54  44.753% * 12.9780% (0.47   0.02   0.02) =  49.139%  kept
          HN    GLU-  29 - HB3   SER   37  13.03 +/- 0.60  15.215% * 22.4691% (0.82   0.02   0.02) =  28.923%  kept
          HN    VAL   18 - QB    SER   13  12.02 +/- 1.08  26.968% *  4.8772% (0.18   0.02   0.02) =  11.128%  kept
          HN    GLN   30 - QB    SER   13  16.76 +/- 2.10   4.657% *  9.9312% (0.36   0.02   0.02) =   3.913%  kept
          HN    GLU-  29 - QB    SER   13  18.60 +/- 2.13   2.332% * 17.1942% (0.63   0.02   0.02) =   3.393%  kept
          HN    VAL   18 - HB3   SER   37  15.53 +/- 0.84   5.709% *  6.3735% (0.23   0.02   0.02) =   3.078%  kept
          HN    ASP-  86 - HB3   SER   37  26.50 +/- 3.33   0.256% * 14.8290% (0.54   0.02   0.02) =   0.321%
          HN    ASP-  86 - QB    SER   13  30.18 +/- 2.76   0.110% * 11.3477% (0.41   0.02   0.02) =   0.105%
    Distance limit 3.78 A violated in 20 structures by 5.72 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.62, residual support = 219.5:
      O   HN    LYS+  38 - HA    LYS+  38   2.21 +/- 0.00  96.838% * 99.8691% (0.92  10.0   6.62 219.50) =  99.999%  kept
          HN    SER   37 - HA    LYS+  38   4.03 +/- 0.01   2.626% *  0.0270% (0.25   1.0   0.02  13.53) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   5.88 +/- 0.92   0.429% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   7.40 +/- 0.93   0.093% *  0.0016% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  11.05 +/- 0.38   0.006% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  11.18 +/- 1.25   0.007% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  22.17 +/- 0.60   0.000% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  30.44 +/- 0.91   0.000% *  0.0527% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  21.99 +/- 0.98   0.000% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  29.27 +/- 0.88   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 = 6.33, residual support = 28.5:
      O   HN    THR   39 - HA    LYS+  38   3.09 +/- 0.02  88.880% * 99.6467% (0.92  10.0   6.33  28.45) =  99.996%  kept
          HN    GLU-  36 - HA    LYS+  38   5.36 +/- 0.05   3.287% *  0.1021% (0.95   1.0   0.02   0.63) =   0.004%
          HN    LYS+ 102 - HA    GLU- 100   5.28 +/- 0.66   4.641% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    LYS+  38   9.05 +/- 1.27   0.193% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    GLU- 100   6.08 +/- 1.08   2.573% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   7.83 +/- 0.90   0.419% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  17.14 +/- 0.41   0.003% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  24.09 +/- 3.34   0.000% *  0.1021% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  17.18 +/- 1.37   0.003% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  22.02 +/- 3.36   0.001% *  0.0062% (0.06   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 = 13.5:
          HN    SER   37 - HB2   LYS+  38   4.73 +/- 0.06  99.974% * 32.1378% (1.00   0.02  13.53) =  99.986%  kept
          HN    ILE  119 - HB2   LYS+  38  22.69 +/- 1.82   0.009% * 25.7912% (0.80   0.02   0.02) =   0.007%
          HN    CYS   21 - HB2   LYS+  38  20.68 +/- 0.49   0.014% * 10.9869% (0.34   0.02   0.02) =   0.005%
          HN    ILE   89 - HB2   LYS+  38  29.54 +/- 2.60   0.002% * 31.0842% (0.97   0.02   0.02) =   0.002%
    Distance limit 3.68 A violated in 19 structures by 1.05 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.452, support = 5.34, residual support = 28.2:
          HN    THR   39 - HB2   LYS+  38   4.20 +/- 0.15  93.050% * 88.8387% (0.45   5.38  28.45) =  99.193%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.64 +/- 0.26   6.645% * 10.0814% (0.87   0.32   0.63) =   0.804%  kept
          HN    LYS+ 102 - HB2   LYS+  38  11.26 +/- 1.07   0.303% *  0.7216% (0.98   0.02   0.02) =   0.003%
          HD1   TRP   87 - HB2   LYS+  38  26.80 +/- 3.36   0.002% *  0.3583% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 3 structures by 0.86 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.787, support = 5.8, residual support = 212.9:
          HN    LYS+  38 - HG2   LYS+  38   3.31 +/- 0.21  90.412% * 74.8968% (0.80   5.86 219.50) =  96.786%  kept
          HN    SER   37 - HG2   LYS+  38   4.87 +/- 0.10   9.078% * 24.7717% (0.38   4.13  13.53) =   3.214%  kept
          HN    LYS+  38 - HG2   LYS+  99   8.48 +/- 0.74   0.382% *  0.0697% (0.22   0.02   0.02) =   0.000%
          HN    SER   37 - HG2   LYS+  99  10.09 +/- 0.75   0.128% *  0.0327% (0.10   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  28.97 +/- 2.53   0.000% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  25.34 +/- 2.54   0.001% *  0.0194% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  32.70 +/- 0.87   0.000% *  0.1089% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  28.09 +/- 0.93   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 = 0.78, support = 5.57, residual support = 209.5:
          HN    LYS+  38 - HG3   LYS+  38   4.05 +/- 0.10  87.164% * 71.8850% (0.80   5.62 219.50) =  95.168%  kept
          HN    SER   37 - HG3   LYS+  38   5.70 +/- 0.18  11.411% * 27.8769% (0.38   4.65  13.53) =   4.831%  kept
          HN    LYS+  38 - HG3   LYS+  99   8.91 +/- 1.05   1.055% *  0.0267% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG3   LYS+  99  10.48 +/- 1.08   0.366% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  29.01 +/- 2.66   0.001% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  32.60 +/- 1.13   0.000% *  0.1090% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  25.06 +/- 2.27   0.002% *  0.0074% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  27.73 +/- 1.32   0.001% *  0.0114% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.963, support = 3.85, residual support = 38.2:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.02  95.987% * 95.2233% (0.97  10.0   3.86  38.28) =  99.822%  kept
          HN    LYS+ 102 - HA    ILE  103   4.95 +/- 0.21   3.731% *  4.3529% (0.24   1.0   3.68  22.40) =   0.177%
          HN    GLU-  36 - HA    THR   39   8.04 +/- 0.18   0.199% *  0.0885% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.39 +/- 1.25   0.055% *  0.0716% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.70 +/- 0.47   0.013% *  0.0315% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  14.88 +/- 0.60   0.005% *  0.0292% (0.30   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  16.59 +/- 3.56   0.005% *  0.0320% (0.32   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  17.06 +/- 0.71   0.002% *  0.0406% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  23.68 +/- 3.16   0.000% *  0.0967% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.59 +/- 1.40   0.002% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  20.83 +/- 1.38   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  27.87 +/- 1.32   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 = 23.6:
      O   HN    LEU   40 - HA    THR   39   2.29 +/- 0.04  99.695% * 99.8247% (0.57  10.0   4.03  23.59) = 100.000%  kept
          HN    GLY  101 - HA    ILE  103   6.28 +/- 0.32   0.246% *  0.0353% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   8.51 +/- 0.91   0.047% *  0.1069% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.52 +/- 0.55   0.011% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.83, residual support = 38.3:
      O   HN    THR   39 - HB    THR   39   2.79 +/- 0.24  99.467% * 99.6727% (0.97  10.0   3.83  38.28) = 100.000%  kept
          HN    GLU-  36 - HB    THR   39   6.85 +/- 0.31   0.495% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   39  11.42 +/- 1.46   0.030% *  0.0750% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  14.46 +/- 0.96   0.006% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  22.14 +/- 3.10   0.001% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  26.40 +/- 1.34   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.92, residual support = 23.6:
          HN    LEU   40 - HB    THR   39   3.66 +/- 0.21  99.490% * 99.9088% (0.98   3.92  23.59) = 100.000%  kept
          HN    GLY  101 - HB    THR   39   9.32 +/- 1.14   0.510% *  0.0912% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.596, support = 0.227, residual support = 0.227:
          HN    LEU   71 - QG2   THR   39   3.13 +/- 0.50  99.891% * 55.4815% (0.60   0.23   0.23) =  99.995%  kept
          HN    GLU- 114 - QB    ALA   91  14.64 +/- 1.62   0.014% *  3.2990% (0.40   0.02   0.02) =   0.001%
          HN    PHE   60 - QG2   THR   39  14.56 +/- 0.75   0.015% *  2.4312% (0.30   0.02   0.02) =   0.001%
          HN    THR  118 - QG2   THR   39  16.13 +/- 1.03   0.009% *  4.0352% (0.49   0.02   0.02) =   0.001%
          HN    PHE   60 - QB    ALA   91  13.13 +/- 0.53   0.030% *  1.1481% (0.14   0.02   0.02) =   0.001%
          HN    GLN  116 - QG2   THR   39  18.26 +/- 1.44   0.005% *  5.9533% (0.72   0.02   0.02) =   0.001%
          HN    GLN  116 - QB    ALA   91  15.86 +/- 1.65   0.009% *  2.8113% (0.34   0.02   0.02) =   0.000%
          HN    LEU   71 - QG2   THR   23  16.54 +/- 0.65   0.007% *  2.7473% (0.33   0.02   0.02) =   0.000%
          HN    THR  118 - QB    ALA   91  16.17 +/- 1.65   0.008% *  1.9055% (0.23   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   39  20.52 +/- 1.22   0.002% *  6.9863% (0.85   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   THR   23  17.73 +/- 1.10   0.005% *  1.3643% (0.17   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ALA   91  19.55 +/- 0.95   0.003% *  2.3119% (0.28   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   23  24.37 +/- 1.35   0.001% *  3.3407% (0.41   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   23  25.09 +/- 1.20   0.001% *  3.9203% (0.48   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  23.64 +/- 1.11   0.001% *  2.2643% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 2 structures by 0.12 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 3.67, residual support = 23.6:
          HN    LEU   40 - QG2   THR   39   2.68 +/- 0.40  99.998% * 99.4405% (0.66   3.67  23.59) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  18.77 +/- 0.62   0.001% *  0.3038% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  21.64 +/- 1.09   0.001% *  0.2557% (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 = 0.602, support = 3.62, residual support = 15.1:
      O   HN    ALA   91 - QB    ALA   91   2.47 +/- 0.17  83.293% * 88.7276% (0.61  10.0   3.62  14.57) =  97.852%  kept
          HN    THR   39 - QG2   THR   39   3.41 +/- 0.40  15.619% * 10.3855% (0.38   1.0   3.76  38.28) =   2.148%  kept
          HN    TRP   27 - QG2   THR   23   5.51 +/- 0.44   0.752% *  0.0142% (0.10   1.0   0.02   1.56) =   0.000%
          HD1   TRP   87 - QB    ALA   91   7.99 +/- 1.03   0.093% *  0.1118% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   39   7.08 +/- 0.73   0.174% *  0.0259% (0.18   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  10.83 +/- 2.05   0.025% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  10.38 +/- 1.24   0.020% *  0.0154% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  13.23 +/- 0.96   0.004% *  0.0638% (0.44   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  15.73 +/- 0.66   0.001% *  0.1350% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  14.42 +/- 0.63   0.002% *  0.0770% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  13.98 +/- 0.63   0.003% *  0.0363% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  12.61 +/- 1.53   0.007% *  0.0118% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  19.41 +/- 2.71   0.000% *  0.0528% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  15.43 +/- 1.34   0.002% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  23.40 +/- 1.13   0.000% *  0.1171% (0.80   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  19.39 +/- 3.40   0.001% *  0.0172% (0.12   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  21.05 +/- 1.85   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  15.35 +/- 1.65   0.002% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  18.09 +/- 0.60   0.001% *  0.0123% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  17.28 +/- 1.06   0.001% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  22.65 +/- 1.43   0.000% *  0.0419% (0.29   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  16.55 +/- 0.73   0.001% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.05 +/- 1.26   0.000% *  0.0549% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  20.82 +/- 2.05   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 = 3.55, residual support = 14.2:
          HN    MET   92 - QB    ALA   91   3.06 +/- 0.67  97.730% * 96.9878% (0.87   3.55  14.20) =  99.988%  kept
          HN    THR   46 - QB    ALA   91   7.09 +/- 0.77   1.728% *  0.6173% (0.98   0.02   0.02) =   0.011%
          HN    LYS+  74 - QG2   THR   39  11.25 +/- 0.73   0.064% *  0.2580% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   23   9.08 +/- 0.72   0.272% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  13.67 +/- 0.53   0.023% *  0.5463% (0.87   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  10.97 +/- 1.35   0.123% *  0.0649% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QB    ALA   91  13.62 +/- 1.25   0.021% *  0.2148% (0.34   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.77 +/- 0.63   0.006% *  0.2915% (0.46   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  16.72 +/- 2.51   0.010% *  0.1565% (0.25   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  16.02 +/- 2.58   0.020% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  21.10 +/- 0.95   0.002% *  0.2580% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  22.00 +/- 1.42   0.001% *  0.1014% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  22.92 +/- 3.61   0.001% *  0.0348% (0.06   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  33.68 +/- 2.74   0.000% *  0.3313% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  24.72 +/- 1.36   0.001% *  0.0226% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.68, support = 4.74, residual support = 68.3:
          HA    LEU   40 - QD2   LEU   40   2.56 +/- 0.52  47.759% * 62.9650% (0.61   6.06 102.67) =  61.914%  kept
          HA    LYS+  99 - QD2   LEU   40   2.57 +/- 0.56  52.156% * 35.4658% (0.80   2.59  12.50) =  38.085%  kept
          HA    LEU  123 - QD2   LEU   40   9.91 +/- 2.10   0.040% *  0.3396% (0.99   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU   40   8.60 +/- 0.56   0.037% *  0.3163% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  12.97 +/- 1.25   0.004% *  0.1409% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  15.77 +/- 1.13   0.001% *  0.3242% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  15.17 +/- 0.96   0.002% *  0.1536% (0.45   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.32 +/- 1.58   0.001% *  0.1536% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  17.74 +/- 1.59   0.001% *  0.1409% (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 = 0.985, support = 4.4, residual support = 101.8:
          HA    LEU   40 - QD1   LEU   40   3.60 +/- 0.46  77.724% * 94.3637% (0.99   4.44 102.67) =  99.066%  kept
          HA    LYS+  99 - QD1   LEU   40   4.59 +/- 0.66  20.298% *  3.3828% (0.31   0.51  12.50) =   0.927%  kept
          HA    LEU  123 - QD1   LEU   40   9.25 +/- 2.28   1.242% *  0.2603% (0.61   0.02   0.02) =   0.004%
          HA    ASN   35 - QD1   LEU   40   9.42 +/- 0.62   0.260% *  0.1924% (0.45   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD1   LEU   40  11.17 +/- 1.10   0.116% *  0.3849% (0.90   0.02   0.02) =   0.001%
          HA    GLN   17 - QD1   LEU   40  10.84 +/- 1.01   0.134% *  0.1325% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU   40  13.29 +/- 0.95   0.044% *  0.3962% (0.92   0.02   0.02) =   0.000%
          HA    SER   37 - QD1   LEU   40  10.83 +/- 0.30   0.121% *  0.1325% (0.31   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  14.34 +/- 1.01   0.028% *  0.2089% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  16.23 +/- 1.31   0.012% *  0.3849% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  14.59 +/- 0.45   0.021% *  0.1611% (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 = 0.683, support = 0.482, residual support = 0.628:
        T HB3   HIS  122 - QD1   LEU   40   6.00 +/- 2.07  71.537% * 95.8250% (0.69 10.00   0.48   0.63) =  98.937%  kept
          QE    LYS+ 121 - QD1   LEU   40   8.30 +/- 2.22  21.016% *  3.4679% (0.34  1.00   0.35   0.02) =   1.052%  kept
          QE    LYS+  74 - QD1   LEU   40  10.06 +/- 1.02   7.095% *  0.1010% (0.18  1.00   0.02   0.02) =   0.010%
          HB3   ASP-  78 - QD1   LEU   40  20.16 +/- 0.84   0.081% *  0.5172% (0.90  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - QD1   LEU   40  16.36 +/- 0.83   0.271% *  0.0890% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 12 structures by 1.69 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 = 0.902, support = 0.0199, residual support = 0.0199:
          QD    PHE   59 - QD1   LEU   40   9.03 +/- 1.27  48.467% * 23.0961% (0.84   0.02   0.02) =  45.104%  kept
          HE21  GLN   30 - QD1   LEU   40   9.48 +/- 1.35  37.610% * 27.6510% (1.00   0.02   0.02) =  41.902%  kept
          HD1   TRP   27 - QD1   LEU   40  11.72 +/- 2.06  13.625% * 23.0961% (0.84   0.02   0.02) =  12.680%  kept
          HH2   TRP   49 - QD1   LEU   40  21.55 +/- 1.39   0.298% * 26.1568% (0.95   0.02   0.02) =   0.314%
    Distance limit 3.72 A violated in 20 structures by 4.07 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 0.02, residual support = 0.02:
          QD    PHE   59 - QD2   LEU   40  10.27 +/- 1.39  45.276% * 23.0961% (0.84   0.02   0.02) =  42.460%  kept
          HE21  GLN   30 - QD2   LEU   40  10.78 +/- 1.14  33.306% * 27.6510% (1.00   0.02   0.02) =  37.395%  kept
          HD1   TRP   27 - QD2   LEU   40  12.24 +/- 2.12  20.945% * 23.0961% (0.84   0.02   0.02) =  19.642%  kept
          HH2   TRP   49 - QD2   LEU   40  22.44 +/- 1.15   0.474% * 26.1568% (0.95   0.02   0.02) =   0.503%  kept
    Distance limit 3.53 A violated in 20 structures by 5.29 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.49, residual support = 19.7:
          HN    VAL   41 - QD2   LEU   40   2.79 +/- 0.52 100.000% *100.0000% (0.73   4.49  19.67) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.75, residual support = 10.4:
          HN    LEU   98 - QD2   LEU   40   2.84 +/- 0.52 100.000% *100.0000% (0.97   4.75  10.42) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.89, residual support = 102.7:
      O   HN    LEU   40 - HB3   LEU   40   2.49 +/- 0.26  99.717% * 99.9683% (0.98  10.0   4.89 102.67) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   8.23 +/- 1.36   0.282% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  19.03 +/- 2.01   0.001% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  21.21 +/- 2.16   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 = 4.71, residual support = 102.7:
      O   HN    LEU   40 - HB2   LEU   40   2.43 +/- 0.26  99.914% * 99.9908% (0.76  10.0   4.71 102.67) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   9.07 +/- 1.49   0.086% *  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 = 0.801, support = 3.99, residual support = 35.8:
          QG2   VAL   70 - HB2   LEU   40   3.46 +/- 0.51  62.204% * 99.9538% (0.80   3.99  35.85) =  99.972%  kept
          QG2   VAL   70 - HB2   LEU   67   4.48 +/- 1.54  37.796% *  0.0462% (0.07   0.02   0.42) =   0.028%
    Distance limit 3.48 A violated in 1 structures by 0.16 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   2.66 +/- 0.90  99.888% * 99.8828% (0.98 10.00   3.99  35.85) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  11.98 +/- 1.46   0.112% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 2 structures by 0.13 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.208, support = 5.07, residual support = 99.0:
      O T HA    LEU   40 - HG    LEU   40   3.20 +/- 0.44  68.905% * 76.3403% (0.18  10.0 10.00   5.26 102.67) =  95.916%  kept
          HA    LYS+  99 - HG    LEU   40   4.33 +/- 0.82  15.368% * 14.4024% (0.98   1.0  1.00   0.67  12.50) =   4.036%  kept
          HA    ILE   56 - HG    LEU  115   6.15 +/- 1.44   4.136% *  0.2189% (0.50   1.0  1.00   0.02   0.02) =   0.017%
          HA    PHE   59 - HG    LEU  115   5.81 +/- 1.77   8.441% *  0.0861% (0.20   1.0  1.00   0.02  30.07) =   0.013%
          HA    ASP- 113 - HG    LEU  115   6.45 +/- 1.00   1.870% *  0.2330% (0.53   1.0  1.00   0.02   0.02) =   0.008%
          HA    LEU  123 - HG    LEU   40  11.97 +/- 2.88   0.939% *  0.3331% (0.76   1.0  1.00   0.02   0.02) =   0.006%
        T HA    ASN   35 - HG    LEU   40  10.37 +/- 0.82   0.064% *  3.9093% (0.90   1.0 10.00   0.02   0.02) =   0.005%
          HA    LYS+  99 - HG    LEU   73  11.44 +/- 1.17   0.050% *  0.0797% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  13.31 +/- 1.24   0.018% *  0.1929% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  12.26 +/- 0.90   0.032% *  0.0729% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73   9.75 +/- 1.18   0.141% *  0.0142% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  14.43 +/- 1.13   0.011% *  0.1487% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  19.01 +/- 2.12   0.002% *  0.4420% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  18.31 +/- 1.19   0.003% *  0.3781% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  25.80 +/- 2.28   0.000% *  2.2634% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  19.82 +/- 1.69   0.002% *  0.4024% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  19.50 +/- 2.36   0.002% *  0.2474% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  17.42 +/- 1.04   0.004% *  0.0705% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  15.40 +/- 0.92   0.008% *  0.0277% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  18.81 +/- 1.99   0.003% *  0.0621% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  23.37 +/- 1.20   0.001% *  0.0750% (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 = 5.89, residual support = 35.9:
        T QG2   VAL   70 - HG    LEU   40   2.87 +/- 0.57  98.682% * 99.2404% (0.98 10.00   5.89  35.85) =  99.997%  kept
        T QG2   VAL   70 - HG    LEU   73   6.74 +/- 1.02   1.288% *  0.1850% (0.18 10.00   0.02   0.02) =   0.002%
        T QG2   VAL   70 - HG    LEU  115  12.37 +/- 1.63   0.030% *  0.5746% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.05 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   1.75 +/- 0.25 100.000% *100.0000% (0.80   3.47  35.85) = 100.000%  kept
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.47, residual support = 35.9:
          QG2   VAL   70 - QD2   LEU   40   3.52 +/- 0.46 100.000% *100.0000% (0.53   4.47  35.85) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.44 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  10.64 +/- 0.80 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.55 A violated in 20 structures by 8.08 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.711, support = 4.48, residual support = 102.7:
      O T HG    LEU   40 - QD2   LEU   40   2.11 +/- 0.01  80.020% * 41.4375% (0.65  10.0 10.00   4.08 102.67) =  74.419%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.85 +/- 0.46  19.841% * 57.4464% (0.90  10.0  1.00   5.66 102.67) =  25.581%  kept
          HG    LEU   67 - QD2   LEU   40   8.46 +/- 2.05   0.075% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD2   LEU   40   8.94 +/- 1.27   0.021% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  13.56 +/- 1.97   0.001% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40   9.84 +/- 1.25   0.010% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.16 +/- 0.73   0.028% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  13.39 +/- 0.77   0.001% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  13.00 +/- 1.94   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 = 0.26, support = 2.37, residual support = 12.5:
        T HB2   LYS+  99 - QD2   LEU   40   2.70 +/- 0.72  62.401% * 55.5410% (0.28 10.00   2.56  12.50) =  67.701%  kept
        T HB3   LYS+  99 - QD2   LEU   40   3.10 +/- 0.78  37.435% * 44.1704% (0.22 10.00   1.99  12.50) =  32.299%  kept
          HB    VAL   43 - QD2   LEU   40   8.12 +/- 0.71   0.153% *  0.0750% (0.38  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD2   LEU   40  12.34 +/- 0.90   0.009% *  0.0308% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD2   LEU   40  17.48 +/- 2.19   0.001% *  0.1212% (0.61  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  20.05 +/- 1.46   0.001% *  0.0617% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.298, support = 0.02, residual support = 0.558:
          HB2   HIS  122 - QD2   LEU   40   6.32 +/- 2.17  81.338% * 19.5836% (0.31   0.02   0.63) =  87.485%  kept
          HA    LEU   63 - QD2   LEU   40   9.52 +/- 1.19  17.806% * 11.1120% (0.18   0.02   0.02) =  10.867%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.79 +/- 1.98   0.567% * 35.9222% (0.57   0.02   0.02) =   1.119%  kept
          HB2   HIS   22 - QD2   LEU   40  18.63 +/- 0.80   0.289% * 33.3822% (0.53   0.02   0.02) =   0.529%  kept
    Distance limit 3.49 A violated in 16 structures by 2.60 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.58, residual support = 12.5:
          QE    LYS+  99 - QD2   LEU   40   2.63 +/- 0.62  99.683% * 98.4590% (0.69   3.58  12.50) =  99.997%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.45 +/- 0.59   0.185% *  0.8013% (1.00   0.02   0.02) =   0.002%
          QE    LYS+  38 - QD2   LEU   40   9.08 +/- 0.92   0.132% *  0.7397% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.837, support = 1.16, residual support = 1.58:
        T HB3   PHE   97 - QD2   LEU   40   3.54 +/- 0.97  92.145% * 90.5241% (0.84 10.00   1.16   1.59) =  99.181%  kept
          HB2   GLU- 100 - QD2   LEU   40   6.62 +/- 0.84   7.610% *  9.0450% (0.99  1.00   0.98   0.02) =   0.818%  kept
          HB2   GLN  116 - QD2   LEU   40  14.54 +/- 1.54   0.057% *  0.1765% (0.95  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD2   LEU   40  11.61 +/- 0.55   0.154% *  0.0636% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  15.89 +/- 1.25   0.022% *  0.0700% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  17.61 +/- 1.12   0.011% *  0.1207% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 102.7:
      O T HB2   LEU   40 - QD1   LEU   40   2.74 +/- 0.46  96.751% * 99.2435% (0.84  10.0 10.00   4.44 102.67) =  99.986%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.34 +/- 1.81   2.768% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.014%
          HB3   MET   96 - QD1   LEU   40   7.94 +/- 0.85   0.398% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU   40  10.33 +/- 1.26   0.074% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  14.52 +/- 1.07   0.008% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  19.11 +/- 1.32   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 = 102.7:
      O   HB2   LEU   40 - QD2   LEU   40   2.49 +/- 0.40  99.792% * 96.6350% (0.34  10.0  1.00   5.44 102.67) =  99.995%  kept
        T HB2   LEU   67 - QD2   LEU   40   8.30 +/- 1.88   0.175% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.005%
          HB    VAL   18 - QD2   LEU   40  12.45 +/- 1.54   0.024% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  13.72 +/- 1.90   0.007% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  17.33 +/- 1.11   0.002% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  20.59 +/- 1.35   0.001% *  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 = 0.762, support = 4.47, residual support = 102.7:
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.01  61.467% * 41.4524% (0.65  10.0  1.00   4.30 102.67) =  53.776%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.33 +/- 0.35  38.109% * 57.4671% (0.90  10.0 10.00   4.66 102.67) =  46.221%  kept
        T HG    LEU   67 - QD1   LEU   40   6.74 +/- 1.92   0.356% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   LEU  115 - QD1   LEU   40  12.06 +/- 1.74   0.002% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   40   9.57 +/- 1.30   0.010% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   7.58 +/- 1.33   0.047% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  10.08 +/- 0.89   0.006% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  12.54 +/- 1.85   0.002% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  11.63 +/- 0.85   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 = 0.959, support = 4.44, residual support = 100.7:
      O T QD1   LEU   40 - HB2   LEU   40   2.74 +/- 0.46  62.373% * 92.1745% (1.00  10.0 10.00   4.44 102.67) =  95.505%  kept
      O   QD2   LEU   67 - HB2   LEU   67   3.08 +/- 0.29  35.484% *  7.6201% (0.08  10.0  1.00   4.39  58.98) =   4.492%  kept
        T QD1   LEU   40 - HB2   LEU   67   6.34 +/- 1.81   1.694% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   67 - HB2   LEU   40   7.33 +/- 1.38   0.446% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB2   LEU   40  16.60 +/- 0.63   0.001% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.36 +/- 1.91   0.002% *  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 = 4.66, residual support = 102.7:
      O T QD1   LEU   40 - HB3   LEU   40   2.33 +/- 0.35  99.583% * 99.7412% (1.00  10.0 10.00   4.66 102.67) = 100.000%  kept
          QD2   LEU   67 - HB3   LEU   40   7.02 +/- 1.67   0.345% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   40 - HB3   LEU  115  12.06 +/- 1.74   0.011% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   8.83 +/- 0.61   0.055% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  13.31 +/- 2.26   0.005% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  16.31 +/- 0.60   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.867, support = 4.07, residual support = 102.6:
      O T QD2   LEU   40 - HG    LEU   40   2.11 +/- 0.01  82.678% * 96.1741% (0.87  10.0 10.00   4.08 102.67) =  99.978%  kept
        T QD1   LEU   67 - HG    LEU   40   7.00 +/- 2.38   1.686% *  0.9261% (0.84   1.0 10.00   0.02   0.02) =   0.020%
          QD1   ILE  119 - HG    LEU  115   4.48 +/- 1.32  11.336% *  0.0112% (0.10   1.0  1.00   0.02   9.06) =   0.002%
          QD2   LEU   71 - HG    LEU   73   5.32 +/- 1.13   4.082% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU   73   8.94 +/- 1.27   0.023% *  0.1793% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU   73   9.14 +/- 1.43   0.021% *  0.1727% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   40   8.25 +/- 0.71   0.026% *  0.0805% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  12.26 +/- 2.00   0.004% *  0.5362% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   40   7.43 +/- 0.68   0.049% *  0.0194% (0.18   1.0  1.00   0.02   1.78) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  13.56 +/- 1.97   0.001% *  0.5568% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.73 +/- 0.74   0.044% *  0.0179% (0.16   1.0  1.00   0.02   0.35) =   0.000%
          QD1   ILE  119 - HG    LEU   40  10.32 +/- 2.44   0.026% *  0.0194% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  16.01 +/- 0.85   0.000% *  0.6725% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  15.63 +/- 1.56   0.001% *  0.3893% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   9.14 +/- 0.57   0.014% *  0.0125% (0.11   1.0  1.00   0.02  40.40) =   0.000%
          HB    VAL   75 - HG    LEU   40  14.57 +/- 1.22   0.001% *  0.0962% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.57 +/- 1.54   0.002% *  0.0466% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  12.44 +/- 1.00   0.002% *  0.0150% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  16.39 +/- 1.98   0.001% *  0.0557% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  12.95 +/- 1.77   0.003% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.23 +/- 1.39   0.000% *  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 = 0.865, support = 3.88, residual support = 74.5:
      O T QG2   VAL   41 - QG1   VAL   41   2.08 +/- 0.03  88.381% * 95.4201% (0.87  10.0 10.00   3.89  74.66) =  99.733%  kept
          QD2   LEU   98 - QG1   VAL   41   3.07 +/- 0.32  10.584% *  2.1134% (0.69   1.0  1.00   0.56  29.79) =   0.265%
        T QD1   LEU   73 - QG1   VAL   41   5.35 +/- 0.75   0.468% *  0.3395% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   63 - QG2   VAL   18   6.61 +/- 0.61   0.100% *  0.2595% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.28 +/- 0.62   0.057% *  0.2595% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QG2   VAL   18   9.37 +/- 0.82   0.013% *  0.7292% (0.66   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   6.25 +/- 0.92   0.187% *  0.0406% (0.04   1.0 10.00   0.02   8.47) =   0.000%
          QD2   LEU   63 - QG2   VAL   18   7.13 +/- 0.69   0.068% *  0.0754% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.43 +/- 0.92   0.012% *  0.3395% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   7.58 +/- 0.98   0.056% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   9.34 +/- 1.20   0.015% *  0.0987% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  11.05 +/- 1.16   0.005% *  0.0577% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18  11.32 +/- 1.68   0.005% *  0.0577% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.51 +/- 1.29   0.015% *  0.0182% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  12.61 +/- 2.24   0.002% *  0.0756% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   9.07 +/- 1.63   0.026% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.97 +/- 1.02   0.005% *  0.0182% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  17.18 +/- 1.95   0.000% *  0.0406% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 1.46, residual support = 9.41:
          QB    ALA   34 - QG2   VAL   41   2.82 +/- 0.63  99.428% * 83.7397% (0.18   1.46   9.41) =  99.986%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.86 +/- 0.57   0.367% *  1.2992% (0.20   0.02   0.02) =   0.006%
          QG2   THR   77 - QG2   VAL   41  11.08 +/- 0.61   0.050% *  6.2104% (0.95   0.02   0.02) =   0.004%
          HG2   LYS+  38 - QG2   VAL   41   9.32 +/- 0.67   0.109% *  1.8254% (0.28   0.02   0.02) =   0.002%
          QG2   THR   23 - QG2   VAL   41  11.67 +/- 0.85   0.035% *  2.9434% (0.45   0.02   0.02) =   0.001%
          QB    ALA   88 - QG2   VAL   41  14.75 +/- 2.03   0.010% *  3.9820% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 2.85, residual support = 29.8:
        T QB    LEU   98 - QG2   VAL   41   3.19 +/- 0.45  87.651% * 95.8151% (0.34 10.00   2.85  29.79) =  99.985%  kept
          HG    LEU   73 - QG2   VAL   41   4.90 +/- 0.84  11.314% *  0.0867% (0.31  1.00   0.02   0.02) =   0.012%
          HG12  ILE   19 - QG2   VAL   41   8.63 +/- 1.25   0.422% *  0.2803% (1.00  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   80 - QG2   VAL   41  12.64 +/- 2.32   0.032% *  2.2492% (0.80 10.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QG2   VAL   41  10.69 +/- 1.29   0.091% *  0.1929% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   41   9.25 +/- 0.78   0.252% *  0.0625% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   41  10.67 +/- 0.54   0.079% *  0.1704% (0.61  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   VAL   41  12.20 +/- 2.82   0.047% *  0.2711% (0.97  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   41  12.22 +/- 0.69   0.044% *  0.2346% (0.84  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   41  13.53 +/- 1.50   0.022% *  0.1817% (0.65  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   VAL   41  14.52 +/- 0.83   0.011% *  0.2753% (0.98  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  13.53 +/- 0.67   0.019% *  0.1367% (0.49  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  15.58 +/- 2.00   0.017% *  0.0433% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 1 structures by 0.23 A, kept.
 
    Peak 2574 (8.98, 0.55, 21.65 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QG2   VAL   41  10.87 +/- 0.88 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 2.95 A violated in 20 structures by 7.92 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.52, residual support = 74.7:
      O   HN    VAL   41 - HB    VAL   41   2.90 +/- 0.39 100.000% *100.0000% (0.47  10.0   4.52  74.66) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 2.87, residual support = 29.8:
          HN    LEU   98 - QG1   VAL   41   3.84 +/- 0.45  82.902% * 99.4325% (0.98   2.87  29.79) =  99.992%  kept
          HN    LEU   98 - QD2   LEU  104   5.63 +/- 1.08  17.005% *  0.0373% (0.05   0.02   8.47) =   0.008%
          HN    LEU   98 - QG2   VAL   18  11.86 +/- 0.91   0.093% *  0.5302% (0.75   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 1 structures by 0.23 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.565, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  11.63 +/- 0.97  48.937% * 34.1212% (0.66   0.02   0.02) =  67.704%  kept
          QE    PHE   59 - HB    VAL   41  12.37 +/- 2.22  40.036% * 12.0603% (0.23   0.02   0.02) =  19.578%  kept
          HN    LYS+  66 - HB    VAL   41  15.56 +/- 0.54   8.748% * 29.5320% (0.57   0.02   0.02) =  10.474%  kept
          HN    LYS+  81 - HB    VAL   41  20.28 +/- 1.88   2.279% * 24.2865% (0.47   0.02   0.02) =   2.244%  kept
    Distance limit 3.61 A violated in 20 structures by 6.60 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.12, residual support = 23.9:
      O   HN    VAL   42 - HA    VAL   41   2.20 +/- 0.02  99.829% * 99.8070% (0.98  10.0   5.12  23.94) = 100.000%  kept
          HN    LEU   73 - HA    VAL   41   6.54 +/- 0.31   0.151% *  0.0998% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HA    VAL   41   9.38 +/- 0.55   0.018% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  13.01 +/- 0.36   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 = 40.1:
      O   HN    VAL   43 - HA    VAL   42   2.21 +/- 0.02  99.999% * 99.9765% (0.90  10.0   5.07  40.12) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  17.71 +/- 1.69   0.001% *  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 = 0.338, support = 0.0198, residual support = 0.0198:
          QD2   LEU   31 - QG2   VAL   41   2.56 +/- 0.94  99.689% * 16.0745% (0.34   0.02   0.02) =  99.217%  kept
          QG2   VAL   83 - QG2   VAL   41   9.68 +/- 2.68   0.203% * 37.7342% (0.80   0.02   0.02) =   0.475%
          QD1   ILE   89 - QG2   VAL   41  11.52 +/- 1.97   0.108% * 46.1912% (0.98   0.02   0.02) =   0.308%
    Distance limit 2.93 A violated in 2 structures by 0.24 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 = 0.728, support = 3.57, residual support = 19.0:
        T HB    VAL   41 - HB    VAL   42   5.96 +/- 0.27  11.014% * 93.1741% (0.84 10.00   4.18  23.94) =  73.661%  kept
          HB2   LEU   71 - HB    VAL   42   4.21 +/- 0.23  84.597% *  4.3335% (0.42  1.00   1.84   5.27) =  26.313%  kept
        T QB    LYS+ 102 - HB    VAL   42  12.39 +/- 1.21   0.159% *  0.6246% (0.56 10.00   0.02   0.02) =   0.007%
          HG2   PRO   93 - HB2   LYS+ 112   9.87 +/- 1.77   1.486% *  0.0591% (0.53  1.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - HB    VAL   42   9.60 +/- 0.52   0.667% *  0.0963% (0.87  1.00   0.02   0.02) =   0.005%
          HB3   PRO   52 - HB2   LYS+ 112  10.71 +/- 2.06   1.088% *  0.0413% (0.37  1.00   0.02   0.02) =   0.003%
          HG12  ILE  103 - HB    VAL   42  10.45 +/- 0.68   0.388% *  0.0837% (0.75  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB    VAL   42  11.21 +/- 0.51   0.265% *  0.0508% (0.46  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB    VAL   42  14.88 +/- 2.64   0.122% *  0.0586% (0.53  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   LYS+ 112  14.86 +/- 1.87   0.057% *  0.0680% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   42  15.83 +/- 0.66   0.031% *  0.0837% (0.75  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   LYS+ 112  14.65 +/- 1.77   0.063% *  0.0413% (0.37  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LYS+ 112  23.39 +/- 1.98   0.003% *  0.6576% (0.59 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   LYS+ 112  15.66 +/- 1.91   0.040% *  0.0358% (0.32  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HB2   LYS+ 112  23.27 +/- 1.44   0.003% *  0.4408% (0.40 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB    VAL   42  19.80 +/- 1.25   0.009% *  0.0586% (0.53  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LYS+ 112  22.25 +/- 1.59   0.004% *  0.0591% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   LYS+ 112  23.83 +/- 2.14   0.003% *  0.0332% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 8 structures by 0.91 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.04, residual support = 81.6:
          HN    VAL   42 - QG2   VAL   42   3.27 +/- 0.28  76.228% * 77.6395% (0.64   5.34  88.32) =  92.217%  kept
          HN    LEU   73 - QG2   VAL   42   4.51 +/- 1.17  22.690% * 22.0061% (0.64   1.51   1.54) =   7.780%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.34 +/- 0.98   0.554% *  0.2909% (0.64   0.02   0.02) =   0.003%
          HN    ILE   19 - QG2   VAL   42   7.41 +/- 1.12   0.529% *  0.0636% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.15, residual support = 40.1:
          HN    VAL   43 - QG2   VAL   42   3.52 +/- 0.28 100.000% *100.0000% (0.72   5.15  40.12) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.961, support = 3.99, residual support = 87.8:
      O T HA    VAL   42 - QG1   VAL   42   2.59 +/- 0.30  84.773% * 91.4847% (0.97  10.0 10.00   4.00  88.32) =  99.291%  kept
          HA    THR   46 - QB    ALA   47   3.77 +/- 0.08  10.105% *  5.4631% (0.44   1.0  1.00   2.63  12.67) =   0.707%  kept
          HA    GLN   90 - QB    ALA   47   5.57 +/- 1.17   4.918% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   17 - QG1   VAL   42   8.81 +/- 0.73   0.074% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.001%
        T HA    PHE   55 - QB    ALA   47  10.19 +/- 1.19   0.038% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  13.99 +/- 1.66   0.006% *  0.5179% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.75 +/- 0.22   0.003% *  0.7900% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42  10.20 +/- 0.64   0.030% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47  10.57 +/- 1.88   0.032% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  17.39 +/- 0.77   0.001% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  12.23 +/- 1.85   0.013% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  13.42 +/- 0.37   0.005% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  15.84 +/- 0.69   0.002% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.83 +/- 0.56   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 = 0.917, support = 1.84, residual support = 5.55:
          QD    PHE   60 - QG1   VAL   42   4.22 +/- 1.09  69.587% * 89.6281% (0.93   1.87   5.68) =  97.606%  kept
          QE    PHE   59 - QG1   VAL   42   5.65 +/- 1.94  22.865% *  6.4432% (0.33   0.38   0.02) =   2.306%  kept
          HN    LYS+  66 - QG1   VAL   42   7.93 +/- 0.47   2.927% *  0.8277% (0.81   0.02   0.02) =   0.038%
          QD    PHE   60 - QB    ALA   47   9.36 +/- 0.75   2.748% *  0.8258% (0.80   0.02   0.02) =   0.036%
          HN    LYS+  81 - QB    ALA   47   8.81 +/- 1.29   1.327% *  0.5878% (0.57   0.02   0.02) =   0.012%
          QE    PHE   59 - QB    ALA   47  11.38 +/- 0.99   0.468% *  0.2919% (0.28   0.02   0.02) =   0.002%
          HN    LYS+  81 - QG1   VAL   42  15.88 +/- 1.02   0.049% *  0.6807% (0.66   0.02   0.02) =   0.001%
          HN    LYS+  66 - QB    ALA   47  18.07 +/- 0.62   0.029% *  0.7148% (0.70   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 8 structures by 1.07 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 4.16, residual support = 64.1:
          HN    VAL   42 - QG1   VAL   42   3.53 +/- 0.18  29.413% * 84.8877% (0.77   5.42  88.32) =  72.119%  kept
          HN    LEU   73 - QG1   VAL   42   3.05 +/- 1.07  69.634% * 13.8597% (0.77   0.88   1.54) =  27.877%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.84 +/- 0.77   0.279% *  0.3133% (0.77   0.02   0.02) =   0.003%
          HN    ILE   19 - QG1   VAL   42   6.33 +/- 0.91   0.646% *  0.0685% (0.17   0.02   0.02) =   0.001%
          HN    LEU   73 - QB    ALA   47  13.11 +/- 0.33   0.013% *  0.2705% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.80 +/- 0.26   0.004% *  0.2705% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  16.24 +/- 0.57   0.004% *  0.2705% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  14.56 +/- 0.64   0.007% *  0.0592% (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 = 5.15, residual support = 40.1:
          HN    VAL   43 - QG1   VAL   42   2.91 +/- 0.27  99.960% * 99.3968% (0.40   5.15  40.12) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  13.05 +/- 0.21   0.014% *  0.3333% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  13.14 +/- 1.21   0.015% *  0.1251% (0.13   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  13.48 +/- 1.39   0.012% *  0.1448% (0.15   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   8.21 +/- 0.91  99.199% * 53.6601% (0.43   0.02   0.02) =  99.308%  kept
          HN    LEU  104 - QB    ALA   47  18.71 +/- 0.65   0.801% * 46.3399% (0.37   0.02   0.02) =   0.692%  kept
    Distance limit 3.69 A violated in 20 structures by 4.50 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.75, residual support = 14.7:
          HN    TRP   49 - QB    ALA   47   2.60 +/- 0.23  99.495% * 95.0815% (0.29   3.75  14.71) =  99.995%  kept
          HE22  GLN   30 - QG1   VAL   42   7.63 +/- 1.12   0.335% *  0.9138% (0.53   0.02   0.02) =   0.003%
          HD22  ASN   69 - QG1   VAL   42   9.34 +/- 1.41   0.165% *  1.0511% (0.61   0.02   0.02) =   0.002%
          HE22  GLN   30 - QB    ALA   47  15.92 +/- 1.41   0.003% *  1.1930% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.84 +/- 0.68   0.002% *  0.3884% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  23.06 +/- 1.11   0.000% *  1.3723% (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 = 0.391, support = 2.36, residual support = 11.0:
      O   HN    ALA   47 - QB    ALA   47   2.48 +/- 0.13  92.648% * 93.4110% (0.39  10.0   2.36  11.04) =  99.470%  kept
          QD    PHE   95 - QG1   VAL   42   4.23 +/- 0.81   7.314% *  6.2982% (0.70   1.0   0.75   1.44) =   0.529%  kept
          QD    PHE   95 - QB    ALA   47   9.64 +/- 0.83   0.031% *  0.2193% (0.91   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  12.05 +/- 0.65   0.008% *  0.0715% (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 = 0.595, support = 3.4, residual support = 28.7:
          HB    VAL   42 - QG1   VAL   43   5.45 +/- 0.73   6.192% * 66.1064% (0.62  1.00   4.73  40.12) =  61.796%  kept
        T HB3   LEU   73 - QG1   VAL   43   4.51 +/- 1.49  50.160% *  3.1105% (0.69 10.00   0.02   7.90) =  23.556%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.43 +/- 0.72   3.108% * 27.7830% (0.34  1.00   3.64  15.48) =  13.036%  kept
          HG    LEU   98 - QG1   VAL   43   4.95 +/- 1.63  38.853% *  0.2633% (0.58  1.00   0.02   0.02) =   1.544%  kept
          HG3   LYS+ 106 - QG1   VAL   43   8.39 +/- 1.04   0.510% *  0.3850% (0.85  1.00   0.02   0.02) =   0.030%
          QB    ALA   84 - QG1   VAL   43   9.57 +/- 1.55   0.259% *  0.3111% (0.69  1.00   0.02   0.02) =   0.012%
          HB3   PRO   93 - QG1   VAL   43  10.49 +/- 1.08   0.161% *  0.3259% (0.72  1.00   0.02   0.02) =   0.008%
          HG3   LYS+  33 - QG1   VAL   43  10.08 +/- 0.97   0.143% *  0.2469% (0.54  1.00   0.02   0.02) =   0.005%
          HB3   LEU   80 - QG1   VAL   43   9.51 +/- 2.59   0.353% *  0.0805% (0.18  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - QG1   VAL   43  11.47 +/- 1.52   0.085% *  0.3259% (0.72  1.00   0.02   0.02) =   0.004%
          HB2   LEU   63 - QG1   VAL   43  10.16 +/- 0.84   0.138% *  0.1132% (0.25  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG1   VAL   43  14.63 +/- 0.72   0.015% *  0.2796% (0.62  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QG1   VAL   43  15.60 +/- 1.50   0.011% *  0.2141% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QG1   VAL   43  17.53 +/- 1.56   0.006% *  0.3531% (0.78  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  17.26 +/- 1.83   0.009% *  0.1015% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.293, support = 1.56, residual support = 8.31:
        T HH2   TRP   27 - QG1   VAL   43   2.69 +/- 0.58  85.463% * 47.9291% (0.31 10.00   1.35   8.31) =  84.403%  kept
        T HZ3   TRP   27 - QG1   VAL   43   3.80 +/- 0.45  14.537% * 52.0709% (0.22 10.00   2.69   8.31) =  15.597%  kept
    Distance limit 2.90 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.22, residual support = 60.6:
          HN    VAL   43 - QG1   VAL   43   2.87 +/- 0.56 100.000% *100.0000% (0.80   5.22  60.56) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.384, support = 3.66, residual support = 15.5:
          HN    ASP-  44 - QG2   VAL   43   3.02 +/- 0.39  87.241% * 81.3427% (0.39   3.71  15.48) =  97.645%  kept
          HN    ASN   28 - QD2   LEU   31   4.72 +/- 0.76  10.034% * 16.9507% (0.18   1.65  17.86) =   2.340%  kept
          HN    ASN   28 - QG2   VAL   43   7.35 +/- 1.09   1.197% *  0.7156% (0.63   0.02   0.02) =   0.012%
          HN    ASP-  44 - QD2   LEU   31   6.84 +/- 0.86   1.120% *  0.1259% (0.11   0.02   0.02) =   0.002%
          HN    GLU-  25 - QG2   VAL   43   9.81 +/- 1.27   0.143% *  0.4078% (0.36   0.02   0.02) =   0.001%
          HN    GLU-  25 - QD2   LEU   31   8.48 +/- 0.71   0.225% *  0.1170% (0.10   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  13.81 +/- 0.90   0.016% *  0.2644% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  12.76 +/- 1.21   0.025% *  0.0759% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.24, residual support = 60.6:
      O   HN    VAL   43 - HB    VAL   43   2.68 +/- 0.19 100.000% *100.0000% (0.87  10.0   4.24  60.56) = 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   3.26 +/- 0.64 100.000% *100.0000% (0.51   1.50  16.40) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.42, residual support = 19.4:
        T QD    PHE   45 - HB3   ASP-  44   4.49 +/- 0.09 100.000% *100.0000% (0.80 10.00   4.42  19.37) = 100.000%  kept
    Distance limit 3.75 A violated in 1 structures by 0.74 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.71, residual support = 38.0:
      O   HN    ASP-  44 - HB3   ASP-  44   3.42 +/- 0.34  99.966% * 99.8560% (0.98  10.0   3.71  37.97) = 100.000%  kept
          HN    GLU-  25 - HB3   ASP-  44  15.92 +/- 1.48   0.011% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASP-  44  13.94 +/- 1.03   0.023% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.12, residual support = 6.12:
          HA    LYS+  74 - HB2   ASP-  44   3.53 +/- 0.39  99.890% * 92.4436% (0.92  1.00   2.12   6.12) =  99.991%  kept
        T HA    MET   92 - HB2   ASP-  44  11.94 +/- 0.71   0.110% *  7.5564% (0.80 10.00   0.02   0.02) =   0.009%
    Distance limit 3.89 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.13, residual support = 38.0:
      O   HN    ASP-  44 - HB2   ASP-  44   2.57 +/- 0.16  99.992% * 99.8560% (0.98  10.0   3.13  37.97) = 100.000%  kept
          HN    ASN   28 - HB2   ASP-  44  13.17 +/- 0.70   0.006% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   ASP-  44  15.40 +/- 1.11   0.002% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.496, support = 3.91, residual support = 28.9:
      O   HN    ASP-  44 - HA    ASP-  44   2.92 +/- 0.00  18.719% * 81.9551% (0.80  10.0   3.78  37.97) =  51.294%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.28 +/- 0.02  81.269% * 17.9245% (0.18  10.0   4.04  19.37) =  48.706%  kept
          HN    ALA  110 - HA    ASP-  44  10.84 +/- 2.08   0.012% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  15.62 +/- 1.24   0.001% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 4.55:
          HA    PHE   95 - HA    ASP-  44   2.76 +/- 0.48 100.000% *100.0000% (0.87   2.00   4.55) = 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 = 27.2:
        T HB    THR   94 - HB2   PHE   45   2.89 +/- 0.66  99.643% * 98.9931% (0.65 10.00   2.96  27.21) = 100.000%  kept
          QB    SER   48 - HB2   PHE   45  10.72 +/- 0.68   0.095% *  0.1169% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PHE   45  11.99 +/- 1.64   0.056% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45  10.72 +/- 1.40   0.088% *  0.0522% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45  11.35 +/- 1.76   0.082% *  0.0268% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.42 +/- 1.21   0.019% *  0.0745% (0.49  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  18.64 +/- 1.00   0.002% *  0.1413% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  15.06 +/- 0.90   0.008% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  19.97 +/- 1.21   0.001% *  0.1448% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  21.29 +/- 0.83   0.001% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.70 +/- 1.41   0.002% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  19.50 +/- 1.10   0.002% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 1.83, residual support = 9.35:
          QG2   THR   77 - HB2   PHE   45   3.69 +/- 0.79  93.796% * 94.3277% (0.45   1.83   9.36) =  99.933%  kept
          QG2   ILE   56 - HB2   PHE   45   7.54 +/- 1.94   5.232% *  1.0281% (0.45   0.02   0.02) =   0.061%
          QB    ALA   88 - HB2   PHE   45  10.14 +/- 1.66   0.839% *  0.3538% (0.15   0.02   0.02) =   0.003%
          QG2   THR   23 - HB2   PHE   45  12.83 +/- 1.52   0.068% *  2.1693% (0.95   0.02   0.02) =   0.002%
          QB    ALA   34 - HB2   PHE   45  14.17 +/- 0.54   0.063% *  1.4835% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB2   PHE   45  24.25 +/- 1.16   0.002% *  0.6376% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 2 structures by 0.25 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 5.27:
        T QG2   ILE   89 - HB2   PHE   45   4.52 +/- 1.78  94.481% * 99.8023% (1.00 10.00   0.75   5.27) =  99.992%  kept
          QG1   VAL   83 - HB2   PHE   45   9.00 +/- 2.27   4.390% *  0.1510% (0.57  1.00   0.02   5.08) =   0.007%
          QD1   LEU  104 - HB2   PHE   45  15.46 +/- 1.01   1.128% *  0.0467% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 7 structures by 1.05 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 9.36:
          QG2   THR   77 - HB3   PHE   45   2.61 +/- 0.74  99.465% * 96.7442% (0.87   2.25   9.36) =  99.996%  kept
          QB    ALA   88 - HB3   PHE   45   9.79 +/- 1.45   0.311% *  0.9826% (0.99   0.02   0.02) =   0.003%
          HB3   LEU   80 - HB3   PHE   45   8.90 +/- 1.86   0.208% *  0.1962% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   PHE   45  15.91 +/- 1.68   0.007% *  0.3721% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  15.56 +/- 1.04   0.008% *  0.3060% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  21.19 +/- 0.74   0.001% *  0.6413% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  24.85 +/- 0.38   0.000% *  0.7576% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 1 structures by 0.13 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 5.27:
        T QG2   ILE   89 - HB3   PHE   45   3.97 +/- 1.53 100.000% *100.0000% (0.69 10.00   0.75   5.27) = 100.000%  kept
    Distance limit 3.49 A violated in 1 structures by 0.66 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.32, residual support = 80.8:
      O   QD    PHE   45 - HB2   PHE   45   2.64 +/- 0.11  99.995% * 99.6976% (0.65  10.0   4.32  80.77) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  15.26 +/- 1.46   0.003% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  19.30 +/- 1.90   0.001% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  20.82 +/- 1.36   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 = 80.8:
      O   HN    PHE   45 - HB2   PHE   45   2.49 +/- 0.37  99.434% * 99.8082% (0.73  10.0   3.68  80.77) = 100.000%  kept
          HN    ASP-  44 - HB2   PHE   45   6.18 +/- 0.35   0.513% *  0.0306% (0.22   1.0   0.02  19.37) =   0.000%
          HN    ALA  110 - HB2   PHE   45  10.02 +/- 2.09   0.047% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  15.19 +/- 1.40   0.005% *  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 = 5.04, residual support = 80.8:
      O   QD    PHE   45 - HB3   PHE   45   2.39 +/- 0.15  99.998% * 99.6976% (0.65  10.0   5.04  80.77) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  16.47 +/- 1.35   0.001% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  20.42 +/- 2.04   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  20.82 +/- 1.48   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 = 4.0, residual support = 80.8:
      O   HN    PHE   45 - HB3   PHE   45   3.44 +/- 0.37  97.750% * 99.8082% (0.73  10.0   4.00  80.77) =  99.999%  kept
          HN    ASP-  44 - HB3   PHE   45   6.66 +/- 0.14   2.070% *  0.0306% (0.22   1.0   0.02  19.37) =   0.001%
          HN    ALA  110 - HB3   PHE   45  11.02 +/- 2.16   0.157% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   PHE   45  14.41 +/- 1.16   0.023% *  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 = 1.21, residual support = 3.95:
          HA    ASP-  76 - QG2   THR   46   3.84 +/- 1.39 100.000% *100.0000% (0.41   1.21   3.95) = 100.000%  kept
    Distance limit 3.28 A violated in 10 structures by 0.95 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   2.58 +/- 0.33  99.160% * 97.6984% (0.76   3.39  34.51) =  99.995%  kept
          HN    LYS+  74 - QG2   THR   46   6.73 +/- 0.68   0.481% *  0.7550% (1.00   0.02   0.12) =   0.004%
          HN    MET   92 - QG2   THR   46   7.72 +/- 1.36   0.346% *  0.4275% (0.57   0.02   0.02) =   0.002%
          HN    LYS+ 112 - QG2   THR   46  13.28 +/- 1.67   0.012% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  26.20 +/- 2.59   0.000% *  0.6307% (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 = 12.6:
          HN    ALA   47 - QG2   THR   46   3.69 +/- 0.32  89.568% * 97.9531% (0.25   3.21  12.67) =  99.757%  kept
          QD    PHE   95 - QG2   THR   46   6.56 +/- 1.60  10.432% *  2.0469% (0.84   0.02   0.02) =   0.243%
    Distance limit 3.82 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.291, support = 0.532, residual support = 0.239:
          QE    LYS+  74 - QG2   THR   46   3.19 +/- 0.82  87.822% * 14.0183% (0.28   0.20   0.12) =  57.942%  kept
          QB    CYS   50 - QG2   THR   46   5.27 +/- 0.74  11.802% * 75.5836% (0.31   0.99   0.40) =  41.982%  kept
          HB2   PHE   72 - QG2   THR   46   9.49 +/- 1.00   0.286% *  4.9504% (1.00   0.02   0.02) =   0.067%
          HA    ALA   64 - QG2   THR   46  11.21 +/- 0.93   0.086% *  2.0397% (0.41   0.02   0.02) =   0.008%
          HB3   ASN   69 - QG2   THR   46  18.55 +/- 0.84   0.004% *  3.4080% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.11 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 = 9.44:
      O   HN    SER   48 - HA    SER   48   2.74 +/- 0.04  99.993% * 99.9333% (0.49  10.0   2.61   9.44) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  14.12 +/- 1.15   0.006% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  24.51 +/- 0.79   0.000% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 2.52, residual support = 9.44:
      O   HN    SER   48 - QB    SER   48   2.26 +/- 0.13  99.996% * 99.9496% (0.95  10.0   2.52   9.44) = 100.000%  kept
          HN    SER   48 - QB    SER   85  12.69 +/- 1.07   0.004% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  21.39 +/- 1.43   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 = 4.0, residual support = 86.7:
      O   HN    TRP   49 - HB2   TRP   49   3.08 +/- 0.35  87.758% * 99.8654% (0.95  10.0   4.00  86.70) =  99.998%  kept
          HN    CYS   50 - HB2   TRP   49   4.35 +/- 0.33  12.241% *  0.0163% (0.15   1.0   0.02   2.56) =   0.002%
          HE22  GLN   30 - HB2   TRP   49  23.65 +/- 1.75   0.001% *  0.0975% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  32.45 +/- 1.41   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 = 4.62, residual support = 86.7:
      O   HD1   TRP   49 - HB2   TRP   49   2.86 +/- 0.27  99.995% * 99.6923% (0.80  10.0   4.62  86.70) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  16.90 +/- 1.62   0.003% *  0.1149% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  18.81 +/- 1.03   0.001% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  26.38 +/- 0.53   0.000% *  0.0558% (0.45   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  33.03 +/- 1.64   0.000% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.779, support = 3.98, residual support = 85.3:
      O   HN    TRP   49 - HB3   TRP   49   3.55 +/- 0.26  60.966% * 97.3227% (0.79  10.0   4.00  86.70) =  98.343%  kept
          HN    CYS   50 - HB3   TRP   49   3.89 +/- 0.61  39.033% *  2.5619% (0.13   1.0   3.23   2.56) =   1.657%  kept
          HE22  GLN   30 - HB3   TRP   49  24.08 +/- 1.71   0.001% *  0.0950% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  32.35 +/- 1.43   0.000% *  0.0204% (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 = 4.62, residual support = 86.7:
      O   HD1   TRP   49 - HB3   TRP   49   3.83 +/- 0.07  99.980% * 99.6923% (0.67  10.0   4.62  86.70) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  17.66 +/- 1.82   0.013% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  19.57 +/- 0.84   0.006% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  26.27 +/- 0.80   0.001% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  33.27 +/- 1.81   0.000% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.723, support = 0.02, residual support = 1.31:
          HB2   PRO   52 - HB3   TRP   49  10.14 +/- 1.32  97.786% * 45.9163% (0.72   0.02   1.33) =  98.608%  kept
          HB2   ASP-  62 - HB3   TRP   49  21.79 +/- 0.87   1.199% * 45.9163% (0.72   0.02   0.02) =   1.209%  kept
          HG2   MET   96 - HB3   TRP   49  22.42 +/- 0.98   1.015% *  8.1674% (0.13   0.02   0.02) =   0.182%
    Distance limit 3.79 A violated in 20 structures by 6.33 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.466, support = 0.0199, residual support = 0.0199:
          HB3   PHE   45 - HB3   TRP   49  12.63 +/- 0.61  47.294% * 16.1708% (0.47   0.02   0.02) =  48.804%  kept
          QG    GLU-  79 - HB3   TRP   49  13.60 +/- 1.79  36.005% * 13.9029% (0.41   0.02   0.02) =  31.944%  kept
          QE    LYS+ 112 - HB3   TRP   49  16.44 +/- 1.96  12.969% * 16.1708% (0.47   0.02   0.02) =  13.383%  kept
          HB    VAL  107 - HB3   TRP   49  19.93 +/- 0.90   3.083% * 27.0190% (0.79   0.02   0.02) =   5.315%  kept
          QG    GLN   32 - HB3   TRP   49  29.05 +/- 0.94   0.324% * 22.8711% (0.67   0.02   0.02) =   0.473%
          HG2   GLU-  29 - HB3   TRP   49  28.95 +/- 0.55   0.325% *  3.8655% (0.11   0.02   0.02) =   0.080%
    Distance limit 3.85 A violated in 20 structures by 7.23 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.55, residual support = 6.82:
          QB    ALA   47 - QB    CYS   50   3.03 +/- 0.72  99.860% * 98.7983% (0.65   3.55   6.82) =  99.999%  kept
          QB    ALA   64 - QB    CYS   50  12.67 +/- 1.16   0.054% *  0.5570% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   42 - QB    CYS   50  12.48 +/- 1.00   0.045% *  0.4530% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QB    CYS   50  12.78 +/- 1.83   0.041% *  0.1917% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 1.5, residual support = 8.2:
        T HB2   CYS   53 - QB    CYS   50   2.42 +/- 0.65  96.735% * 99.5977% (1.00 10.00   1.50   8.20) =  99.997%  kept
          HD3   PRO   52 - QB    CYS   50   4.89 +/- 0.94   3.170% *  0.0966% (0.73  1.00   0.02   0.02) =   0.003%
          HD2   PRO   58 - QB    CYS   50   9.38 +/- 1.38   0.088% *  0.0648% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYS   50  15.25 +/- 1.36   0.003% *  0.0547% (0.41  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  21.25 +/- 1.13   0.001% *  0.1066% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  16.35 +/- 1.32   0.002% *  0.0296% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.75 +/- 1.03   0.000% *  0.0500% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.798, support = 1.44, residual support = 6.92:
      O   HN    CYS   50 - QB    CYS   50   2.85 +/- 0.38  89.860% * 87.5314% (0.80  10.0   1.43   6.99) =  98.431%  kept
          HN    TRP   49 - QB    CYS   50   4.26 +/- 0.38  10.130% * 12.3782% (0.65   1.0   2.50   2.56) =   1.569%  kept
          HN    VAL   83 - QB    CYS   50  14.31 +/- 1.26   0.007% *  0.0523% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  18.12 +/- 1.33   0.002% *  0.0382% (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 = 9.91:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.989% * 97.0144% (0.87  10.0 10.00   2.81   9.91) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   9.00 +/- 1.25   0.011% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  17.89 +/- 1.93   0.000% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  18.79 +/- 1.40   0.000% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  14.45 +/- 1.20   0.000% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  16.42 +/- 1.06   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  23.27 +/- 2.01   0.000% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  24.93 +/- 1.48   0.000% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  26.66 +/- 1.76   0.000% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  27.63 +/- 2.28   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 = 0.972, support = 1.93, residual support = 18.4:
          HD3   PRO   93 - HB2   PRO   52   4.96 +/- 2.82  54.488% * 12.9303% (0.98   0.75   0.70) =  46.832%  kept
          HB3   CYS   53 - HB2   PRO   52   5.88 +/- 0.68   6.444% * 77.6887% (0.99   4.46  54.15) =  33.278%  kept
          QB    PHE   55 - HB2   PRO   52   4.57 +/- 0.34  37.877% *  7.8909% (0.92   0.49   0.22) =  19.867%  kept
          HD2   ARG+  54 - HB2   PRO   52   9.06 +/- 0.89   0.913% *  0.3395% (0.97   0.02   1.75) =   0.021%
          HB2   PHE   59 - HB2   PRO   52  11.55 +/- 1.10   0.146% *  0.2416% (0.69   0.02   0.02) =   0.002%
          HD3   PRO   93 - HG2   MET   96  14.41 +/- 0.91   0.041% *  0.1013% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  14.36 +/- 1.09   0.041% *  0.0710% (0.20   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  16.16 +/- 1.69   0.018% *  0.1024% (0.29   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  16.73 +/- 1.32   0.014% *  0.0954% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  17.70 +/- 1.26   0.012% *  0.0997% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  24.54 +/- 1.51   0.002% *  0.3395% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  22.49 +/- 1.64   0.003% *  0.0997% (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 = 0.405, support = 0.964, residual support = 4.03:
        T HD3   PRO   93 - HB3   PRO   52   4.37 +/- 2.31  63.399% * 64.7572% (0.41 10.00   0.72   0.70) =  90.451%  kept
          HB3   CYS   53 - HB3   PRO   52   5.37 +/- 0.81  11.004% * 25.8826% (0.25  1.00   4.74  54.15) =   6.275%  kept
          QB    PHE   55 - HB3   PRO   52   4.56 +/- 0.38  24.878% *  5.9548% (0.53  1.00   0.52   0.22) =   3.264%  kept
        T HD2   ARG+  54 - HB3   PRO   52   9.11 +/- 0.82   0.477% *  0.8674% (0.20 10.00   0.02   1.75) =   0.009%
          HB2   PHE   59 - HB3   PRO   52  11.15 +/- 1.34   0.110% *  0.3510% (0.80  1.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - QB    LYS+  81  17.98 +/- 3.12   0.046% *  0.0995% (0.02 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB3   PRO   52  24.16 +/- 1.82   0.001% *  1.9651% (0.45 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - QB    LYS+  81  14.41 +/- 1.57   0.027% *  0.0207% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  13.87 +/- 1.44   0.042% *  0.0125% (0.03  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  17.24 +/- 1.78   0.012% *  0.0265% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  20.67 +/- 1.54   0.003% *  0.0403% (0.09  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  27.48 +/- 1.07   0.000% *  0.0225% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.319, support = 0.164, residual support = 0.0546:
          QB    ALA  110 - HB2   PRO   52   5.48 +/- 4.26  77.401% *  1.6051% (0.28   0.02   0.02) =  52.683%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.28 +/- 1.36   1.526% * 44.2270% (0.29   0.52   0.14) =  28.622%  kept
          HB3   LEU  115 - HB2   PRO   52  10.98 +/- 2.05   3.024% *  4.8221% (0.84   0.02   0.02) =   6.183%  kept
          HG    LEU   40 - HG2   MET   96   9.57 +/- 1.13   6.061% *  1.4165% (0.25   0.02   0.02) =   3.641%  kept
          HG    LEU  115 - HB2   PRO   52  11.42 +/- 2.34   5.180% *  1.6051% (0.28   0.02   0.02) =   3.526%  kept
          QB    ALA   61 - HB2   PRO   52  13.13 +/- 1.45   2.654% *  2.8101% (0.49   0.02   0.02) =   3.162%  kept
          HG    LEU   73 - HG2   MET   96  10.67 +/- 0.93   1.372% *  1.6366% (0.28   0.02   0.02) =   0.952%  kept
          HB3   LEU  115 - HG2   MET   96  13.73 +/- 1.88   0.456% *  1.4165% (0.25   0.02   0.02) =   0.274%
          QG    LYS+  66 - HB2   PRO   52  19.02 +/- 1.63   0.087% *  4.8221% (0.84   0.02   0.02) =   0.178%
          QB    ALA  110 - HG2   MET   96  12.68 +/- 1.03   0.516% *  0.4715% (0.08   0.02   0.02) =   0.103%
          QB    ALA   61 - HG2   MET   96  14.86 +/- 0.93   0.210% *  0.8255% (0.14   0.02   0.02) =   0.073%
          HG    LEU   67 - HG2   MET   96  15.83 +/- 2.14   0.127% *  1.2315% (0.21   0.02   0.02) =   0.067%
          QG    LYS+  66 - HG2   MET   96  16.73 +/- 1.34   0.106% *  1.4165% (0.25   0.02   0.02) =   0.064%
          HG    LEU   73 - HB2   PRO   52  21.22 +/- 1.46   0.026% *  5.5714% (0.97   0.02   0.02) =   0.061%
          QB    ALA  120 - HG2   MET   96  14.47 +/- 0.84   0.293% *  0.4715% (0.08   0.02   0.02) =   0.059%
          QB    ALA  120 - HB2   PRO   52  17.37 +/- 1.49   0.082% *  1.6051% (0.28   0.02   0.02) =   0.056%
          HG    LEU  115 - HG2   MET   96  14.87 +/- 2.23   0.278% *  0.4715% (0.08   0.02   0.02) =   0.056%
          HB3   LEU   67 - HG2   MET   96  15.83 +/- 2.05   0.091% *  1.0971% (0.19   0.02   0.02) =   0.042%
          HG    LEU   80 - HG2   MET   96  14.80 +/- 3.08   0.186% *  0.5234% (0.09   0.02   0.02) =   0.041%
          HG12  ILE   19 - HG2   MET   96  15.83 +/- 1.50   0.225% *  0.3776% (0.07   0.02   0.02) =   0.036%
          HG    LEU   67 - HB2   PRO   52  23.03 +/- 1.73   0.015% *  4.1921% (0.73   0.02   0.02) =   0.027%
          HG    LEU   40 - HB2   PRO   52  23.37 +/- 1.53   0.013% *  4.8221% (0.84   0.02   0.02) =   0.027%
          HB3   LEU   67 - HB2   PRO   52  23.50 +/- 1.48   0.016% *  3.7346% (0.65   0.02   0.02) =   0.025%
          HG    LEU   80 - HB2   PRO   52  19.92 +/- 2.77   0.028% *  1.7818% (0.31   0.02   0.02) =   0.021%
          HG12  ILE   19 - HB2   PRO   52  23.85 +/- 1.92   0.024% *  1.2853% (0.22   0.02   0.02) =   0.013%
          HG2   LYS+ 102 - HB2   PRO   52  28.85 +/- 2.76   0.003% *  5.7603% (1.00   0.02   0.02) =   0.007%
    Distance limit 3.09 A violated in 9 structures by 1.20 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 = 0.637, support = 0.0199, residual support = 0.474:
          HB3   PRO   93 - HD2   PRO   52   7.65 +/- 1.46  75.166% *  5.3763% (0.65  1.00   0.02   0.70) =  67.182%  kept
          QB    ALA   84 - HD2   PRO   52  11.04 +/- 1.39  10.515% *  5.7087% (0.69  1.00   0.02   0.02) =   9.979%  kept
        T QB    ALA   88 - HD2   PRO   52  13.03 +/- 1.67   3.868% * 14.5547% (0.18 10.00   0.02   0.02) =   9.359%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.75 +/- 0.95   4.339% *  8.1462% (0.98  1.00   0.02   0.02) =   5.876%  kept
          HG2   LYS+ 111 - HD2   PRO   52  13.90 +/- 2.24   4.055% *  6.9417% (0.84  1.00   0.02   0.02) =   4.680%  kept
          HB2   LEU   63 - HD2   PRO   52  17.17 +/- 0.85   0.781% *  8.3107% (1.00  1.00   0.02   0.02) =   1.079%  kept
          HB3   LEU   80 - HD2   PRO   52  16.99 +/- 1.77   0.718% *  8.1462% (0.98  1.00   0.02   0.02) =   0.973%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  19.93 +/- 1.47   0.244% * 12.8231% (0.15 10.00   0.02   0.02) =   0.520%  kept
          HG    LEU   98 - HD2   PRO   52  22.62 +/- 1.96   0.128% *  6.6547% (0.80  1.00   0.02   0.02) =   0.142%
          QB    ALA  124 - HD2   PRO   52  25.19 +/- 1.03   0.080% *  7.4533% (0.90  1.00   0.02   0.02) =   0.100%
          HB2   LEU   31 - HD2   PRO   52  25.73 +/- 1.66   0.067% *  7.4533% (0.90  1.00   0.02   0.02) =   0.083%
          HG2   LYS+  99 - HD2   PRO   52  29.25 +/- 1.24   0.027% *  4.7052% (0.57  1.00   0.02   0.02) =   0.021%
          HG2   LYS+  38 - HD2   PRO   52  33.88 +/- 1.01   0.012% *  3.7260% (0.45  1.00   0.02   0.02) =   0.008%
    Distance limit 3.54 A violated in 20 structures by 3.68 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.55, residual support = 224.4:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.988% * 97.1447% (0.80  10.0 10.00   7.55 224.41) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   9.27 +/- 1.28   0.011% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  20.85 +/- 1.91   0.000% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  15.83 +/- 2.21   0.000% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  16.68 +/- 1.79   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  21.30 +/- 1.56   0.000% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  18.42 +/- 1.93   0.000% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  26.81 +/- 0.87   0.000% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  23.35 +/- 1.67   0.000% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.16 +/- 1.65   0.000% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.62 +/- 1.41   0.000% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  27.66 +/- 1.83   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.22 +/- 1.44   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 = 7.55, residual support = 224.4:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.487% * 98.5557% (0.87  10.0 10.00   7.55 224.41) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.32 +/- 0.35   0.511% *  0.0426% (0.38   1.0  1.00   0.02  54.15) =   0.000%
          HA    ILE   89 - HD2   PRO   52  11.48 +/- 1.99   0.002% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  19.89 +/- 1.61   0.000% *  1.0488% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  17.23 +/- 1.81   0.000% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.17 +/- 1.34   0.000% *  0.0910% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  27.80 +/- 1.22   0.000% *  0.0689% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  29.52 +/- 2.20   0.000% *  0.0735% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.96 +/- 1.08   0.000% *  0.0509% (0.45   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 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 15.1:
      O   HA1   GLY   51 - HD3   PRO   52   2.49 +/- 0.19  99.966% * 97.0168% (0.76  10.0  1.00   3.95  15.12) = 100.000%  kept
          HB    THR   77 - HD3   PRO   52  11.68 +/- 1.84   0.015% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52  11.27 +/- 0.49   0.014% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  14.72 +/- 1.06   0.003% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  16.99 +/- 2.10   0.002% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  25.15 +/- 1.26   0.000% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  17.36 +/- 2.01   0.001% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  30.53 +/- 1.06   0.000% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  20.54 +/- 2.08   0.000% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  40.40 +/- 3.02   0.000% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  37.24 +/- 3.15   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 0.00 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.33, residual support = 15.1:
      O   HA1   GLY   51 - HD2   PRO   52   3.31 +/- 0.19  99.794% * 92.3448% (0.34  10.0  1.00   5.33  15.12) =  99.999%  kept
          HB    THR   77 - HD2   PRO   52  10.46 +/- 1.65   0.154% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HD2   PRO   52  16.22 +/- 1.79   0.011% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD2   PRO   52  13.25 +/- 1.10   0.027% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  23.98 +/- 1.27   0.001% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  16.14 +/- 1.82   0.009% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  19.62 +/- 1.80   0.003% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  29.14 +/- 1.02   0.000% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  29.70 +/- 2.06   0.000% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  25.58 +/- 1.43   0.001% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  39.01 +/- 2.83   0.000% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  35.86 +/- 2.90   0.000% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 224.4:
      O   HG2   PRO   52 - HD3   PRO   52   2.64 +/- 0.30  99.203% * 99.6603% (0.90  10.0   6.60 224.41) = 100.000%  kept
          HG2   MET   92 - HD3   PRO   52   7.22 +/- 2.40   0.783% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HD3   PRO   52  13.79 +/- 2.02   0.009% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.44 +/- 1.09   0.004% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  17.06 +/- 1.98   0.002% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  28.77 +/- 1.75   0.000% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  35.55 +/- 1.25   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 = 224.4:
      O   HG3   PRO   52 - HD3   PRO   52   2.57 +/- 0.30  99.852% * 99.3977% (0.97  10.0  1.00   6.60 224.41) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52   8.92 +/- 1.96   0.142% *  0.2038% (0.20   1.0 10.00   0.02   0.70) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  13.90 +/- 1.15   0.005% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  22.50 +/- 2.08   0.000% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  31.45 +/- 2.37   0.000% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  29.34 +/- 1.32   0.000% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  27.94 +/- 1.48   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  40.44 +/- 2.79   0.000% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.76, residual support = 224.4:
      O   HB3   PRO   52 - HD3   PRO   52   3.95 +/- 0.27  95.624% * 98.5682% (0.57  10.0   6.76 224.41) =  99.993%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.35 +/- 0.64   3.173% *  0.1647% (0.95   1.0   0.02   1.75) =   0.006%
          HB3   GLN   90 - HD3   PRO   52  11.14 +/- 2.30   0.375% *  0.1331% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HD3   PRO   52   9.93 +/- 1.68   0.761% *  0.0434% (0.25   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  15.22 +/- 1.82   0.036% *  0.1196% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  16.82 +/- 1.86   0.020% *  0.1126% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  22.20 +/- 1.52   0.003% *  0.1607% (0.92   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  25.46 +/- 1.39   0.001% *  0.1680% (0.97   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  25.03 +/- 1.56   0.002% *  0.0986% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  27.07 +/- 1.34   0.001% *  0.1454% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  28.45 +/- 1.89   0.001% *  0.1707% (0.98   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  24.40 +/- 1.26   0.002% *  0.0537% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  24.84 +/- 1.26   0.002% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  34.36 +/- 1.07   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.1, residual support = 54.1:
          HN    CYS   53 - HD3   PRO   52   3.67 +/- 0.02  99.985% * 99.3021% (0.61   6.10  54.15) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  16.67 +/- 1.74   0.014% *  0.2014% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  25.25 +/- 1.62   0.001% *  0.3472% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  29.24 +/- 1.36   0.000% *  0.1492% (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 = 3.83, residual support = 15.1:
          HN    GLY   51 - HD3   PRO   52   2.42 +/- 0.45  99.998% * 99.5114% (0.92   3.83  15.12) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  16.82 +/- 1.65   0.002% *  0.4886% (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 = 1.75, residual support = 1.72:
          HN    ARG+  54 - HD2   PRO   52   4.08 +/- 0.17  88.396% * 83.2885% (0.61   1.79   1.75) =  97.984%  kept
          HN    PHE   55 - HD2   PRO   52   5.75 +/- 0.26  11.544% * 13.1191% (0.73   0.23   0.22) =   2.016%  kept
          HN    ASP-  62 - HD2   PRO   52  16.02 +/- 0.60   0.025% *  1.4200% (0.92   0.02   0.02) =   0.000%
          HN    ALA   88 - HD2   PRO   52  15.98 +/- 1.85   0.031% *  0.3836% (0.25   0.02   0.02) =   0.000%
          HN    LEU   31 - HD2   PRO   52  25.03 +/- 1.46   0.002% *  1.4845% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HD2   PRO   52  31.87 +/- 1.05   0.000% *  0.3044% (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  54.15) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  15.34 +/- 1.61   0.001% *  0.1502% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  23.79 +/- 1.54   0.000% *  0.2589% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  27.76 +/- 1.27   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 = 8.2:
          QB    CYS   50 - HB3   CYS   53   2.78 +/- 0.88  99.156% * 96.8478% (0.92   1.50   8.20) =  99.989%  kept
          QE    LYS+  74 - HB3   CYS   53   8.51 +/- 1.37   0.695% *  1.3233% (0.95   0.02   0.02) =   0.010%
          HB3   ASP-  78 - HB3   CYS   53  11.74 +/- 2.03   0.134% *  0.7920% (0.57   0.02   0.02) =   0.001%
          HB2   PHE   72 - HB3   CYS   53  16.31 +/- 1.80   0.013% *  0.2450% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  26.29 +/- 1.49   0.001% *  0.7920% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.2:
        T QB    CYS   50 - HB2   CYS   53   2.42 +/- 0.65  99.659% * 99.6254% (0.92 10.00   1.50   8.20) = 100.000%  kept
          QE    LYS+  74 - HB2   CYS   53   8.40 +/- 1.21   0.296% *  0.1291% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   CYS   53  11.59 +/- 1.92   0.039% *  0.0252% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  16.30 +/- 1.44   0.005% *  0.0815% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  26.40 +/- 1.22   0.000% *  0.1389% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.942, support = 0.0199, residual support = 0.0199:
        T QG2   ILE   56 - HA    CYS   53   3.28 +/- 1.45  95.086% * 41.1882% (0.95 10.00   0.02   0.02) =  99.531%  kept
          QB    ALA   91 - HA    CYS   53   8.02 +/- 0.80   4.463% *  3.9049% (0.90  1.00   0.02   0.02) =   0.443%
          HG2   LYS+  74 - HA    CYS   53  10.92 +/- 1.26   0.388% *  1.4852% (0.34  1.00   0.02   0.02) =   0.015%
        T HG13  ILE   19 - HA    CYS   53  19.69 +/- 1.29   0.010% * 24.6510% (0.57 10.00   0.02   0.02) =   0.006%
        T HG    LEU   71 - HA    CYS   53  21.43 +/- 1.55   0.006% * 13.4389% (0.31 10.00   0.02   0.02) =   0.002%
          QG2   THR   23 - HA    CYS   53  17.70 +/- 1.55   0.024% *  1.9521% (0.45  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    CYS   53  19.40 +/- 1.03   0.011% *  3.4865% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    CYS   53  20.00 +/- 1.11   0.009% *  3.9049% (0.90  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    CYS   53  24.88 +/- 1.50   0.003% *  1.6341% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    CYS   53  29.99 +/- 1.43   0.001% *  4.3541% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 6 structures by 0.66 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.78, residual support = 44.1:
      O   HN    CYS   53 - HA    CYS   53   2.78 +/- 0.04  99.995% * 99.7861% (0.61  10.0   4.78  44.11) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  15.41 +/- 1.43   0.004% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  22.36 +/- 1.51   0.000% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  24.50 +/- 1.23   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   2.69 +/- 0.28  99.992% * 99.7861% (0.61  10.0   4.92  44.11) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  13.72 +/- 1.26   0.007% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  21.26 +/- 1.50   0.001% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  24.75 +/- 1.20   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 = 5.53, residual support = 31.6:
          HN    ARG+  54 - HB2   CYS   53   3.03 +/- 0.14  95.355% * 98.9919% (0.97   5.53  31.60) =  99.994%  kept
          HN    PHE   55 - HB2   CYS   53   5.04 +/- 0.15   4.624% *  0.1145% (0.31   0.02   0.02) =   0.006%
          HN    ASP-  62 - HB2   CYS   53  12.83 +/- 1.03   0.020% *  0.3509% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  22.24 +/- 1.18   0.001% *  0.3327% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  28.86 +/- 1.17   0.000% *  0.2100% (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 = 31.6:
          HN    ARG+  54 - HB3   CYS   53   3.87 +/- 0.24  99.914% * 99.1730% (0.87   5.36  31.60) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  13.10 +/- 1.05   0.082% *  0.2243% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  21.87 +/- 1.63   0.004% *  0.1912% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  28.49 +/- 1.61   0.001% *  0.4115% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.8, residual support = 168.9:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.84 +/- 0.21  94.633% * 99.8484% (0.87  10.0 10.00   4.80 168.93) =  99.999%  kept
          QB    ALA   57 - HD2   ARG+  54   6.03 +/- 1.75   5.365% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   ARG+  54  17.82 +/- 1.82   0.002% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  25.13 +/- 1.85   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  26.69 +/- 2.38   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 = 3.61, residual support = 168.9:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.918% * 99.6886% (0.87  10.0 10.00   3.61 168.93) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.73 +/- 0.90   0.061% *  0.0559% (0.49   1.0  1.00   0.02   3.62) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   8.12 +/- 0.88   0.017% *  0.0920% (0.80   1.0  1.00   0.02  31.60) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  10.83 +/- 1.37   0.004% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.50 +/- 1.21   0.001% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  24.05 +/- 1.72   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 = 3.61, residual support = 168.9:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.9131% (1.00  10.0 10.00   3.61 168.93) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  20.21 +/- 2.15   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 = 168.9:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.67 +/- 0.29  97.500% * 99.8484% (0.87  10.0 10.00   3.74 168.93) =  99.999%  kept
          QB    ALA   57 - HD3   ARG+  54   6.04 +/- 1.67   2.498% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD3   ARG+  54  18.31 +/- 2.01   0.001% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  25.25 +/- 1.80   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  26.41 +/- 2.42   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 = 168.9:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.57 +/- 0.30  99.913% * 97.6350% (0.49  10.0 10.00   3.89 168.93) = 100.000%  kept
          HB    ILE   56 - HD3   ARG+  54   9.81 +/- 0.60   0.039% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54  11.21 +/- 1.88   0.023% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  16.87 +/- 3.05   0.009% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  14.14 +/- 1.97   0.011% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  17.84 +/- 3.08   0.004% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  19.40 +/- 0.92   0.001% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  25.98 +/- 1.84   0.000% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  24.84 +/- 2.34   0.000% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.59 +/- 1.71   0.000% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  26.36 +/- 2.10   0.000% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  28.14 +/- 1.72   0.000% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  34.11 +/- 2.09   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 = 4.05, residual support = 168.9:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.18 +/- 0.49  99.889% * 99.0727% (0.73  10.0   4.05 168.93) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  11.09 +/- 1.12   0.091% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  19.14 +/- 1.63   0.003% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  17.19 +/- 1.69   0.007% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  19.12 +/- 1.07   0.003% *  0.1092% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  20.24 +/- 2.83   0.004% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  24.83 +/- 2.34   0.001% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  25.25 +/- 2.78   0.001% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  25.97 +/- 1.57   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  24.24 +/- 1.99   0.001% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  33.67 +/- 2.04   0.000% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  27.92 +/- 2.31   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 168.9:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.973% * 97.1361% (0.92  10.0 10.00   4.97 168.93) = 100.000%  kept
          HB    ILE   56 - HG3   ARG+  54   8.94 +/- 0.99   0.007% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   8.38 +/- 0.98   0.015% *  0.0208% (0.20   1.0  1.00   0.02   1.75) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  15.39 +/- 2.45   0.001% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  16.64 +/- 2.80   0.001% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  12.53 +/- 1.84   0.003% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  25.45 +/- 2.05   0.000% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  25.52 +/- 2.12   0.000% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  18.13 +/- 1.05   0.000% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  23.11 +/- 1.55   0.000% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.45 +/- 1.56   0.000% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  26.73 +/- 1.85   0.000% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  23.68 +/- 2.28   0.000% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  33.09 +/- 1.98   0.000% *  0.0512% (0.49   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 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.13, residual support = 168.9:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.75 +/- 0.20  99.986% * 97.7423% (0.31  10.0   5.13 168.93) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  16.34 +/- 1.78   0.003% *  0.2420% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  19.87 +/- 2.60   0.002% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  18.55 +/- 1.59   0.001% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.80 +/- 1.60   0.004% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  17.63 +/- 1.23   0.002% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  24.17 +/- 2.69   0.000% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  23.67 +/- 2.29   0.000% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  23.79 +/- 1.87   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  25.56 +/- 1.50   0.000% *  0.3104% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  20.17 +/- 2.18   0.001% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  26.69 +/- 2.16   0.000% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  32.50 +/- 1.87   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 168.9:
      O   HA    ARG+  54 - HG3   ARG+  54   3.13 +/- 0.54  99.956% * 99.5710% (1.00  10.0   5.75 168.93) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  15.53 +/- 1.86   0.023% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  17.15 +/- 2.73   0.015% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.86 +/- 1.70   0.004% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  25.40 +/- 2.14   0.001% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  28.80 +/- 1.77   0.000% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  28.36 +/- 2.16   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.76 +/- 2.56   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  34.58 +/- 2.27   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 168.9:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.67 +/- 0.29  99.999% * 99.9462% (0.76  10.0 10.00   3.74 168.93) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  18.73 +/- 2.09   0.001% *  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 = 0.867, support = 4.8, residual support = 168.9:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.84 +/- 0.21  95.052% * 99.6886% (0.87  10.0 10.00   4.80 168.93) =  99.997%  kept
          QB    PHE   55 - HG3   ARG+  54   6.08 +/- 1.08   4.181% *  0.0559% (0.49   1.0  1.00   0.02   3.62) =   0.002%
          HB3   CYS   53 - HG3   ARG+  54   6.79 +/- 0.51   0.576% *  0.0920% (0.80   1.0  1.00   0.02  31.60) =   0.001%
          HD3   PRO   93 - HG3   ARG+  54   9.29 +/- 1.25   0.167% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  11.78 +/- 1.03   0.025% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  23.59 +/- 1.94   0.000% *  0.0651% (0.57   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 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.58, residual support = 168.9:
          HN    ARG+  54 - HG3   ARG+  54   3.63 +/- 0.43  99.937% * 99.3250% (0.87   6.58 168.93) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  13.64 +/- 1.23   0.061% *  0.1831% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  25.66 +/- 2.28   0.002% *  0.1560% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  31.95 +/- 2.09   0.000% *  0.3359% (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 = 168.9:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  99.304% * 98.1061% (0.87  10.0 10.00   4.97 168.93) = 100.000%  kept
        T HB3   LEU  123 - HG3   PRO   68  10.66 +/- 3.39   0.169% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   ARG+  54   5.17 +/- 1.62   0.527% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  15.52 +/- 2.02   0.000% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  17.38 +/- 1.90   0.000% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  24.36 +/- 1.68   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  24.99 +/- 2.08   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  25.52 +/- 2.12   0.000% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  16.24 +/- 1.54   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  25.96 +/- 2.50   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 = 0.138, support = 2.77, residual support = 35.8:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  89.691% * 33.8555% (0.12  10.0  1.00   2.31  35.75) =  82.378%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.62 +/- 0.31  10.299% * 63.0750% (0.22  10.0  1.00   4.90  35.75) =  17.622%  kept
          QB    GLU-  15 - HG3   PRO   68   9.72 +/- 1.63   0.006% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  13.25 +/- 2.02   0.001% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  16.13 +/- 1.65   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  15.54 +/- 1.38   0.000% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  13.18 +/- 2.57   0.001% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  19.29 +/- 2.24   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  23.12 +/- 1.94   0.000% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  15.02 +/- 1.17   0.000% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  19.57 +/- 1.86   0.000% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  18.09 +/- 1.58   0.000% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  23.26 +/- 1.48   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  18.88 +/- 2.26   0.000% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  16.73 +/- 2.10   0.000% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  24.96 +/- 1.41   0.000% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  18.45 +/- 1.52   0.000% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  23.62 +/- 2.41   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  26.24 +/- 2.12   0.000% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  24.73 +/- 1.95   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  23.53 +/- 2.62   0.000% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  17.59 +/- 0.96   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  27.20 +/- 1.17   0.000% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  31.93 +/- 1.65   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 = 0.693, support = 4.74, residual support = 136.4:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.85 +/- 0.12  34.723% * 78.1649% (0.87  10.0 10.00   4.77 168.93) =  75.734%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.57 +/- 0.30  62.569% * 13.6135% (0.15  10.0  1.00   4.76  35.75) =  23.768%  kept
          QB    PHE   55 - HG2   ARG+  54   5.96 +/- 1.07   2.297% *  7.7611% (0.49   1.0  1.00   3.54   3.62) =   0.498%
          HB3   CYS   53 - HG2   ARG+  54   6.25 +/- 0.62   0.358% *  0.0722% (0.80   1.0  1.00   0.02  31.60) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54   9.08 +/- 0.89   0.040% *  0.0547% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.23 +/- 1.01   0.011% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  26.10 +/- 2.12   0.000% *  0.2086% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.64 +/- 1.93   0.002% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.98 +/- 1.58   0.000% *  0.0510% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  20.73 +/- 1.82   0.000% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.96 +/- 1.61   0.000% *  0.0193% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  24.58 +/- 1.75   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 = 168.9:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.57 +/- 0.30 100.000% * 99.7339% (0.31  10.0 10.00   3.89 168.93) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  25.98 +/- 1.84   0.000% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 168.9:
      O T HA    ARG+  54 - HG2   ARG+  54   2.57 +/- 0.60  99.766% * 97.8074% (1.00  10.0 10.00   5.69 168.93) = 100.000%  kept
        T HA    LYS+  81 - HG2   ARG+  54  16.90 +/- 2.78   0.011% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   ARG+  54  15.14 +/- 1.50   0.012% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   PRO   68  10.13 +/- 2.85   0.189% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  17.01 +/- 2.66   0.006% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  23.11 +/- 1.52   0.001% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  14.33 +/- 1.12   0.008% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  18.54 +/- 1.42   0.002% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  24.88 +/- 1.95   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  30.20 +/- 1.57   0.000% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.49 +/- 1.04   0.001% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  28.30 +/- 1.55   0.000% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  19.10 +/- 1.96   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  21.99 +/- 1.26   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  19.98 +/- 2.58   0.002% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  27.76 +/- 1.75   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  30.23 +/- 2.25   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  33.99 +/- 1.84   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 = 6.46, residual support = 168.9:
          HN    ARG+  54 - HG2   ARG+  54   3.36 +/- 0.32  99.891% * 99.0498% (0.87   6.46 168.93) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  13.06 +/- 0.89   0.037% *  0.1859% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  12.40 +/- 1.31   0.057% *  0.0496% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  15.78 +/- 1.14   0.011% *  0.0910% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  19.43 +/- 1.12   0.003% *  0.0423% (0.12   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  25.10 +/- 1.96   0.001% *  0.1584% (0.45   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  24.65 +/- 1.57   0.001% *  0.0818% (0.23   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  31.35 +/- 1.70   0.000% *  0.3411% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 0.0199, residual support = 0.0199:
          QB    ALA   57 - HB3   ARG+  54   5.70 +/- 1.34  90.618% * 19.4000% (0.97   0.02   0.02) =  92.926%  kept
          HD2   LYS+  74 - HB3   ARG+  54  12.89 +/- 2.36   8.755% * 14.5972% (0.73   0.02   0.02) =   6.756%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  16.05 +/- 1.98   0.199% * 19.7041% (0.98   0.02   0.02) =   0.207%
          QD    LYS+  65 - HB3   ARG+  54  16.33 +/- 2.00   0.358% *  3.5205% (0.18   0.02   0.02) =   0.067%
          QD    LYS+  33 - HB3   ARG+  54  25.82 +/- 2.41   0.019% * 19.4000% (0.97   0.02   0.02) =   0.019%
          HB3   LEU  123 - HB3   ARG+  54  24.14 +/- 1.56   0.018% * 19.4000% (0.97   0.02   0.02) =   0.018%
          HB2   LYS+ 121 - HB3   ARG+  54  21.98 +/- 2.16   0.034% *  3.9782% (0.20   0.02   0.02) =   0.007%
    Distance limit 3.01 A violated in 19 structures by 2.43 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.31, residual support = 168.9:
      O   HN    ARG+  54 - HB3   ARG+  54   2.42 +/- 0.56  99.990% * 99.7769% (0.87  10.0   5.31 168.93) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  13.46 +/- 0.84   0.010% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  25.83 +/- 2.15   0.000% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  31.93 +/- 1.92   0.000% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.5, residual support = 168.9:
      O   HN    ARG+  54 - HB2   ARG+  54   3.07 +/- 0.55  99.943% * 99.6984% (0.87  10.0   6.50 168.93) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  13.08 +/- 0.92   0.028% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  16.39 +/- 1.48   0.007% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  16.20 +/- 1.60   0.010% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  20.57 +/- 4.14   0.005% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  19.20 +/- 1.75   0.004% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  23.02 +/- 4.27   0.004% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  26.28 +/- 1.92   0.000% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  32.17 +/- 1.62   0.000% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  27.88 +/- 2.05   0.000% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  27.56 +/- 2.02   0.000% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  36.86 +/- 2.11   0.000% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.246, support = 1.5, residual support = 30.1:
          QE    PHE   59 - HA    LEU  115   2.96 +/- 0.77  97.935% * 83.3682% (0.25   1.50  30.07) =  99.957%  kept
          HN    PHE   59 - HA    ARG+  54   8.24 +/- 1.20   0.684% *  1.8547% (0.41   0.02   0.02) =   0.016%
          QD    PHE   60 - HA    ARG+  54   8.44 +/- 0.83   0.486% *  2.5542% (0.57   0.02   0.02) =   0.015%
          QE    PHE   59 - HA    ARG+  54  10.80 +/- 1.28   0.144% *  3.6125% (0.80   0.02   0.02) =   0.006%
          HN    PHE   59 - HA    LEU  115   7.94 +/- 1.12   0.480% *  0.5707% (0.13   0.02  30.07) =   0.003%
          QD    PHE   60 - HA    LEU  115   9.42 +/- 1.05   0.236% *  0.7859% (0.17   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    ARG+  54  16.89 +/- 0.80   0.006% *  4.4221% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LEU  115  13.19 +/- 1.50   0.017% *  1.3607% (0.30   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    ARG+  54  18.08 +/- 2.17   0.010% *  1.1249% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  23.69 +/- 1.31   0.001% *  0.3461% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.922, support = 6.28, residual support = 158.1:
      O   HN    ARG+  54 - HA    ARG+  54   2.74 +/- 0.03  82.002% * 75.5578% (0.97  10.0   6.49 168.93) =  93.471%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.54 +/- 0.03  17.910% * 24.1648% (0.31  10.0   3.35   3.62) =   6.529%  kept
          HN    ASP-  62 - HA    ARG+  54  11.23 +/- 0.79   0.019% *  0.0741% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.38 +/- 1.15   0.036% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  13.27 +/- 1.37   0.009% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.57 +/- 1.33   0.023% *  0.0074% (0.09   1.0   0.02   5.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  23.93 +/- 1.46   0.000% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  21.87 +/- 1.51   0.000% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  24.11 +/- 1.79   0.000% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  29.79 +/- 1.38   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 = 18.6:
          HN    ILE   56 - QB    PHE   55   2.87 +/- 0.28  98.908% * 97.4368% (0.57   4.27  18.59) =  99.998%  kept
          QE    PHE   60 - QB    PHE   55  10.66 +/- 1.94   0.511% *  0.2009% (0.25   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QB    PHE   55   7.80 +/- 2.54   0.545% *  0.1793% (0.22   0.02   0.02) =   0.001%
          HN    LEU   63 - QB    PHE   55  11.52 +/- 0.80   0.033% *  0.5533% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  19.29 +/- 1.89   0.001% *  0.6729% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  22.38 +/- 1.08   0.001% *  0.7774% (0.97   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  17.99 +/- 1.49   0.002% *  0.1793% (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 = 2.91, residual support = 20.2:
      O   HN    PHE   55 - QB    PHE   55   2.05 +/- 0.16  98.765% * 99.5965% (0.73  10.0   2.91  20.22) =  99.999%  kept
          HN    ARG+  54 - QB    PHE   55   4.27 +/- 0.20   1.226% *  0.0832% (0.61   1.0   0.02   3.62) =   0.001%
          HN    ASP-  62 - QB    PHE   55  10.45 +/- 0.93   0.008% *  0.1266% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  18.21 +/- 1.59   0.000% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  23.13 +/- 1.27   0.000% *  0.1324% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  27.48 +/- 1.08   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 = 0.885, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   9.11 +/- 1.49  92.285% * 36.5548% (0.90   0.02   0.02) =  95.696%  kept
          HN    LYS+  66 - QB    PHE   55  15.34 +/- 1.03   4.762% * 16.7569% (0.41   0.02   0.02) =   2.263%  kept
          HN    LYS+  81 - QB    PHE   55  18.93 +/- 1.66   1.564% * 40.3993% (0.99   0.02   0.02) =   1.792%  kept
          HE3   TRP   27 - QB    PHE   55  18.99 +/- 1.31   1.389% *  6.2891% (0.15   0.02   0.02) =   0.248%
    Distance limit 3.17 A violated in 20 structures by 5.83 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 6.02, residual support = 123.4:
      O   HN    ILE   56 - HB    ILE   56   3.00 +/- 0.62  99.191% * 98.8687% (0.25  10.0   6.02 123.40) =  99.998%  kept
          QE    PHE   60 - HB    ILE   56   9.18 +/- 1.51   0.461% *  0.2245% (0.57   1.0   0.02   2.31) =   0.001%
          HN    LEU   63 - HB    ILE   56   9.59 +/- 1.11   0.345% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB    ILE   56  19.02 +/- 2.53   0.003% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  21.97 +/- 1.53   0.001% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.552, support = 2.08, residual support = 12.7:
          QD    PHE   55 - HB    ILE   56   4.89 +/- 0.99  52.706% * 61.5922% (0.41   2.74  18.59) =  66.762%  kept
          QE    PHE   95 - HB    ILE   56   5.52 +/- 2.46  47.173% * 34.2591% (0.84   0.75   0.81) =  33.236%  kept
          HN    LEU   67 - HB    ILE   56  15.15 +/- 1.17   0.042% *  1.0841% (0.99   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB    ILE   56  14.88 +/- 1.62   0.047% *  0.8359% (0.76   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB    ILE   56  18.18 +/- 2.20   0.013% *  0.6634% (0.61   0.02   0.02) =   0.000%
          HN    THR   23 - HB    ILE   56  20.43 +/- 1.54   0.006% *  0.9487% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  18.17 +/- 1.59   0.012% *  0.3731% (0.34   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  27.28 +/- 2.14   0.001% *  0.2435% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.66, residual support = 123.4:
      O T QD1   ILE   56 - HB    ILE   56   2.62 +/- 0.37  99.975% * 99.4902% (0.87  10.0 10.00   4.66 123.40) = 100.000%  kept
        T QD2   LEU  123 - HB    ILE   56  13.81 +/- 1.55   0.012% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  16.52 +/- 2.22   0.006% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    ILE   56  14.18 +/- 1.28   0.007% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  20.74 +/- 1.60   0.001% *  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 = 3.9, residual support = 123.4:
      O T QD1   ILE   56 - QG1   ILE   56   1.90 +/- 0.01  99.994% * 98.2187% (0.87  10.0 10.00   3.90 123.40) = 100.000%  kept
        T QD2   LEU   73 - QG1   ILE   56  11.68 +/- 1.06   0.002% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QG1   ILE   56  13.49 +/- 1.67   0.001% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  11.56 +/- 0.81   0.002% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  17.35 +/- 1.15   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, 56.43 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.74, residual support = 123.4:
        T QG2   ILE   56 - QD1   ILE   56   2.63 +/- 0.68  99.836% * 98.5057% (0.72 10.00   4.74 123.40) = 100.000%  kept
        T QB    ALA   34 - QD1   ILE   56  14.93 +/- 0.97   0.005% *  1.1899% (0.87 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   56   9.57 +/- 0.99   0.068% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56   9.02 +/- 1.07   0.083% *  0.0255% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  16.37 +/- 1.49   0.003% *  0.1263% (0.93  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  14.77 +/- 0.87   0.006% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  22.76 +/- 1.09   0.000% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2687 (1.43, 0.79, 56.43 ppm):
    14 chemical-shift based assignments, quality = 0.783, support = 2.02, residual support = 3.91:
          QB    ALA  110 - QD1   ILE   56   4.80 +/- 2.89  27.888% * 80.9913% (0.85  1.00   2.29   4.57) =  85.584%  kept
          HB3   LEU  115 - QD1   ILE   56   3.66 +/- 1.48  58.010% *  4.8825% (0.21  1.00   0.56   0.02) =  10.732%  kept
          QB    ALA   61 - QD1   ILE   56   6.72 +/- 1.11  13.306% *  7.2719% (0.94  1.00   0.18   0.02) =   3.666%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  11.80 +/- 1.48   0.075% *  2.1964% (0.26 10.00   0.02   0.02) =   0.006%
          QG    LYS+  66 - QD1   ILE   56   9.96 +/- 1.29   0.190% *  0.6852% (0.82  1.00   0.02   0.02) =   0.005%
          HB3   LYS+  74 - QD1   ILE   56  11.72 +/- 1.71   0.276% *  0.1970% (0.24  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QD1   ILE   56  13.68 +/- 1.31   0.055% *  0.5426% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD1   ILE   56  13.42 +/- 0.98   0.034% *  0.7743% (0.93  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD1   ILE   56  15.60 +/- 1.88   0.035% *  0.6598% (0.79  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QD1   ILE   56  16.47 +/- 1.63   0.020% *  0.7292% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD1   ILE   56  15.77 +/- 1.68   0.029% *  0.3248% (0.39  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  13.97 +/- 0.93   0.032% *  0.1759% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   ILE   56  12.92 +/- 1.72   0.044% *  0.1219% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  20.00 +/- 1.30   0.004% *  0.4472% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 3 structures by 0.26 A, kept.
 
    Peak 2688 (1.71, 0.79, 56.43 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.9, residual support = 123.4:
      O T QG1   ILE   56 - QD1   ILE   56   1.90 +/- 0.01  99.928% * 98.9931% (0.85  10.0 10.00   3.90 123.40) = 100.000%  kept
          HB3   MET   92 - QD1   ILE   56   7.88 +/- 0.93   0.028% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56   8.32 +/- 2.37   0.035% *  0.0341% (0.29   1.0  1.00   0.02   2.19) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  13.48 +/- 1.43   0.001% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  10.03 +/- 1.18   0.006% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  12.81 +/- 1.48   0.001% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  15.98 +/- 0.74   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  16.99 +/- 0.88   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, 56.43 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 4.66, residual support = 123.4:
      O T HB    ILE   56 - QD1   ILE   56   2.62 +/- 0.37  99.277% * 98.1990% (0.72  10.0 10.00   4.66 123.40) =  99.999%  kept
          HB3   PRO   58 - QD1   ILE   56   6.68 +/- 0.60   0.520% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QD1   ILE   56   8.90 +/- 0.97   0.129% *  0.1274% (0.94   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  17.20 +/- 1.53   0.003% *  1.2736% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   9.41 +/- 1.04   0.057% *  0.0438% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  14.36 +/- 1.35   0.008% *  0.0320% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  16.10 +/- 1.37   0.004% *  0.0397% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  21.80 +/- 0.96   0.000% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  18.26 +/- 1.20   0.002% *  0.0254% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  29.06 +/- 1.78   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 0.00 A, kept.
 
    Peak 2690 (3.46, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.82, residual support = 8.53:
        T HA    LYS+ 112 - QD1   ILE   56   4.67 +/- 2.13  77.149% * 99.8482% (0.79 10.00   1.82   8.53) =  99.988%  kept
          HB    THR   46 - QD1   ILE   56   7.71 +/- 1.92  22.556% *  0.0406% (0.29  1.00   0.02   0.02) =   0.012%
          HB2   HIS  122 - QD1   ILE   56  12.04 +/- 0.97   0.246% *  0.0745% (0.54  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   ILE   56  17.33 +/- 2.08   0.049% *  0.0366% (0.26  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 8 structures by 1.57 A, kept.
 
    Peak 2691 (4.46, 0.79, 56.43 ppm):
    6 chemical-shift based assignments, quality = 0.889, support = 2.96, residual support = 8.38:
          HA    ALA  110 - QD1   ILE   56   4.89 +/- 3.85  75.860% * 44.7079% (0.94   2.60   4.57) =  72.799%  kept
          HA    PHE   55 - QD1   ILE   56   4.96 +/- 0.85  23.178% * 54.6696% (0.76   3.93  18.59) =  27.199%  kept
          HA    VAL  107 - QD1   ILE   56   7.50 +/- 1.34   0.692% *  0.1303% (0.36   0.02   0.02) =   0.002%
          HA    GLN   90 - QD1   ILE   56  13.61 +/- 1.43   0.051% *  0.3284% (0.89   0.02   0.02) =   0.000%
          HA    ALA   91 - QD1   ILE   56  11.20 +/- 1.24   0.138% *  0.0866% (0.24   0.02   0.02) =   0.000%
          HA    VAL   42 - QD1   ILE   56  11.43 +/- 0.93   0.080% *  0.0773% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 2 structures by 0.26 A, kept.
 
    Peak 2692 (6.90, 0.79, 56.43 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56  10.10 +/- 1.04 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.30 A violated in 20 structures by 6.80 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 56.43 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 1.18, residual support = 20.2:
          HN    PHE   59 - QD1   ILE   56   3.76 +/- 0.39  99.792% * 91.0650% (0.29   1.18  20.23) =  99.990%  kept
          HN    HIS  122 - QD1   ILE   56  11.27 +/- 0.80   0.189% *  4.3286% (0.82   0.02   0.02) =   0.009%
          HH2   TRP   87 - QD1   ILE   56  16.82 +/- 2.41   0.020% *  4.6064% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 1 structures by 0.40 A, kept.
 
    Peak 2694 (7.39, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.64, residual support = 33.7:
          HN    ALA   57 - QD1   ILE   56   3.57 +/- 0.82  99.436% * 98.3780% (0.42   4.64  33.75) =  99.998%  kept
          HE21  GLN  116 - QD1   ILE   56   8.95 +/- 1.30   0.545% *  0.3548% (0.36   0.02   0.02) =   0.002%
          HE21  GLN   90 - QD1   ILE   56  16.32 +/- 1.31   0.016% *  0.9124% (0.91   0.02   0.02) =   0.000%
          HD21  ASN   35 - QD1   ILE   56  22.23 +/- 1.78   0.003% *  0.3548% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2695 (7.61, 0.79, 56.43 ppm):
    5 chemical-shift based assignments, quality = 0.244, support = 5.57, residual support = 120.3:
          HN    ILE   56 - QD1   ILE   56   3.42 +/- 0.63  91.895% * 70.1173% (0.24   5.69 123.40) =  97.414%  kept
          QE    PHE   60 - QD1   ILE   56   7.48 +/- 1.62   6.169% * 27.6220% (0.54   0.99   2.31) =   2.576%  kept
          HN    LEU   63 - QD1   ILE   56   7.13 +/- 0.76   1.916% *  0.3372% (0.32   0.02   0.02) =   0.010%
          HZ2   TRP   87 - QD1   ILE   56  15.91 +/- 2.35   0.015% *  0.9885% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  18.31 +/- 1.03   0.005% *  0.9351% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2696 (8.51, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 1.73, residual support = 8.52:
          HN    LYS+ 112 - QD1   ILE   56   5.84 +/- 2.31  81.218% * 97.4174% (0.50   1.74   8.53) =  99.862%  kept
          HN    VAL   75 - QD1   ILE   56  10.38 +/- 1.51  16.535% *  0.4749% (0.21   0.02   0.02) =   0.099%
          HN    ASP-  78 - QD1   ILE   56  13.41 +/- 1.36   2.236% *  1.3800% (0.61   0.02   0.02) =   0.039%
          HN    MET   11 - QD1   ILE   56  29.70 +/- 2.01   0.011% *  0.7277% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 11 structures by 2.22 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.2:
        T HB3   PHE   59 - QG1   ILE   56   3.15 +/- 0.73  96.405% * 99.8494% (0.38 10.00   3.00  20.23) =  99.994%  kept
          HB2   PHE   95 - QG1   ILE   56   6.20 +/- 0.97   3.595% *  0.1506% (0.57  1.00   0.02   0.81) =   0.006%
    Distance limit 3.58 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.355, support = 2.57, residual support = 20.1:
        T HB2   PHE   59 - QG1   ILE   56   2.86 +/- 0.75  84.323% * 73.3060% (0.34 10.00   2.49  20.23) =  94.754%  kept
          QB    PHE   55 - QG1   ILE   56   4.73 +/- 0.78  13.150% * 25.9943% (0.61  1.00   3.99  18.59) =   5.240%  kept
          HB3   CYS   53 - QG1   ILE   56   6.66 +/- 1.17   1.146% *  0.1927% (0.90  1.00   0.02   0.02) =   0.003%
          HD3   PRO   93 - QG1   ILE   56   6.48 +/- 0.41   1.260% *  0.1561% (0.73  1.00   0.02   0.02) =   0.003%
          HD2   ARG+  54 - QG1   ILE   56   9.62 +/- 1.11   0.112% *  0.2033% (0.95  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QG1   ILE   56  14.57 +/- 1.19   0.009% *  0.1476% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56  10.47 +/- 0.85 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.85 A violated in 20 structures by 6.63 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 = 20.2:
          QD    PHE   59 - QG1   ILE   56   2.96 +/- 0.78  99.949% * 96.4508% (0.34   1.97  20.23) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  11.93 +/- 1.20   0.039% *  1.1777% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   87 - QG1   ILE   56  17.20 +/- 2.23   0.005% *  1.3944% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   ILE   56  16.85 +/- 0.89   0.007% *  0.9772% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.05, residual support = 123.4:
      O   HN    ILE   56 - HA    ILE   56   2.85 +/- 0.21  99.727% * 98.8687% (0.25  10.0   5.05 123.40) = 100.000%  kept
          QE    PHE   60 - HA    ILE   56   9.31 +/- 0.98   0.125% *  0.2245% (0.57   1.0   0.02   2.31) =   0.000%
          HN    LEU   63 - HA    ILE   56   8.99 +/- 1.07   0.146% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    ILE   56  20.41 +/- 2.00   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  23.14 +/- 1.33   0.000% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 57.72 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 24.3:
        T HD2   PRO   58 - QB    ALA   57   2.05 +/- 0.23  99.155% * 98.8080% (0.95 10.00   5.07  24.28) = 100.000%  kept
          HB2   CYS   53 - QB    ALA   57   5.51 +/- 1.49   0.845% *  0.0356% (0.34  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QB    ALA   57  18.20 +/- 1.48   0.000% *  1.0238% (0.98 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  22.15 +/- 1.20   0.000% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  22.66 +/- 0.89   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, 57.72 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.87, residual support = 24.3:
      O   HN    ALA   57 - QB    ALA   57   2.46 +/- 0.47  95.292% * 98.4865% (0.18  10.0   4.87  24.30) =  99.994%  kept
          HE21  GLN  116 - QB    ALA   57  12.01 +/- 3.51   4.689% *  0.1252% (0.22   1.0   0.02   0.02) =   0.006%
          HN    ALA  120 - QB    ALA   57  13.23 +/- 1.61   0.010% *  0.3184% (0.57   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - QB    ALA   57  14.11 +/- 1.48   0.005% *  0.4084% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  17.49 +/- 1.39   0.001% *  0.4697% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.37 +/- 1.41   0.003% *  0.1918% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.47, residual support = 24.3:
      O   HN    ALA   57 - HA    ALA   57   2.73 +/- 0.18  99.741% * 99.6015% (0.57  10.0   4.47  24.30) = 100.000%  kept
          HE21  GLN  116 - HA    ALA   57  13.72 +/- 3.47   0.251% *  0.1138% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   57  14.69 +/- 1.13   0.005% *  0.1698% (0.97   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  16.30 +/- 1.75   0.003% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.90 +/- 1.05   0.001% *  0.0660% (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 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.3:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.02  99.858% * 98.9094% (0.53  10.0 10.00   2.81  24.30) = 100.000%  kept
          HD2   LYS+  74 - HA    ALA   57   8.26 +/- 1.69   0.059% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    ALA   57   7.63 +/- 1.07   0.069% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.69 +/- 1.59   0.011% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  16.41 +/- 1.67   0.001% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  15.77 +/- 1.48   0.001% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  18.49 +/- 1.86   0.000% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  18.28 +/- 1.22   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  17.84 +/- 1.21   0.000% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  20.63 +/- 1.71   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  25.25 +/- 0.95   0.000% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.47 +/- 1.47   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 = 0.268, support = 0.02, residual support = 0.02:
          HN    CYS   53 - HB2   PRO   58  12.61 +/- 0.79  92.108% *  5.7685% (0.15   0.02   0.02) =  77.492%  kept
          HN    GLN   32 - HB2   PRO   58  26.32 +/- 0.85   1.205% * 37.3861% (1.00   0.02   0.02) =   6.570%  kept
          HN    SER   85 - HB2   PRO   58  25.87 +/- 1.13   1.341% * 29.9364% (0.80   0.02   0.02) =   5.857%  kept
          HN    LEU   80 - HB2   PRO   58  22.07 +/- 1.29   3.406% * 11.5391% (0.31   0.02   0.02) =   5.733%  kept
          HN    ALA   34 - HB2   PRO   58  24.34 +/- 0.84   1.940% * 15.3699% (0.41   0.02   0.02) =   4.348%  kept
    Distance limit 3.85 A violated in 20 structures by 8.58 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   4.07 +/- 0.32  93.905% * 99.6725% (0.61  10.0   6.30  40.17) =  99.995%  kept
          QE    PHE   59 - HB3   PRO   58   8.82 +/- 1.11   1.764% *  0.1360% (0.83   1.0   0.02  40.17) =   0.003%
          QD    PHE   60 - HB3   PRO   58   7.83 +/- 0.93   3.827% *  0.0382% (0.23   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HB3   PRO   58  10.17 +/- 0.86   0.453% *  0.1049% (0.64   1.0   0.02   0.02) =   0.001%
          HN    HIS  122 - HB3   PRO   58  15.00 +/- 1.64   0.049% *  0.0272% (0.17   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  25.54 +/- 2.14   0.002% *  0.0212% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.30 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   2.38 +/- 0.20  99.984% * 99.7269% (0.95  10.0   5.39 146.67) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58  10.66 +/- 1.47   0.016% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  25.70 +/- 1.58   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  27.75 +/- 1.20   0.000% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  28.31 +/- 0.94   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  99.872% * 99.2991% (0.76  10.0   4.50 146.67) = 100.000%  kept
          HA    THR   46 - HG3   PRO   58  12.99 +/- 0.94   0.079% *  0.1254% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  15.49 +/- 1.34   0.029% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  17.66 +/- 0.81   0.012% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  21.07 +/- 1.28   0.004% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  22.75 +/- 0.94   0.003% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  27.09 +/- 1.85   0.001% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  29.68 +/- 0.90   0.001% *  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 = 5.48, residual support = 24.3:
          HN    ALA   57 - HD2   PRO   58   2.54 +/- 0.94  91.128% * 98.5621% (0.54   5.49  24.28) =  99.959%  kept
          HE21  GLN  116 - HD2   PRO   58  12.25 +/- 3.79   8.854% *  0.4106% (0.61   0.02   0.02) =   0.040%
          HN    ALA  120 - HD2   PRO   58  14.09 +/- 1.70   0.015% *  0.6126% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  19.35 +/- 1.63   0.001% *  0.2382% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  17.72 +/- 1.87   0.002% *  0.1765% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 2 structures by 0.14 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   3.95 +/- 0.07  98.069% * 99.2639% (0.72  10.0   6.52 146.67) =  99.999%  kept
          HA    THR   46 - HD3   PRO   58  10.64 +/- 0.91   0.297% *  0.1254% (0.91   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD3   PRO   58  15.09 +/- 1.09   0.035% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   68  10.01 +/- 1.30   0.579% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  10.39 +/- 1.45   0.423% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  15.65 +/- 0.74   0.027% *  0.0487% (0.36   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  11.10 +/- 0.85   0.223% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  20.48 +/- 0.99   0.005% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  11.50 +/- 1.53   0.224% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  21.14 +/- 0.76   0.004% *  0.0788% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  14.96 +/- 1.30   0.039% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.62 +/- 1.35   0.045% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  26.79 +/- 1.54   0.001% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  16.36 +/- 1.41   0.023% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  28.44 +/- 0.70   0.001% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  20.87 +/- 1.36   0.005% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.535, support = 3.86, residual support = 24.3:
          HN    ALA   57 - HD3   PRO   58   2.36 +/- 0.81  93.880% * 97.8576% (0.54   3.86  24.28) =  99.963%  kept
          HE21  GLN  116 - HD3   PRO   58  11.28 +/- 3.41   5.758% *  0.5797% (0.61   0.02   0.02) =   0.036%
          HN    ALA  120 - HD3   PRO   58  13.01 +/- 1.47   0.016% *  0.8648% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68   9.39 +/- 1.99   0.276% *  0.0149% (0.02   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  12.72 +/- 1.46   0.031% *  0.0383% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  17.83 +/- 1.87   0.003% *  0.2492% (0.26   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  18.55 +/- 1.29   0.002% *  0.3363% (0.36   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  15.10 +/- 2.16   0.009% *  0.0257% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  13.19 +/- 1.96   0.020% *  0.0110% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  17.73 +/- 1.52   0.005% *  0.0225% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 2 structures by 0.13 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 24.3:
          QB    ALA   57 - HD3   PRO   58   3.04 +/- 0.42  99.322% * 96.7335% (0.87   3.30  24.28) =  99.999%  kept
          HD2   LYS+  74 - HD3   PRO   58  11.38 +/- 1.35   0.062% *  0.6298% (0.94   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   PRO   58  10.78 +/- 1.49   0.080% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  14.32 +/- 1.62   0.014% *  0.5698% (0.85   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  10.72 +/- 2.35   0.268% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  15.59 +/- 1.93   0.009% *  0.3343% (0.50   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   9.45 +/- 0.83   0.157% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  16.63 +/- 1.55   0.005% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  12.43 +/- 1.26   0.034% *  0.0148% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  22.67 +/- 1.70   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  21.36 +/- 1.66   0.001% *  0.2612% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  14.44 +/- 2.36   0.015% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  15.91 +/- 1.53   0.007% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  15.30 +/- 1.30   0.007% *  0.0260% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  14.01 +/- 1.23   0.015% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  26.23 +/- 0.86   0.000% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  24.84 +/- 1.87   0.000% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  25.52 +/- 2.85   0.000% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 24.3:
        T QB    ALA   57 - HD2   PRO   58   2.05 +/- 0.23  99.983% * 97.4262% (0.87 10.00   5.07  24.28) = 100.000%  kept
        T HD2   LYS+  74 - HD2   PRO   58  11.49 +/- 1.45   0.007% *  1.0461% (0.94 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   PRO   58  10.73 +/- 1.49   0.009% *  0.5137% (0.46 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  15.30 +/- 1.64   0.001% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  21.69 +/- 1.61   0.000% *  0.4339% (0.39 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  16.72 +/- 1.99   0.000% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  17.52 +/- 1.82   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  26.91 +/- 1.18   0.000% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  22.97 +/- 1.86   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 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  99.990% * 99.6708% (0.89  10.0 10.00   7.73 146.67) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   8.63 +/- 1.34   0.010% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  17.68 +/- 1.62   0.000% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  23.29 +/- 1.53   0.000% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  15.21 +/- 1.88   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  26.01 +/- 1.09   0.000% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  14.36 +/- 1.44   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  26.79 +/- 0.75   0.000% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  22.51 +/- 1.25   0.000% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  27.45 +/- 2.92   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.73, residual support = 146.7:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.992% * 99.5891% (0.95  10.0 10.00   7.73 146.67) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.65 +/- 0.44   0.007% *  0.0446% (0.42   1.0  1.00   0.02   1.02) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  17.68 +/- 1.62   0.000% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  16.29 +/- 1.36   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   3.48 +/- 0.47  98.920% * 99.0698% (0.69   6.65  40.17) =  99.998%  kept
          QE    PHE   59 - HD2   PRO   58   8.33 +/- 1.08   1.066% *  0.1399% (0.32   0.02  40.17) =   0.002%
          HN    HIS  122 - HD2   PRO   58  16.00 +/- 1.55   0.013% *  0.4022% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  23.77 +/- 1.97   0.001% *  0.3881% (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 = 20.2:
        T QG1   ILE   56 - HB3   PHE   59   3.15 +/- 0.73  99.989% * 99.6917% (0.53 10.00   3.00  20.23) = 100.000%  kept
          HB    ILE   89 - HB3   PHE   59  17.62 +/- 1.33   0.006% *  0.1857% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PHE   59  18.89 +/- 1.11   0.005% *  0.1226% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.466, support = 0.692, residual support = 6.02:
          HB3   ASP-  62 - HB3   PHE   59   5.24 +/- 0.79  41.075% * 68.5125% (0.45   0.75   6.53) =  91.133%  kept
          QE    LYS+ 112 - HB3   PHE   59   6.04 +/- 3.21  53.088% *  3.2631% (0.80   0.02   0.02) =   5.610%  kept
          HB    VAL  107 - HB3   PHE   59   7.43 +/- 1.30   5.729% * 17.4937% (0.38   0.23   2.15) =   3.246%  kept
          HB3   PHE   45 - HB3   PHE   59  13.01 +/- 0.89   0.103% *  3.2631% (0.80   0.02   0.02) =   0.011%
          HB3   ASP-  86 - HB3   PHE   59  23.00 +/- 1.54   0.003% *  3.5349% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB3   PHE   59  26.80 +/- 1.21   0.001% *  3.9328% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.49, residual support = 20.2:
        T QG1   ILE   56 - HB2   PHE   59   2.86 +/- 0.75  99.959% * 99.0024% (0.18 10.00   2.49  20.23) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  13.13 +/- 1.43   0.027% *  0.1928% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  17.26 +/- 1.71   0.003% *  0.3657% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  18.23 +/- 1.52   0.004% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  19.64 +/- 2.28   0.004% *  0.1572% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  18.73 +/- 1.14   0.003% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 58.5:
      O   HN    PHE   59 - HB3   PHE   59   2.33 +/- 0.37  99.945% * 99.4232% (0.31  10.0   4.98  58.51) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  11.14 +/- 1.54   0.055% *  0.2794% (0.87   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  21.25 +/- 2.83   0.000% *  0.2974% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 58.5:
      O   HN    PHE   59 - HB2   PHE   59   2.52 +/- 0.37  95.784% * 99.7763% (1.00  10.0   4.37  58.51) =  99.996%  kept
          QE    PHE   59 - HB2   PHE   59   4.47 +/- 0.03   4.166% *  0.0799% (0.80   1.0   0.02  58.51) =   0.003%
          HN    HIS  122 - HB2   PHE   59  11.40 +/- 1.07   0.018% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   59  10.06 +/- 0.42   0.031% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  20.90 +/- 3.09   0.000% *  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 = 6.53:
          HB2   ASP-  62 - HA    PHE   59   3.22 +/- 0.33  99.903% * 97.0773% (0.99  1.00   1.50   6.53) =  99.998%  kept
        T QB    ASP- 113 - HA    PHE   59  11.38 +/- 1.00   0.077% *  2.2871% (0.18 10.00   0.02   0.02) =   0.002%
          HB2   PRO   52 - HA    PHE   59  13.80 +/- 0.77   0.020% *  0.6357% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.96, residual support = 6.53:
          HB3   ASP-  62 - HA    PHE   59   2.77 +/- 0.84  98.927% * 85.4423% (0.18  1.00   2.96   6.53) =  99.985%  kept
          HG3   GLN  116 - HA    PHE   59   7.87 +/- 1.34   1.057% *  1.1256% (0.34  1.00   0.02   0.65) =   0.014%
          HG3   MET   96 - HA    PHE   59  15.55 +/- 1.06   0.014% *  1.7360% (0.53  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   87 - HA    PHE   59  20.48 +/- 1.79   0.002% *  9.1744% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  26.25 +/- 2.17   0.001% *  2.5217% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 58.5:
      O   HN    PHE   59 - HA    PHE   59   2.74 +/- 0.03  96.641% * 99.7763% (1.00  10.0   4.97  58.51) =  99.997%  kept
          QE    PHE   59 - HA    PHE   59   4.92 +/- 0.33   3.129% *  0.0799% (0.80   1.0   0.02  58.51) =   0.003%
          HN    LYS+  66 - HA    PHE   59   7.91 +/- 0.56   0.183% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59  10.33 +/- 1.43   0.048% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  22.45 +/- 3.09   0.000% *  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 = 4.0, residual support = 20.3:
          HN    PHE   60 - HB3   PHE   59   3.55 +/- 0.46  94.547% * 98.7539% (0.61   4.00  20.26) =  99.990%  kept
          HN    GLN  116 - HB3   PHE   59   6.69 +/- 0.95   4.275% *  0.1426% (0.18   0.02   0.65) =   0.007%
          HN    THR  118 - HB3   PHE   59   8.39 +/- 1.28   1.175% *  0.3055% (0.38   0.02  10.48) =   0.004%
          HN    GLU-  15 - HB3   PHE   59  21.10 +/- 1.11   0.003% *  0.7980% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.992, support = 3.91, residual support = 71.1:
          QD    PHE   60 - HA    PHE   60   2.52 +/- 0.39  91.991% * 91.3491% (1.00   3.93  71.50) =  99.264%  kept
          QE    PHE   59 - HA    PHE   60   4.34 +/- 1.18   7.836% *  7.9390% (0.25   1.37  20.26) =   0.735%  kept
          HN    LYS+  66 - HA    PHE   60   7.48 +/- 0.48   0.173% *  0.3385% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    PHE   60  20.19 +/- 1.20   0.001% *  0.3733% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.94, residual support = 71.5:
      O   HN    PHE   60 - HA    PHE   60   2.81 +/- 0.04  99.903% * 99.7483% (0.61  10.0   4.94  71.50) = 100.000%  kept
          HN    THR  118 - HA    PHE   60  10.41 +/- 0.93   0.047% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60  10.40 +/- 1.03   0.048% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  16.55 +/- 0.89   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 = 4.99, residual support = 41.9:
      O   HN    ALA   61 - HA    PHE   60   3.63 +/- 0.01  99.953% * 99.5823% (0.84  10.0   4.99  41.90) = 100.000%  kept
          HN    ALA   91 - HA    PHE   60  17.00 +/- 1.14   0.011% *  0.1069% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  17.41 +/- 1.13   0.009% *  0.1182% (0.99   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  17.26 +/- 2.37   0.011% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  17.67 +/- 0.92   0.008% *  0.0580% (0.49   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  19.19 +/- 2.77   0.006% *  0.0627% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  20.91 +/- 0.87   0.003% *  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 = 0.176, support = 0.731, residual support = 0.769:
          HA    ALA   57 - HB2   PHE   60   3.98 +/- 1.20  86.377% * 42.7977% (0.15   0.75   0.73) =  97.362%  kept
          HA    ASP-  44 - HB2   PHE   60   6.95 +/- 1.15  13.470% *  7.3803% (1.00   0.02   2.22) =   2.618%  kept
          HB    THR   77 - HB2   PHE   60  14.30 +/- 0.90   0.046% *  7.2502% (0.98   0.02   0.02) =   0.009%
          HA    ILE  103 - HB2   PHE   60  17.07 +/- 1.23   0.020% *  6.8280% (0.92   0.02   0.02) =   0.004%
          HA1   GLY   51 - HB2   PHE   60  14.28 +/- 1.02   0.048% *  2.7761% (0.38   0.02   0.02) =   0.004%
          HA    GLU-  79 - HB2   PHE   60  17.68 +/- 1.03   0.013% *  4.1877% (0.57   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   PHE   60  18.26 +/- 1.19   0.012% *  3.6004% (0.49   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   PHE   60  21.10 +/- 0.93   0.004% *  7.2502% (0.98   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB2   PHE   60  19.08 +/- 1.23   0.007% *  3.0409% (0.41   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB2   PHE   60  22.23 +/- 1.27   0.003% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  25.54 +/- 1.73   0.001% *  3.8916% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  28.77 +/- 1.75   0.001% *  7.3967% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 1 structures by 0.12 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 71.5:
      O   QD    PHE   60 - HB2   PHE   60   2.40 +/- 0.15  99.906% * 99.7759% (0.76  10.0   3.76  71.50) = 100.000%  kept
          QD    PHE   55 - HB2   PHE   60   9.56 +/- 1.03   0.059% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   60   9.40 +/- 0.48   0.031% *  0.0363% (0.28   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  14.25 +/- 1.05   0.003% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  18.73 +/- 0.98   0.001% *  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 = 4.91, residual support = 41.9:
          HN    ALA   61 - HB2   PHE   60   2.76 +/- 0.51  99.979% * 95.7461% (0.38   4.91  41.90) = 100.000%  kept
          HD1   TRP   87 - HB2   PHE   60  16.61 +/- 1.77   0.005% *  0.9327% (0.90   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  17.17 +/- 1.25   0.004% *  0.8327% (0.80   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   PHE   60  15.55 +/- 0.90   0.007% *  0.4662% (0.45   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  19.58 +/- 1.14   0.002% *  0.9600% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  20.55 +/- 1.65   0.002% *  0.3547% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  22.40 +/- 1.17   0.001% *  0.5471% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  19.17 +/- 2.05   0.002% *  0.1605% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.8, residual support = 71.5:
      O   HN    PHE   60 - HB2   PHE   60   2.21 +/- 0.30  99.984% * 99.7483% (0.61  10.0   4.80  71.50) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  12.18 +/- 0.98   0.006% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  11.53 +/- 0.96   0.009% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  17.26 +/- 1.05   0.001% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 11.6:
        T QD1   LEU   63 - HA    PHE   60   2.87 +/- 0.65  90.589% * 98.2281% (1.00 10.00   3.24  11.61) =  99.993%  kept
          QD2   LEU   63 - HA    PHE   60   4.88 +/- 0.54   6.778% *  0.0556% (0.57  1.00   0.02  11.61) =   0.004%
          QD2   LEU  115 - HA    PHE   60   6.42 +/- 1.42   2.537% *  0.0820% (0.84  1.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - HA    PHE   60  10.52 +/- 0.61   0.062% *  0.9823% (1.00 10.00   0.02   1.90) =   0.001%
        T QD1   LEU  104 - HA    PHE   60  12.74 +/- 0.89   0.019% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  14.50 +/- 1.45   0.008% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  15.94 +/- 2.29   0.007% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 1 structures by 0.14 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   2.96 +/- 0.50  95.406% * 98.8172% (0.92 10.00   1.50  11.61) =  99.993%  kept
          HB3   ASP-  44 - HA    PHE   60   5.84 +/- 0.88   3.986% *  0.1399% (0.98  1.00   0.02   2.22) =   0.006%
          HB3   PRO   93 - HA    PHE   60   8.56 +/- 1.00   0.444% *  0.1238% (0.87  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    PHE   60  13.61 +/- 1.27   0.017% *  0.1377% (0.97  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    PHE   60  14.31 +/- 1.24   0.013% *  0.1424% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  10.63 +/- 0.80   0.067% *  0.0220% (0.15  1.00   0.02   1.90) =   0.000%
          QB    ALA   84 - HA    PHE   60  15.52 +/- 1.14   0.007% *  0.1280% (0.90  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  15.18 +/- 1.67   0.009% *  0.0866% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  13.35 +/- 0.91   0.018% *  0.0441% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  13.04 +/- 1.70   0.021% *  0.0318% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  18.27 +/- 2.01   0.003% *  0.1192% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  17.86 +/- 0.72   0.003% *  0.0980% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  17.18 +/- 1.04   0.004% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  21.85 +/- 0.98   0.001% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  20.74 +/- 1.02   0.001% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 0.985, residual support = 3.35:
        T QG2   VAL   18 - HA    ALA   61   3.52 +/- 1.02  95.279% * 91.3713% (0.34 10.00   0.99   3.35) =  99.889%  kept
          QD1   ILE   56 - HA    ALA   61   8.44 +/- 1.28   2.971% *  3.0394% (0.61  1.00   0.18   0.02) =   0.104%
          QD2   LEU   73 - HA    ALA   61   9.29 +/- 1.19   0.504% *  0.4712% (0.87  1.00   0.02   0.02) =   0.003%
        T QG1   VAL   41 - HA    ALA   61  14.09 +/- 0.81   0.048% *  4.1510% (0.76 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    ALA   61   8.54 +/- 1.01   1.037% *  0.1354% (0.25  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HA    ALA   61  11.48 +/- 0.82   0.148% *  0.3075% (0.57  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    ALA   61  17.42 +/- 1.27   0.013% *  0.5242% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 6 structures by 0.71 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.55, residual support = 7.42:
        T QB    ALA   64 - HA    ALA   61   2.67 +/- 0.40  99.899% * 98.7496% (0.34 10.00   2.55   7.42) = 100.000%  kept
        T QG1   VAL   75 - HA    ALA   61  12.27 +/- 0.84   0.018% *  1.0865% (0.38 10.00   0.02   0.02) =   0.000%
          QD1   LEU  115 - HA    ALA   61   9.50 +/- 0.94   0.083% *  0.1639% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 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   3.43 +/- 0.23 100.000% *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   2.81 +/- 0.03  99.993% * 98.9218% (0.38  10.0   2.76  17.99) = 100.000%  kept
          HN    TRP   27 - HA    ALA   61  17.78 +/- 1.28   0.002% *  0.2111% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ALA   61  18.25 +/- 0.82   0.001% *  0.2433% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ALA   61  20.04 +/- 1.93   0.001% *  0.2364% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  19.73 +/- 0.89   0.001% *  0.1182% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  21.41 +/- 0.83   0.001% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  21.32 +/- 1.49   0.001% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  22.47 +/- 2.45   0.000% *  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 = 3.79, residual support = 71.1:
      O   QD    PHE   60 - HB3   PHE   60   2.61 +/- 0.17  87.462% * 94.1617% (0.73  10.0   3.81  71.50) =  99.247%  kept
          QE    PHE   59 - HB3   PHE   60   5.17 +/- 1.70  11.096% *  5.6242% (0.65   1.0   1.34  20.26) =   0.752%  kept
          HN    PHE   59 - HB3   PHE   60   5.32 +/- 0.39   1.400% *  0.0361% (0.28   1.0   0.02  20.26) =   0.001%
          HN    LYS+  66 - HB3   PHE   60   9.47 +/- 0.53   0.041% *  0.1294% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  18.45 +/- 1.04   0.001% *  0.0487% (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 = 71.5:
      O   HN    PHE   60 - HB3   PHE   60   2.61 +/- 0.37  99.998% * 99.5797% (0.20  10.0   4.94  71.50) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  17.23 +/- 1.08   0.002% *  0.4203% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.846, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  16.08 +/- 2.10  41.487% * 23.9067% (0.95   0.02   0.02) =  52.253%  kept
          HN    THR   39 - HB3   PHE   60  18.99 +/- 0.92  12.873% * 23.3294% (0.92   0.02   0.02) =  15.822%  kept
          HN    TRP   27 - HB3   PHE   60  16.67 +/- 1.26  29.129% *  8.6206% (0.34   0.02   0.02) =  13.229%  kept
          HN    LYS+ 102 - HB3   PHE   60  19.78 +/- 1.70  10.861% * 20.2366% (0.80   0.02   0.02) =  11.579%  kept
          HN    GLU-  36 - HB3   PHE   60  21.78 +/- 0.93   5.650% * 23.9067% (0.95   0.02   0.02) =   7.117%  kept
    Distance limit 3.56 A violated in 20 structures by 9.88 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   2.18 +/- 0.21  99.991% * 58.7581% (0.33  1.00   2.31   5.56) =  99.999%  kept
        T HA    ASN   28 - QB    ALA   84  13.26 +/- 1.92   0.003% * 13.7635% (0.89 10.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - QB    ALA   84  13.54 +/- 1.66   0.004% *  1.2933% (0.84  1.00   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA   84  20.05 +/- 1.75   0.000% * 11.3945% (0.74 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  16.92 +/- 1.35   0.001% *  1.3372% (0.87  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  27.66 +/- 1.52   0.000% * 11.3945% (0.74 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  14.65 +/- 1.52   0.001% *  0.2301% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  20.09 +/- 2.69   0.000% *  0.8441% (0.55  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  19.23 +/- 1.36   0.000% *  0.6130% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  23.82 +/- 1.94   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 = 0.183, support = 2.19, residual support = 19.2:
          HA    SER   85 - QB    ALA   84   3.81 +/- 0.05  25.146% * 37.5907% (0.15  1.00   2.33  20.72) =  92.617%  kept
          HA    ASP-  86 - QB    ALA   84   6.53 +/- 0.07   0.998% * 51.2050% (0.84  1.00   0.56   0.02) =   5.005%  kept
          HB    THR   77 - QB    ALA   84   3.26 +/- 1.05  73.057% *  0.3227% (0.15  1.00   0.02   0.02) =   2.310%  kept
          HA    TRP   87 - QB    ALA   84   6.87 +/- 0.18   0.735% *  0.5815% (0.27  1.00   0.02   0.02) =   0.042%
        T HA    ASP-  44 - QB    ALA   84  10.57 +/- 1.09   0.062% *  4.1388% (0.19 10.00   0.02   0.02) =   0.025%
          HA    LEU  104 - QB    ALA   84  20.05 +/- 1.95   0.001% *  2.0183% (0.93  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    ALA   84  24.18 +/- 1.57   0.000% *  1.9306% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  28.58 +/- 2.76   0.000% *  1.7469% (0.81  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  30.75 +/- 3.40   0.000% *  0.4656% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.25, residual support = 18.3:
      O   HN    ALA   84 - QB    ALA   84   2.05 +/- 0.05  99.930% * 98.8488% (0.30  10.0   4.25  18.30) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   7.49 +/- 0.88   0.060% *  0.2326% (0.70   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84  11.26 +/- 1.90   0.005% *  0.2872% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  14.05 +/- 0.93   0.001% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  12.12 +/- 1.17   0.003% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  15.67 +/- 2.00   0.001% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  18.28 +/- 1.00   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   2.73 +/- 0.12  97.587% * 98.8043% (0.77   3.87  20.72) =  99.995%  kept
          HN    LEU   80 - QB    ALA   84   5.22 +/- 0.39   2.387% *  0.1969% (0.30   0.02   0.02) =   0.005%
          HN    CYS   53 - QB    ALA   84  11.38 +/- 1.12   0.022% *  0.0984% (0.15   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    ALA   84  16.95 +/- 2.05   0.002% *  0.6380% (0.97   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  18.62 +/- 1.83   0.001% *  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 = 24.2:
          HN    LEU  123 - QB    ALA  120   3.87 +/- 0.14  95.419% * 42.6516% (0.94   0.02  24.96) =  97.145%  kept
          HN    ALA  124 - QB    ALA  120   6.43 +/- 0.22   4.575% * 26.1005% (0.57   0.02   0.02) =   2.850%  kept
          HE21  GLN   17 - QB    ALA  120  20.04 +/- 2.19   0.006% * 31.2479% (0.69   0.02   0.02) =   0.005%
    Distance limit 2.74 A violated in 19 structures by 1.10 A, eliminated.
    Peak unassigned.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.18, residual support = 5.95:
        T HA    SER  117 - QB    ALA  120   3.02 +/- 0.30  99.965% * 99.1094% (0.54 10.00   2.18   5.95) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  14.24 +/- 1.00   0.011% *  0.1656% (0.89  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  16.21 +/- 1.67   0.006% *  0.0991% (0.54  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  13.71 +/- 1.04   0.015% *  0.0307% (0.17  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  20.73 +/- 1.34   0.001% *  0.1202% (0.65  1.00   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  25.38 +/- 1.17   0.000% *  0.3897% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  26.43 +/- 0.96   0.000% *  0.0852% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.02, residual support = 18.0:
      O   HN    ALA   61 - QB    ALA   61   2.06 +/- 0.08  99.974% * 99.3531% (0.97  10.0   4.02  17.99) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110   9.80 +/- 1.60   0.012% *  0.0755% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110  11.31 +/- 2.35   0.006% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  14.46 +/- 2.60   0.003% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  13.11 +/- 2.37   0.003% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  16.05 +/- 1.37   0.001% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  16.43 +/- 0.61   0.000% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  19.64 +/- 1.63   0.000% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.15 +/- 0.72   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  19.91 +/- 1.67   0.000% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  17.35 +/- 1.24   0.000% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.82 +/- 0.84   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   2.74 +/- 0.15  99.750% * 99.6796% (0.87  10.0   2.12   9.59) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110   9.20 +/- 1.72   0.101% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61  10.09 +/- 0.53   0.045% *  0.0550% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61   9.57 +/- 0.91   0.078% *  0.0236% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  13.40 +/- 1.90   0.009% *  0.0738% (0.64   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  12.26 +/- 1.60   0.015% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  18.75 +/- 1.44   0.001% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.52 +/- 2.05   0.001% *  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 = 0.993, support = 2.77, residual support = 8.26:
          HN    ASP-  62 - QB    ALA   61   2.82 +/- 0.17  92.401% * 86.8739% (1.00   2.79   8.32) =  99.235%  kept
          HN    PHE   55 - QB    ALA  110   6.40 +/- 3.69   6.172% *  9.9305% (0.33   0.96   0.20) =   0.758%  kept
          HN    ARG+  54 - QB    ALA  110   7.38 +/- 3.44   1.292% *  0.4009% (0.64   0.02   0.02) =   0.006%
          HN    ARG+  54 - QB    ALA   61  10.34 +/- 0.80   0.041% *  0.5417% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   61   9.79 +/- 1.18   0.065% *  0.2800% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA  110  12.00 +/- 2.23   0.024% *  0.4611% (0.74   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  16.51 +/- 1.11   0.003% *  0.6121% (0.98   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  20.48 +/- 1.00   0.001% *  0.4530% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  19.17 +/- 0.72   0.001% *  0.2567% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  24.42 +/- 0.80   0.000% *  0.1900% (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 = 0.868, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  18.85 +/- 1.56  45.025% * 28.1529% (1.00   0.02   0.02) =  53.825%  kept
          HA    GLU-  14 - HB2   ASP-  62  19.51 +/- 1.28  36.557% * 21.5631% (0.76   0.02   0.02) =  33.472%  kept
          HA    ALA   12 - HB2   ASP-  62  25.68 +/- 1.58   7.009% * 18.2527% (0.65   0.02   0.02) =   5.432%  kept
          HA    TRP   87 - HB2   ASP-  62  25.48 +/- 1.89   7.414% * 12.6499% (0.45   0.02   0.02) =   3.982%  kept
          HA    ASP-  86 - HB2   ASP-  62  28.08 +/- 1.42   3.995% * 19.3814% (0.69   0.02   0.02) =   3.288%  kept
    Distance limit 3.40 A violated in 20 structures by 12.86 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.805, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB3   ASP-  62  18.84 +/- 1.51  44.874% * 10.2586% (0.98  1.00   0.02   0.02) =  40.311%  kept
        T HA    ASP-  86 - HB3   ASP-  62  27.52 +/- 1.70   4.526% * 70.6236% (0.67 10.00   0.02   0.02) =  27.988%  kept
          HA    GLU-  14 - HB3   ASP-  62  19.61 +/- 1.36  35.466% *  7.8573% (0.75  1.00   0.02   0.02) =  24.402%  kept
          HA    ALA   12 - HB3   ASP-  62  25.86 +/- 1.78   6.664% *  6.6511% (0.63  1.00   0.02   0.02) =   3.881%  kept
          HA    TRP   87 - HB3   ASP-  62  24.94 +/- 1.99   8.469% *  4.6095% (0.44  1.00   0.02   0.02) =   3.418%  kept
    Distance limit 3.14 A violated in 20 structures by 13.14 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 = 3.22:
          HN    LYS+  65 - HA    ASP-  62   3.44 +/- 0.17 100.000% *100.0000% (0.15   0.75   3.22) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.78 +/- 0.04  99.989% * 99.7294% (1.00  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  15.40 +/- 0.60   0.004% *  0.0867% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  14.10 +/- 0.79   0.006% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  21.32 +/- 0.63   0.001% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  22.50 +/- 0.65   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 = 42.5:
          HN    LEU   63 - HB2   ASP-  62   3.17 +/- 0.57  99.867% * 98.7130% (0.97   5.24  42.46) = 100.000%  kept
          HN    ILE   56 - HB2   ASP-  62  10.72 +/- 0.67   0.107% *  0.3500% (0.90   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   ASP-  62  14.08 +/- 1.92   0.023% *  0.2053% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  23.30 +/- 2.92   0.001% *  0.1900% (0.49   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  23.82 +/- 1.15   0.001% *  0.2681% (0.69   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  24.51 +/- 1.12   0.001% *  0.2053% (0.53   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  28.76 +/- 0.85   0.000% *  0.0683% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.02 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   2.83 +/- 0.46  99.991% * 99.6462% (0.69  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  14.36 +/- 0.79   0.008% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  23.17 +/- 1.09   0.001% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  21.87 +/- 0.65   0.001% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.5:
          HN    LEU   63 - HB3   ASP-  62   2.93 +/- 0.52  99.893% * 98.7130% (0.95   5.24  42.46) = 100.000%  kept
          HN    ILE   56 - HB3   ASP-  62  10.16 +/- 0.84   0.091% *  0.3500% (0.88   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   ASP-  62  13.68 +/- 2.06   0.014% *  0.2053% (0.52   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  23.44 +/- 1.23   0.001% *  0.2681% (0.67   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  22.77 +/- 2.99   0.001% *  0.1900% (0.48   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  23.90 +/- 1.50   0.000% *  0.2053% (0.52   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  28.58 +/- 1.14   0.000% *  0.0683% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 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   2.33 +/- 0.22  99.992% * 99.7294% (0.98  10.0   3.84  41.03) = 100.000%  kept
          HN    PHE   55 - HB3   ASP-  62  12.24 +/- 0.85   0.005% *  0.0448% (0.44   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   ASP-  62  13.78 +/- 0.87   0.003% *  0.0867% (0.85   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  21.61 +/- 0.93   0.000% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  23.18 +/- 0.81   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 = 0.987, support = 2.35, residual support = 6.05:
          QB    LYS+  66 - HA    LEU   63   2.56 +/- 0.50  96.406% * 52.4511% (1.00   2.32   6.20) =  97.045%  kept
          QB    LYS+  65 - HA    LEU   63   5.17 +/- 0.46   3.400% * 45.2750% (0.57   3.53   1.20) =   2.954%  kept
          HG    LEU  123 - HA    LEU   63   8.57 +/- 1.22   0.159% *  0.2563% (0.57   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LEU   63  12.13 +/- 0.98   0.020% *  0.2382% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   63  14.34 +/- 1.07   0.006% *  0.4282% (0.95   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  14.96 +/- 1.07   0.004% *  0.4060% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  16.86 +/- 1.31   0.002% *  0.3781% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  17.51 +/- 1.53   0.002% *  0.3109% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  18.20 +/- 1.20   0.001% *  0.2563% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.535, support = 1.6, residual support = 6.3:
          HN    LYS+  66 - HA    LEU   63   3.39 +/- 0.25  94.207% * 51.1045% (0.53   1.61   6.20) =  98.037%  kept
          QD    PHE   60 - HA    LEU   63   6.68 +/- 0.55   2.012% * 47.5920% (0.97   0.82  11.61) =   1.950%  kept
          QE    PHE   59 - HA    LEU   63   6.38 +/- 0.93   3.780% *  0.1631% (0.14   0.02   0.24) =   0.013%
          HN    LYS+  81 - HA    LEU   63  25.12 +/- 1.27   0.001% *  1.1403% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 241.5:
      O   HN    LEU   63 - HA    LEU   63   2.80 +/- 0.03  99.984% * 99.6457% (1.00  10.0   7.54 241.52) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  13.32 +/- 0.58   0.009% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  15.14 +/- 2.09   0.005% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  21.58 +/- 1.20   0.001% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  21.69 +/- 3.97   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  23.98 +/- 1.83   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  25.32 +/- 1.09   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   2.96 +/- 0.50  99.294% * 98.4768% (0.49 10.00   1.50  11.61) =  99.999%  kept
          QB    SER  117 - HB2   LEU   63  11.07 +/- 1.11   0.077% *  0.2644% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   LEU   63   7.81 +/- 0.25   0.397% *  0.0472% (0.18  1.00   0.02   1.20) =   0.000%
          HA    ALA  120 - HB2   LEU   63  10.18 +/- 1.18   0.123% *  0.1419% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  11.98 +/- 1.20   0.049% *  0.2490% (0.92  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  12.91 +/- 1.10   0.022% *  0.2340% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  12.45 +/- 1.11   0.030% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  17.68 +/- 1.69   0.004% *  0.2062% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  18.09 +/- 1.19   0.003% *  0.2603% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  22.76 +/- 1.57   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 = 53.5:
          HN    ALA   64 - HB2   LEU   63   3.01 +/- 0.31 100.000% *100.0000% (0.57   6.78  53.54) = 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 = 2.7, residual support = 18.1:
          QE    PHE   72 - HB2   LEU   63   3.90 +/- 1.32  99.863% * 99.3628% (0.99   2.70  18.05) = 100.000%  kept
          HN    ALA   47 - HB2   LEU   63  14.83 +/- 0.85   0.117% *  0.3324% (0.45   0.02   0.02) =   0.000%
          HD22  ASN   28 - HB2   LEU   63  19.35 +/- 1.00   0.020% *  0.3048% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 4 structures by 0.51 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.88, residual support = 241.5:
      O   HN    LEU   63 - HB2   LEU   63   2.12 +/- 0.08  99.992% * 99.6457% (1.00  10.0   7.88 241.52) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  11.27 +/- 0.72   0.005% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  13.40 +/- 2.39   0.002% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  19.32 +/- 3.92   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  19.52 +/- 1.23   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  21.32 +/- 1.94   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  24.35 +/- 1.14   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 = 42.5:
          HN    ASP-  62 - HB2   LEU   63   4.46 +/- 0.11  99.747% * 98.5495% (0.76   4.54  42.46) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.57 +/- 0.87   0.134% *  0.5093% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  14.70 +/- 0.73   0.081% *  0.2335% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  17.42 +/- 1.06   0.031% *  0.4743% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  22.74 +/- 2.19   0.007% *  0.2335% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.74, residual support = 53.5:
          HN    ALA   64 - HB3   LEU   63   3.61 +/- 0.46 100.000% *100.0000% (0.57   6.74  53.54) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.09, residual support = 18.1:
        T HZ    PHE   72 - HB3   LEU   63   4.28 +/- 1.69  99.759% * 99.9822% (0.87 10.00   3.09  18.05) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  14.97 +/- 1.37   0.241% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 6 structures by 0.84 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.53, residual support = 241.5:
      O   HN    LEU   63 - HB3   LEU   63   3.40 +/- 0.10  99.927% * 99.6457% (1.00  10.0   7.53 241.52) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.84 +/- 0.75   0.036% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  14.26 +/- 2.46   0.026% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  19.49 +/- 1.53   0.003% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  19.54 +/- 4.31   0.005% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  22.02 +/- 2.24   0.002% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  23.61 +/- 1.44   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 = 7.47, residual support = 241.5:
          HN    LEU   63 - HG    LEU   63   3.05 +/- 0.30  95.963% * 98.9300% (0.76   7.47 241.52) =  99.997%  kept
          QE    PHE   60 - HG    LEU   63   7.09 +/- 1.57   3.977% *  0.0686% (0.20   0.02  11.61) =   0.003%
          HN    ILE   56 - HG    LEU   63  11.75 +/- 0.80   0.032% *  0.2241% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  13.13 +/- 1.90   0.023% *  0.0963% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  20.01 +/- 4.27   0.003% *  0.2648% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  20.49 +/- 1.68   0.002% *  0.3198% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  22.18 +/- 2.25   0.001% *  0.0963% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.135, support = 3.23, residual support = 11.6:
        T HA    PHE   60 - QD1   LEU   63   2.87 +/- 0.65  93.456% * 81.7317% (0.14 10.00   3.24  11.61) =  99.904%  kept
          HA    ALA  120 - QD1   LEU   63   7.87 +/- 1.12   0.757% *  8.1077% (0.95  1.00   0.28   0.02) =   0.080%
          HA    LYS+ 121 - QD1   LEU  104   7.51 +/- 1.64   4.217% *  0.1365% (0.23  1.00   0.02   0.02) =   0.008%
          QB    SER  117 - QD1   LEU   63   7.80 +/- 0.93   0.501% *  0.3663% (0.61  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD1   LEU   63   8.81 +/- 1.01   0.276% *  0.5575% (0.92  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - QD1   LEU   63   8.42 +/- 0.24   0.203% *  0.3419% (0.57  1.00   0.02   1.20) =   0.001%
          HB    THR   94 - QD1   LEU   63   9.55 +/- 1.37   0.100% *  0.5828% (0.97  1.00   0.02   0.02) =   0.001%
        T HA    PHE   60 - QD1   LEU   73  10.52 +/- 0.61   0.066% *  0.8173% (0.14 10.00   0.02   1.90) =   0.001%
          HB    THR   94 - QD1   LEU   73  10.60 +/- 0.90   0.056% *  0.5828% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU  104  10.54 +/- 1.60   0.130% *  0.1398% (0.23  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  12.22 +/- 1.04   0.032% *  0.3907% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   63  11.98 +/- 0.72   0.028% *  0.3907% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  10.74 +/- 1.19   0.070% *  0.0897% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  12.99 +/- 0.71   0.018% *  0.3419% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  14.06 +/- 0.90   0.009% *  0.6026% (1.00  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  14.81 +/- 1.56   0.008% *  0.6026% (1.00  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  12.74 +/- 0.89   0.020% *  0.2001% (0.03 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  14.24 +/- 1.81   0.010% *  0.3907% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  15.00 +/- 0.81   0.006% *  0.5239% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  16.91 +/- 0.85   0.004% *  0.5575% (0.92  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  17.58 +/- 1.13   0.003% *  0.5713% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  16.30 +/- 0.57   0.004% *  0.3663% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  14.33 +/- 0.79   0.009% *  0.1427% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  19.04 +/- 1.27   0.002% *  0.5239% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  18.14 +/- 1.63   0.002% *  0.3907% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  15.06 +/- 1.42   0.007% *  0.0837% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  16.01 +/- 1.64   0.006% *  0.0956% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  21.92 +/- 0.93   0.001% *  0.1475% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  20.85 +/- 2.35   0.001% *  0.0956% (0.16  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  24.13 +/- 1.00   0.000% *  0.1282% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 1 structures by 0.05 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 2.34, residual support = 18.6:
        T HZ3   TRP   27 - QD1   LEU   73   4.12 +/- 2.11  85.449% * 98.4449% (0.49 10.00   2.35  18.63) =  99.969%  kept
          HZ    PHE   45 - QD1   LEU   73   7.20 +/- 0.57  12.484% *  0.1469% (0.73  1.00   0.02   0.02) =   0.022%
        T HZ3   TRP   27 - QD1   LEU   63  11.73 +/- 1.70   0.604% *  0.9844% (0.49 10.00   0.02   0.02) =   0.007%
          HZ    PHE   45 - QD1   LEU   63  11.52 +/- 1.35   0.939% *  0.1469% (0.73  1.00   0.02   0.02) =   0.002%
        T HZ3   TRP   27 - QD1   LEU  104  13.79 +/- 1.70   0.196% *  0.2410% (0.12 10.00   0.02   0.02) =   0.001%
          HZ    PHE   45 - QD1   LEU  104  14.03 +/- 1.14   0.328% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 10 structures by 1.27 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.694, support = 0.98, residual support = 6.34:
          QD    PHE   60 - QD1   LEU   63   3.93 +/- 0.95  18.772% * 44.7723% (0.87   1.39  11.61) =  53.000%  kept
          QE    PHE   59 - QD1   LEU   63   2.64 +/- 1.08  79.705% *  9.0988% (0.49   0.50   0.24) =  45.733%  kept
          HN    LYS+  66 - QD1   LEU   63   6.27 +/- 0.27   0.464% * 42.8274% (0.95   1.22   6.20) =   1.254%  kept
          HN    PHE   59 - QD1   LEU   63   5.80 +/- 0.71   0.878% *  0.1303% (0.18   0.02   0.24) =   0.007%
          QD    PHE   60 - QD1   LEU   73   8.23 +/- 0.64   0.115% *  0.6454% (0.87   0.02   1.90) =   0.005%
          QE    PHE   59 - QD1   LEU   73  10.93 +/- 1.49   0.015% *  0.3622% (0.49   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU   73  12.92 +/- 0.36   0.005% *  0.7038% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  12.92 +/- 1.33   0.006% *  0.3914% (0.53   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU  104  10.32 +/- 1.76   0.019% *  0.0886% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  12.16 +/- 1.09   0.009% *  0.1580% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  12.93 +/- 1.25   0.005% *  0.1723% (0.23   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  14.58 +/- 0.65   0.003% *  0.1303% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  18.38 +/- 1.54   0.001% *  0.3914% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  15.93 +/- 0.87   0.001% *  0.0319% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  23.09 +/- 1.76   0.000% *  0.0958% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.762, support = 6.32, residual support = 233.1:
          HN    LEU   63 - QD1   LEU   63   3.55 +/- 0.28  77.940% * 70.8850% (0.76   6.49 241.52) =  96.460%  kept
          HD21  ASN   28 - QD1   LEU   73   6.08 +/- 1.12   6.212% * 22.1261% (0.92   1.68   1.12) =   2.400%  kept
          QE    PHE   60 - QD1   LEU   63   5.32 +/- 1.04  12.859% *  5.0559% (0.20   1.79  11.61) =   1.135%  kept
          QE    PHE   60 - QD1   LEU   73   6.97 +/- 0.83   1.696% *  0.0566% (0.20   0.02   1.90) =   0.002%
          HZ2   TRP   87 - QD1   LEU   73   9.74 +/- 3.22   0.394% *  0.2184% (0.76   0.02   0.02) =   0.002%
          HN    ILE   56 - QD1   LEU   63   9.21 +/- 0.61   0.278% *  0.1849% (0.65   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU   63   9.80 +/- 1.80   0.285% *  0.0795% (0.28   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   73  12.26 +/- 0.68   0.050% *  0.2184% (0.76   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  15.06 +/- 3.62   0.028% *  0.2184% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73  12.37 +/- 1.85   0.060% *  0.0795% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  15.79 +/- 1.24   0.012% *  0.2639% (0.92   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  12.91 +/- 1.06   0.043% *  0.0535% (0.19   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  15.85 +/- 0.66   0.011% *  0.1849% (0.65   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  16.34 +/- 4.28   0.019% *  0.0535% (0.19   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  12.27 +/- 1.61   0.070% *  0.0138% (0.05   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  17.02 +/- 1.95   0.009% *  0.0795% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  16.24 +/- 1.65   0.010% *  0.0646% (0.23   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  17.58 +/- 1.40   0.006% *  0.0795% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  16.08 +/- 1.55   0.011% *  0.0195% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  18.75 +/- 0.95   0.004% *  0.0453% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  20.83 +/- 2.40   0.003% *  0.0195% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.8:
      O   HN    ALA   64 - HA    ALA   64   2.82 +/- 0.04 100.000% *100.0000% (0.97  10.0   4.22  20.76) = 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 = 0.741, support = 2.91, residual support = 38.8:
        T QD    PHE   72 - HA    ALA   64   3.17 +/- 0.44  47.347% * 60.4788% (0.87 10.00   3.09  38.83) =  57.946%  kept
        T HZ    PHE   72 - HA    ALA   64   3.14 +/- 0.62  52.647% * 39.4733% (0.57 10.00   2.66  38.83) =  42.054%  kept
          QE    PHE   45 - HA    ALA   64  13.51 +/- 0.62   0.007% *  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 = 1.25, residual support = 4.06:
          HN    LEU   67 - HA    ALA   64   3.12 +/- 0.26  99.311% * 83.4893% (0.87   1.25   4.07) =  99.907%  kept
          QE    PHE   95 - HA    ALA   64   8.75 +/- 1.65   0.659% * 11.7201% (0.98   0.16   0.02) =   0.093%
          HE3   TRP   27 - HA    ALA   64  14.95 +/- 1.14   0.010% *  0.8733% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  15.60 +/- 1.48   0.008% *  0.9979% (0.65   0.02   0.02) =   0.000%
          HN    THR   23 - HA    ALA   64  17.52 +/- 0.79   0.004% *  1.5289% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  15.43 +/- 1.05   0.008% *  0.5789% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  23.17 +/- 1.22   0.001% *  0.8116% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.833, support = 2.36, residual support = 8.62:
          QG2   VAL   18 - QB    ALA   64   2.60 +/- 0.55  98.108% * 58.0375% (0.84   2.35   8.67) =  99.448%  kept
          QD2   LEU   73 - QB    ALA   64   6.28 +/- 0.62   0.791% * 39.5822% (0.38   3.57   0.19) =   0.547%  kept
          QD1   ILE   19 - QB    ALA   64   6.90 +/- 1.21   0.561% *  0.2220% (0.38   0.02   0.02) =   0.002%
          QG2   THR   46 - QB    ALA   64   8.14 +/- 0.77   0.170% *  0.4296% (0.73   0.02   0.02) =   0.001%
          QG1   VAL   43 - QB    ALA   64   8.61 +/- 0.47   0.116% *  0.5799% (0.98   0.02   0.02) =   0.001%
          QG1   VAL   41 - QB    ALA   64   9.95 +/- 0.57   0.049% *  0.5864% (0.99   0.02   0.02) =   0.001%
          QD1   ILE   56 - QB    ALA   64   8.43 +/- 1.01   0.173% *  0.1036% (0.18   0.02   0.02) =   0.000%
          HG    LEU   31 - QB    ALA   64  12.82 +/- 0.83   0.011% *  0.3113% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  104 - QB    ALA   64  12.34 +/- 1.27   0.020% *  0.1475% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.903, support = 1.26, residual support = 6.58:
          QB    ALA   61 - QB    ALA   64   3.88 +/- 0.36  66.467% * 16.2394% (0.92   1.17   7.42) =  69.845%  kept
          HB3   LEU   67 - QB    ALA   64   5.54 +/- 0.77  11.257% * 18.8470% (0.99   1.27   4.07) =  13.729%  kept
          QG    LYS+  66 - QB    ALA   64   6.21 +/- 0.47   4.623% * 28.3385% (0.98   1.93   7.79) =   8.477%  kept
          HG    LEU   67 - QB    ALA   64   5.68 +/- 1.07  12.017% *  5.5468% (0.28   1.33   4.07) =   4.313%  kept
          HG12  ILE   19 - QB    ALA   64   7.14 +/- 1.06   3.637% *  7.8462% (0.65   0.81   0.02) =   1.847%  kept
          HG    LEU   73 - QB    ALA   64   7.84 +/- 0.87   1.244% * 22.1600% (0.87   1.70   0.19) =   1.784%  kept
          HG    LEU   40 - QB    ALA   64   9.31 +/- 0.92   0.425% *  0.1125% (0.38   0.02   0.02) =   0.003%
          HB3   LEU  115 - QB    ALA   64  11.06 +/- 1.64   0.164% *  0.1125% (0.38   0.02   0.02) =   0.001%
          QB    ALA  110 - QB    ALA   64  12.51 +/- 1.91   0.078% *  0.2177% (0.73   0.02   0.02) =   0.001%
          HG    LEU   80 - QB    ALA   64  15.67 +/- 1.92   0.020% *  0.2291% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   64  13.68 +/- 1.42   0.042% *  0.0463% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  18.10 +/- 1.18   0.007% *  0.2291% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  15.49 +/- 1.68   0.020% *  0.0748% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.883, support = 1.71, residual support = 4.59:
          HB3   LEU   67 - HA    ALA   64   4.49 +/- 0.82  47.685% * 38.1462% (0.99   1.77   4.07) =  71.087%  kept
          HG    LEU   67 - HA    ALA   64   4.80 +/- 1.09  34.917% * 10.6366% (0.28   1.76   4.07) =  14.515%  kept
          QG    LYS+  66 - HA    ALA   64   6.38 +/- 0.41   7.730% * 34.0697% (0.98   1.60   7.79) =  10.293%  kept
          QB    ALA   61 - HA    ALA   64   6.39 +/- 0.29   6.950% * 15.0124% (0.92   0.75   7.42) =   4.078%  kept
          HG12  ILE   19 - HA    ALA   64   9.33 +/- 1.46   1.176% *  0.2805% (0.65   0.02   0.02) =   0.013%
          HG    LEU   73 - HA    ALA   64   9.79 +/- 0.92   0.599% *  0.3762% (0.87   0.02   0.19) =   0.009%
          HG    LEU   40 - HA    ALA   64   9.50 +/- 1.13   0.729% *  0.1628% (0.38   0.02   0.02) =   0.005%
          HB3   LEU  115 - HA    ALA   64  13.32 +/- 1.95   0.101% *  0.1628% (0.38   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ALA   64  15.56 +/- 2.11   0.039% *  0.3149% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   64  14.85 +/- 1.94   0.050% *  0.0669% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  20.02 +/- 2.51   0.009% *  0.3314% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  20.24 +/- 1.52   0.007% *  0.3314% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  19.89 +/- 2.19   0.008% *  0.1081% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.71, residual support = 38.8:
        T HB3   PHE   72 - QB    ALA   64   3.00 +/- 0.68  97.000% * 99.3598% (0.76 10.00   2.71  38.83) =  99.997%  kept
          HB2   ASP-  44 - QB    ALA   64   6.42 +/- 0.75   1.608% *  0.1128% (0.87  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QB    ALA   64   7.31 +/- 0.91   0.997% *  0.1230% (0.95  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QB    ALA   64   9.90 +/- 1.14   0.136% *  0.1086% (0.84  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QB    ALA   64   9.24 +/- 0.86   0.236% *  0.0443% (0.34  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    ALA   64  16.62 +/- 1.39   0.006% *  0.1166% (0.90  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  18.15 +/- 1.04   0.004% *  0.0893% (0.69  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  16.49 +/- 1.26   0.006% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  16.89 +/- 1.06   0.006% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.55, residual support = 7.42:
        T HA    ALA   61 - QB    ALA   64   2.67 +/- 0.40  99.284% * 99.8142% (1.00 10.00   2.55   7.42) =  99.999%  kept
          HD2   PRO   68 - QB    ALA   64   7.15 +/- 0.73   0.618% *  0.0923% (0.92  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA   64   9.41 +/- 0.64   0.060% *  0.0487% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  10.90 +/- 0.51   0.033% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  14.72 +/- 1.00   0.005% *  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   3.62 +/- 0.82  97.759% * 92.8638% (0.90   1.84   8.67) =  99.988%  kept
          HA    VAL   70 - QB    ALA   64   7.73 +/- 0.73   1.867% *  0.4639% (0.41   0.02   0.02) =   0.010%
          HA    GLN  116 - QB    ALA   64  11.38 +/- 0.92   0.205% *  0.4639% (0.41   0.02   0.02) =   0.001%
          HA    SER   48 - QB    ALA   64  14.68 +/- 0.90   0.038% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   64  14.50 +/- 0.54   0.040% *  0.8194% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  15.89 +/- 0.77   0.022% *  0.9788% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  15.82 +/- 0.64   0.025% *  0.8194% (0.73   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA   64  15.75 +/- 1.04   0.031% *  0.5937% (0.53   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  20.27 +/- 1.30   0.006% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  20.80 +/- 1.26   0.006% *  0.8624% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 3 structures by 0.33 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.486, support = 1.22, residual support = 2.44:
        T HA    GLN   17 - QB    ALA   64   3.90 +/- 0.92  95.855% * 94.1716% (0.49 10.00   1.22   2.45) =  99.879%  kept
        T HA    VAL   42 - QB    ALA   64   8.13 +/- 0.88   3.387% *  3.0997% (0.98 10.00   0.02   0.02) =   0.116%
        T HA    PHE   55 - QB    ALA   64  12.78 +/- 1.68   0.179% *  2.1722% (0.69 10.00   0.02   0.02) =   0.004%
          HA    THR   46 - QB    ALA   64  11.54 +/- 0.83   0.353% *  0.1300% (0.41  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   64  14.09 +/- 2.91   0.160% *  0.1187% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   64  15.04 +/- 0.64   0.048% *  0.1539% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  18.60 +/- 0.99   0.017% *  0.1539% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 3 structures by 0.37 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   3.89 +/- 0.78  99.894% * 99.5979% (1.00   2.25   8.67) = 100.000%  kept
          HN    SER   13 - QB    ALA   64  14.25 +/- 1.28   0.063% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  15.31 +/- 0.74   0.042% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 4 structures by 0.36 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.99, residual support = 38.8:
        T QD    PHE   72 - QB    ALA   64   2.66 +/- 0.40  91.321% * 85.9177% (0.87 10.00   4.99  38.83) =  98.478%  kept
          HZ    PHE   72 - QB    ALA   64   4.32 +/- 0.53   8.654% * 14.0142% (0.57  1.00   5.00  38.83) =   1.522%  kept
          QE    PHE   45 - QB    ALA   64  10.82 +/- 0.58   0.025% *  0.0680% (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 = 20.8:
      O   HN    ALA   64 - QB    ALA   64   2.10 +/- 0.08 100.000% *100.0000% (0.57  10.0   4.22  20.76) = 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 = 164.9:
      O   HN    LYS+  65 - HA    LYS+  65   2.81 +/- 0.04  99.996% * 99.9887% (0.71  10.0   6.08 164.86) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  15.35 +/- 1.33   0.004% *  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 = 0.832, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65   7.72 +/- 1.16  62.543% * 34.8898% (0.87   0.02   0.02) =  94.318%  kept
          HN    SER  117 - HA    LYS+ 121   8.51 +/- 0.55  36.747% *  3.1809% (0.08   0.02   0.02) =   5.052%  kept
          HN    SER  117 - HA    LYS+  65  17.61 +/- 0.76   0.455% * 28.1870% (0.71   0.02   0.02) =   0.554%  kept
          HN    SER   82 - HA    LYS+  65  27.52 +/- 1.06   0.033% * 26.7825% (0.67   0.02   0.02) =   0.038%
          HN    GLY   16 - HA    LYS+ 121  20.14 +/- 1.44   0.205% *  3.9373% (0.10   0.02   0.02) =   0.035%
          HN    SER   82 - HA    LYS+ 121  31.01 +/- 2.19   0.018% *  3.0224% (0.08   0.02   0.02) =   0.002%
    Distance limit 3.38 A violated in 20 structures by 3.65 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 = 26.8:
          HN    LYS+  65 - QB    ALA   64   2.64 +/- 0.20 100.000% *100.0000% (0.31   4.63  26.80) = 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 = 4.05, residual support = 38.8:
          QE    PHE   72 - HA    ALA   64   2.60 +/- 0.39  99.999% * 99.3430% (0.65   4.05  38.83) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  18.63 +/- 0.57   0.001% *  0.6570% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.72, residual support = 3.22:
          HA    ASP-  62 - QB    LYS+  65   2.59 +/- 0.55  99.994% * 97.7429% (0.80   1.72   3.22) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.88 +/- 0.71   0.005% *  0.3160% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  20.25 +/- 1.17   0.001% *  0.8037% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  26.80 +/- 1.00   0.000% *  0.9183% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  23.56 +/- 0.85   0.000% *  0.2190% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.73, residual support = 164.9:
      O   HN    LYS+  65 - QB    LYS+  65   2.27 +/- 0.11 100.000% *100.0000% (0.76  10.0   6.73 164.86) = 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 = 5.93, residual support = 25.7:
          HN    LYS+  66 - QB    LYS+  65   3.08 +/- 0.14  99.356% * 98.7063% (0.53   5.94  25.68) =  99.997%  kept
          QD    PHE   60 - QB    LYS+  65   7.55 +/- 0.58   0.514% *  0.6101% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QB    LYS+  65   9.40 +/- 0.39   0.129% *  0.0856% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  23.79 +/- 0.96   0.000% *  0.5980% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.44, residual support = 164.9:
          HN    LYS+  65 - HG2   LYS+  65   2.71 +/- 0.42 100.000% *100.0000% (0.31   5.44 164.86) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 164.8:
      O T HA    LYS+  65 - HG3   LYS+  65   3.20 +/- 0.51  96.014% * 93.4743% (0.87  10.0 10.00   5.27 164.86) =  99.977%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.97 +/- 0.82   3.181% *  0.6392% (0.59   1.0 10.00   0.02  11.45) =   0.023%
          HA2   GLY   16 - HG3   LYS+  65   8.67 +/- 1.31   0.402% *  0.0863% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.00 +/- 2.26   0.028% *  0.6024% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  11.30 +/- 1.21   0.108% *  0.0612% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  18.01 +/- 1.45   0.006% *  0.8072% (0.75   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  33  14.59 +/- 1.44   0.020% *  0.0745% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  16.15 +/- 2.23   0.011% *  0.1187% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  18.63 +/- 1.29   0.004% *  0.3107% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106  10.00 +/- 0.79   0.139% *  0.0079% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.93 +/- 1.47   0.002% *  0.3923% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  20.19 +/- 1.33   0.002% *  0.3923% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  15.10 +/- 1.13   0.013% *  0.0483% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  18.10 +/- 1.36   0.004% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  23.95 +/- 1.03   0.001% *  0.7402% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  24.67 +/- 1.47   0.001% *  0.7607% (0.71   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  14.17 +/- 1.01   0.021% *  0.0203% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.24 +/- 1.64   0.003% *  0.0935% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  19.20 +/- 2.01   0.004% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  23.16 +/- 1.92   0.001% *  0.1259% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  18.92 +/- 2.84   0.004% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  18.47 +/- 2.93   0.004% *  0.0293% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  18.76 +/- 2.15   0.004% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  20.13 +/- 2.15   0.003% *  0.0393% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  23.11 +/- 3.93   0.001% *  0.0702% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  22.81 +/- 3.17   0.001% *  0.0745% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  18.97 +/- 1.24   0.004% *  0.0189% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.53 +/- 1.46   0.004% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  24.72 +/- 3.93   0.001% *  0.0567% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  24.90 +/- 2.02   0.001% *  0.0702% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  24.30 +/- 2.44   0.001% *  0.0417% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  26.73 +/- 1.14   0.000% *  0.0863% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  20.20 +/- 1.15   0.002% *  0.0163% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  22.87 +/- 1.49   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  26.56 +/- 2.96   0.000% *  0.0602% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.67 +/- 1.38   0.000% *  0.0807% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.65 +/- 1.10   0.001% *  0.0186% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  23.22 +/- 1.03   0.001% *  0.0232% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  25.38 +/- 1.03   0.000% *  0.0383% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  28.71 +/- 1.30   0.000% *  0.0697% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.49 +/- 1.82   0.000% *  0.0761% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  21.24 +/- 1.02   0.001% *  0.0113% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  27.94 +/- 1.67   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.48 +/- 1.63   0.000% *  0.0361% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.7, residual support = 20.3:
          HN    ASP- 105 - HG3   LYS+ 106   4.23 +/- 0.25  98.542% * 91.1948% (0.34   2.70  20.34) =  99.980%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.52 +/- 1.35   1.316% *  1.3115% (0.65   0.02   0.02) =   0.019%
          HN    ASP- 105 - HG3   LYS+  33  17.85 +/- 0.80   0.019% *  1.3916% (0.69   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  65  19.22 +/- 1.25   0.013% *  1.6115% (0.80   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 106  17.18 +/- 3.38   0.039% *  0.4782% (0.24   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  16.21 +/- 1.57   0.044% *  0.3105% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  22.91 +/- 4.32   0.007% *  0.9273% (0.46   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  24.87 +/- 3.37   0.003% *  0.9840% (0.49   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  19.04 +/- 0.75   0.013% *  0.1303% (0.06   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  28.02 +/- 1.59   0.001% *  1.1394% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  27.91 +/- 1.46   0.001% *  0.2682% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  28.80 +/- 1.48   0.001% *  0.2527% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.99, residual support = 114.0:
      O   HN    LYS+  66 - HA    LYS+  66   2.89 +/- 0.03  99.914% * 99.6126% (0.53  10.0   4.99 114.00) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.38 +/- 0.49   0.049% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66  10.92 +/- 0.84   0.038% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  28.99 +/- 0.86   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 = 4.97, residual support = 114.0:
      O   HN    LYS+  66 - QB    LYS+  66   2.22 +/- 0.11  99.890% * 99.6126% (0.53  10.0   4.97 114.00) = 100.000%  kept
          QD    PHE   60 - QB    LYS+  66   8.09 +/- 0.52   0.046% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - QB    LYS+  66   7.84 +/- 0.87   0.064% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  24.82 +/- 0.94   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 = 0.526, support = 4.52, residual support = 114.0:
          HN    LYS+  66 - QG    LYS+  66   3.09 +/- 0.41  91.859% * 98.1495% (0.53   4.53 114.00) =  99.995%  kept
          HN    LYS+  66 - HG    LEU   67   5.47 +/- 0.99   7.146% *  0.0334% (0.04   0.02  10.11) =   0.003%
          QD    PHE   60 - QG    LYS+  66   8.89 +/- 0.76   0.172% *  0.7957% (0.97   0.02   0.02) =   0.002%
          QE    PHE   59 - QG    LYS+  66   8.31 +/- 1.14   0.316% *  0.1116% (0.14   0.02   0.02) =   0.000%
          QD    PHE   60 - HG    LEU   67   9.36 +/- 1.38   0.354% *  0.0613% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67  10.27 +/- 2.06   0.152% *  0.0086% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  25.68 +/- 1.43   0.000% *  0.7800% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  26.28 +/- 1.45   0.000% *  0.0600% (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 = 4.71, residual support = 114.0:
          HN    LYS+  66 - QD    LYS+  66   3.70 +/- 0.75  95.649% * 98.1273% (0.53   4.71 114.00) =  99.996%  kept
          QD    PHE   60 - QD    LYS+  66   9.49 +/- 1.06   0.378% *  0.7638% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QD    LYS+  66   8.92 +/- 0.99   0.700% *  0.1071% (0.14   0.02   0.02) =   0.001%
          QE    PHE   59 - HD2   LYS+ 121   7.82 +/- 1.55   3.126% *  0.0133% (0.02   0.02   0.02) =   0.000%
          QD    PHE   60 - HD2   LYS+ 121  13.28 +/- 1.52   0.072% *  0.0950% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - HD2   LYS+ 121  14.01 +/- 1.82   0.074% *  0.0518% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  26.31 +/- 1.08   0.001% *  0.7486% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  28.57 +/- 2.19   0.001% *  0.0931% (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 = 0.475, support = 3.17, residual support = 59.0:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  91.442% * 46.3097% (0.47  10.0 10.00   2.97  58.98) =  90.610%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.63 +/- 0.15   8.442% * 51.9824% (0.53  10.0  1.00   5.13  58.98) =   9.390%  kept
        T HG    LEU   40 - HB2   LEU   67   8.63 +/- 2.23   0.020% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB2   LEU   67   6.29 +/- 0.63   0.081% *  0.0598% (0.61   1.0  1.00   0.02  10.11) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.55 +/- 0.45   0.007% *  0.0348% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.72 +/- 2.17   0.000% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  11.00 +/- 1.15   0.002% *  0.0691% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.76 +/- 1.78   0.000% *  0.1990% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  10.50 +/- 1.69   0.004% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  12.01 +/- 1.73   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  19.41 +/- 2.43   0.000% *  0.0714% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  17.11 +/- 2.26   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  21.84 +/- 2.77   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 = 59.0:
      O T QD1   LEU   67 - HB2   LEU   67   2.22 +/- 0.23  99.712% * 98.6993% (0.70  10.0 10.00   3.31  58.98) =  99.999%  kept
        T QD2   LEU   40 - HB2   LEU   67   8.30 +/- 1.88   0.100% *  1.0025% (0.71   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LEU   67   7.60 +/- 0.88   0.180% *  0.0316% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  14.18 +/- 2.06   0.003% *  0.0917% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  13.59 +/- 1.04   0.003% *  0.0819% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  15.90 +/- 0.99   0.001% *  0.0703% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  14.88 +/- 1.75   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 0.01 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 59.0:
          HA    LEU   67 - QD2   LEU   67   2.50 +/- 0.61  99.997% * 98.8214% (0.53   2.76  58.98) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  17.43 +/- 1.45   0.003% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 3.15, residual support = 59.0:
      O   HG    LEU   67 - QD1   LEU   67   2.11 +/- 0.02  97.488% * 96.8242% (0.73  10.0  1.00   3.15  58.98) =  99.983%  kept
        T HG    LEU   40 - QD1   LEU   67   7.00 +/- 2.38   1.811% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.016%
          HB3   LEU   40 - QD1   LEU   67   6.80 +/- 2.39   0.613% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  115 - QD1   LEU   67  12.26 +/- 2.00   0.005% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   9.14 +/- 1.43   0.023% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  10.89 +/- 1.97   0.013% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   67   9.82 +/- 2.42   0.035% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67  12.18 +/- 2.45   0.006% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  12.06 +/- 1.68   0.004% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  15.62 +/- 2.71   0.001% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.31, residual support = 59.0:
      O T HB2   LEU   67 - QD1   LEU   67   2.22 +/- 0.23  97.709% * 98.3333% (0.31  10.0 10.00   3.31  58.98) =  99.997%  kept
          QB    GLU-  15 - QD1   LEU   67   7.54 +/- 2.82   1.665% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - QD1   LEU   67   6.83 +/- 0.77   0.400% *  0.2941% (0.92   1.0  1.00   0.02  17.95) =   0.001%
          HB    ILE   19 - QD1   LEU   67   9.28 +/- 2.14   0.054% *  0.2764% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   LEU   67   8.78 +/- 2.53   0.160% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  12.98 +/- 2.40   0.005% *  0.2188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  13.64 +/- 2.58   0.004% *  0.2551% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  13.35 +/- 1.17   0.002% *  0.2313% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  17.20 +/- 2.97   0.001% *  0.0709% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  19.22 +/- 1.82   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 = 59.0:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  95.853% * 99.2738% (0.87  10.0  1.00   2.26  58.98) =  99.994%  kept
        T QD1   LEU   40 - HG    LEU   67   6.74 +/- 1.92   0.747% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU   67 - QG    LYS+  66   5.68 +/- 1.29   0.741% *  0.0076% (0.07   1.0  1.00   0.02  10.11) =   0.000%
          QG2   ILE  119 - HG    LEU   67   8.42 +/- 2.47   0.288% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   4.78 +/- 1.19   2.344% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.02 +/- 1.13   0.027% *  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 = 0.427, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - QD1   LEU   67   8.60 +/- 2.60  88.967% * 12.0360% (0.22   0.02   0.02) =  68.253%  kept
          QG2   ILE   89 - QD1   LEU   67  15.09 +/- 2.04   6.228% * 52.9912% (0.98   0.02   0.02) =  21.037%  kept
          QG1   VAL   83 - QD1   LEU   67  15.71 +/- 2.46   4.805% * 34.9728% (0.65   0.02   0.02) =  10.710%  kept
    Distance limit 3.08 A violated in 20 structures by 5.31 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.854, support = 3.49, residual support = 35.2:
        T HZ    PHE   72 - QD1   LEU   67   3.44 +/- 0.69  56.132% * 75.7718% (0.97 10.00   3.98  35.15) =  80.031%  kept
        T QD    PHE   72 - QD1   LEU   67   3.94 +/- 1.12  43.838% * 24.2087% (0.41 10.00   1.50  35.15) =  19.969%  kept
          QE    PHE   45 - QD1   LEU   67  12.29 +/- 1.23   0.030% *  0.0196% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.15, residual support = 35.2:
          QE    PHE   72 - QD1   LEU   67   2.82 +/- 0.57  99.353% * 99.2791% (0.80   4.15  35.15) =  99.999%  kept
          QD    PHE   95 - QD1   LEU   67   8.63 +/- 2.26   0.642% *  0.1846% (0.31   0.02   0.02) =   0.001%
          HN    ALA   47 - QD1   LEU   67  16.44 +/- 1.21   0.004% *  0.5363% (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 = 0.561, support = 0.0198, residual support = 0.0198:
          HA    ALA  124 - HG    LEU   67  12.09 +/- 2.60  20.685% *  6.6623% (0.84  1.00   0.02   0.02) =  44.883%  kept
        T HA    LEU  115 - HG    LEU   67  14.66 +/- 3.01   5.706% * 15.7849% (0.20 10.00   0.02   0.02) =  29.335%  kept
        T HA    ARG+  54 - HG    LEU   67  19.86 +/- 1.63   0.686% * 57.9196% (0.73 10.00   0.02   0.02) =  12.947%  kept
          HA    ALA  124 - QG    LYS+  66   9.81 +/- 1.45  46.284% *  0.5129% (0.06  1.00   0.02   0.02) =   7.731%  kept
          HA    GLU-  36 - HG    LEU   67  18.79 +/- 1.84   1.182% *  7.5452% (0.95  1.00   0.02   0.02) =   2.905%  kept
          HA    LEU  115 - QG    LYS+  66  11.43 +/- 1.71  20.882% *  0.1215% (0.02  1.00   0.02   0.02) =   0.826%  kept
          HA    ASN   28 - HG    LEU   67  19.08 +/- 1.40   0.953% *  1.7758% (0.22  1.00   0.02   0.02) =   0.551%  kept
          HA    ARG+  54 - QG    LYS+  66  16.05 +/- 1.38   2.553% *  0.4459% (0.06  1.00   0.02   0.02) =   0.371%
          HA    LYS+  81 - HG    LEU   67  26.30 +/- 1.51   0.129% *  7.9057% (0.99  1.00   0.02   0.02) =   0.331%
          HA    GLU-  36 - QG    LYS+  66  22.10 +/- 0.98   0.363% *  0.5808% (0.07  1.00   0.02   0.02) =   0.069%
          HA    LYS+  81 - QG    LYS+  66  25.38 +/- 1.46   0.160% *  0.6086% (0.08  1.00   0.02   0.02) =   0.032%
          HA    ASN   28 - QG    LYS+  66  21.49 +/- 0.79   0.416% *  0.1367% (0.02  1.00   0.02   0.02) =   0.019%
    Distance limit 3.87 A violated in 20 structures by 4.48 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.74, residual support = 59.0:
      O   HA    LEU   67 - HG    LEU   67   3.30 +/- 0.54  95.198% * 99.3233% (0.15  10.0   3.74  58.98) = 100.000%  kept
          HA    LEU   67 - QG    LYS+  66   5.81 +/- 0.58   4.796% *  0.0076% (0.01   1.0   0.02  10.11) =   0.000%
          HA    ASP-  76 - HG    LEU   67  19.86 +/- 1.35   0.003% *  0.6212% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  19.27 +/- 1.15   0.003% *  0.0478% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.305, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG    LEU   67  11.13 +/- 2.48  13.940% * 11.5851% (0.38   0.02   0.02) =  40.667%  kept
          QD    PHE   60 - HG    LEU   67   9.36 +/- 1.38  29.196% *  5.4059% (0.18   0.02   0.02) =  39.744%  kept
          HE3   TRP   27 - HG    LEU   67  17.28 +/- 1.87   0.881% * 26.7757% (0.87   0.02   0.02) =   5.943%  kept
          QE    PHE   95 - QG    LYS+  66  10.02 +/- 1.37  18.261% *  0.8918% (0.03   0.02   0.02) =   4.101%  kept
          QD    PHE   60 - QG    LYS+  66   8.89 +/- 0.76  32.828% *  0.4162% (0.01   0.02   0.02) =   3.440%  kept
          QD    PHE   55 - HG    LEU   67  17.94 +/- 1.70   0.524% * 24.7171% (0.80   0.02   0.02) =   3.262%  kept
          QD    PHE   55 - QG    LYS+  66  13.50 +/- 1.60   3.422% *  1.9027% (0.06   0.02   0.02) =   1.640%  kept
          HN    THR   23 - HG    LEU   67  20.27 +/- 1.82   0.297% * 10.5293% (0.34   0.02   0.02) =   0.786%  kept
          HE3   TRP   27 - QG    LYS+  66  19.12 +/- 1.12   0.369% *  2.0612% (0.07   0.02   0.02) =   0.191%
          HN    LYS+  81 - HG    LEU   67  26.28 +/- 1.45   0.050% * 13.8391% (0.45   0.02   0.02) =   0.174%
          HN    THR   23 - QG    LYS+  66  21.52 +/- 1.12   0.174% *  0.8106% (0.03   0.02   0.02) =   0.035%
          HN    LYS+  81 - QG    LYS+  66  25.68 +/- 1.43   0.058% *  1.0653% (0.03   0.02   0.02) =   0.016%
    Distance limit 3.66 A violated in 20 structures by 3.57 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 2.97, residual support = 59.0:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.911% * 95.9469% (0.29  10.0 10.00   2.97  58.98) = 100.000%  kept
          HG2   PRO   68 - HB3   LEU   67   6.34 +/- 0.51   0.052% *  0.2870% (0.87   1.0  1.00   0.02  17.95) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  11.55 +/- 1.19   0.002% *  2.6965% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67   8.34 +/- 1.81   0.030% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67  10.53 +/- 1.79   0.004% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  16.73 +/- 2.37   0.000% *  0.2135% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  17.48 +/- 2.01   0.000% *  0.2489% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.78 +/- 0.82   0.000% *  0.2257% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  23.69 +/- 1.27   0.000% *  0.1394% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  21.84 +/- 2.57   0.000% *  0.0692% (0.21   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  19.90 +/- 1.19 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.57 A violated in 20 structures by 16.34 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.65, residual support = 59.0:
      O   HN    LEU   67 - HB3   LEU   67   3.49 +/- 0.36  99.663% * 99.4441% (0.54  10.0   4.65  58.98) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67  11.41 +/- 2.33   0.322% *  0.0348% (0.19   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  18.63 +/- 1.90   0.006% *  0.1524% (0.82   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  18.46 +/- 1.31   0.005% *  0.1722% (0.93   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  20.03 +/- 1.17   0.003% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  27.01 +/- 1.38   0.001% *  0.1575% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.04, residual support = 59.0:
      O   HA    LEU   67 - HB2   LEU   67   2.79 +/- 0.25  99.999% * 99.8354% (0.38  10.0   5.04  58.98) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  18.76 +/- 0.79   0.001% *  0.1646% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 3.1, residual support = 35.2:
          QE    PHE   72 - HB2   LEU   67   2.60 +/- 0.55  99.954% * 99.0379% (0.58   3.10  35.15) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67  10.51 +/- 1.83   0.045% *  0.2463% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  19.64 +/- 0.84   0.001% *  0.7158% (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 = 4.85, residual support = 59.0:
      O   HN    LEU   67 - HB2   LEU   67   2.59 +/- 0.29  99.912% * 99.6033% (0.70  10.0   4.85  58.98) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67  10.41 +/- 2.18   0.081% *  0.0626% (0.44   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  17.56 +/- 1.17   0.001% *  0.0862% (0.61   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  19.30 +/- 0.86   0.001% *  0.0668% (0.47   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  18.98 +/- 1.71   0.001% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  16.41 +/- 1.13   0.002% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.37 +/- 1.48   0.002% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  25.73 +/- 1.22   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 35.2:
        T HZ    PHE   72 - HB2   LEU   67   2.87 +/- 0.82  99.994% * 99.9822% (0.63 10.00   2.96  35.15) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  16.33 +/- 1.41   0.006% *  0.0178% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.559, support = 4.0, residual support = 64.6:
      O T HA    VAL   24 - HB    VAL   24   2.63 +/- 0.23  90.786% * 82.3820% (0.57  10.0 10.00   3.97  65.16) =  98.022%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.90 +/- 0.09   9.210% * 16.3856% (0.11  10.0  1.00   5.46  35.75) =   1.978%  kept
          HA    LYS+  38 - HB2   PRO   68  14.88 +/- 1.29   0.003% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  24.12 +/- 1.60   0.000% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.71 +/- 0.96   0.000% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  24.95 +/- 1.98   0.000% *  0.0133% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.23, residual support = 65.2:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.02  99.987% * 98.0584% (0.63  10.0 10.00   3.23  65.16) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.87 +/- 0.67   0.003% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.61 +/- 2.41   0.002% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.04 +/- 0.33   0.005% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  22.25 +/- 1.71   0.000% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.02 +/- 1.51   0.001% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  18.79 +/- 1.08   0.000% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.55 +/- 1.78   0.000% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  16.14 +/- 1.45   0.001% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.83 +/- 3.27   0.000% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  24.90 +/- 2.70   0.000% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  28.40 +/- 2.69   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 = 0.34, support = 5.81, residual support = 32.0:
      O   HN    ASN   69 - HB2   PRO   68   3.46 +/- 0.86  54.099% * 67.7650% (0.34  10.0   5.85  31.85) =  82.107%  kept
          HN    GLU-  25 - HB    VAL   24   3.63 +/- 0.45  42.516% * 17.6856% (0.31   1.0   5.88  33.88) =  16.841%  kept
          HN    ASN   28 - HB    VAL   24   5.52 +/- 0.47   3.327% * 14.1156% (0.66   1.0   2.18  13.04) =   1.052%  kept
          HN    ASP-  44 - HB    VAL   24  12.03 +/- 1.62   0.053% *  0.0654% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  17.06 +/- 0.56   0.004% *  0.0802% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.64 +/- 1.25   0.001% *  0.1591% (0.81   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  24.42 +/- 1.49   0.001% *  0.0552% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  26.23 +/- 1.40   0.000% *  0.0739% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 65.2:
      O   HN    VAL   24 - HB    VAL   24   2.35 +/- 0.36 100.000% * 99.8774% (0.33  10.0   4.68  65.16) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  26.16 +/- 1.49   0.000% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.03, residual support = 35.8:
      O   HD3   PRO   68 - HG2   PRO   68   2.63 +/- 0.30  99.996% * 99.5120% (0.57  10.0   3.03  35.75) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  15.55 +/- 1.97   0.003% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  20.61 +/- 1.90   0.001% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  23.75 +/- 1.53   0.000% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  24.41 +/- 1.64   0.000% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  25.92 +/- 2.22   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 = 2.9, residual support = 35.8:
      O   HD2   PRO   68 - HG2   PRO   68   2.55 +/- 0.28  99.979% * 99.8205% (0.63  10.0   2.90  35.75) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  12.17 +/- 1.33   0.017% *  0.0826% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  15.28 +/- 2.18   0.003% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  18.00 +/- 1.82   0.002% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  24.13 +/- 1.46   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 = 0.749, support = 4.75, residual support = 55.7:
      O   HD3   PRO   68 - HG3   PRO   68   2.57 +/- 0.30  62.569% * 72.5357% (0.84  10.0  1.00   4.76  35.75) =  84.855%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.85 +/- 0.12  34.723% * 23.1216% (0.27  10.0 10.00   4.77 168.93) =  15.011%  kept
          QB    PHE   55 - HG2   ARG+  54   5.96 +/- 1.07   2.297% *  3.1336% (0.20   1.0  1.00   3.54   3.62) =   0.135%
          HB3   CYS   53 - HG2   ARG+  54   6.25 +/- 0.62   0.358% *  0.0227% (0.26   1.0  1.00   0.02  31.60) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54   9.08 +/- 0.89   0.040% *  0.0201% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.23 +/- 1.01   0.011% *  0.0113% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.64 +/- 1.93   0.002% *  0.0423% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  26.10 +/- 2.12   0.000% *  0.8665% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  20.73 +/- 1.82   0.000% *  0.0664% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.96 +/- 1.61   0.000% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  24.58 +/- 1.75   0.000% *  0.0753% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.98 +/- 1.58   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 = 4.62, residual support = 35.8:
      O   HD2   PRO   68 - HG3   PRO   68   2.61 +/- 0.29  99.802% * 99.5569% (0.92  10.0  1.00   4.62  35.75) = 100.000%  kept
          HA    ALA   61 - HG3   PRO   68  12.31 +/- 0.94   0.011% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   8.42 +/- 1.61   0.174% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  15.40 +/- 1.25   0.003% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  13.43 +/- 1.38   0.008% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  18.17 +/- 1.56   0.001% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  24.36 +/- 1.59   0.000% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  21.60 +/- 1.92   0.000% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  23.59 +/- 1.87   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  31.27 +/- 1.63   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 = 5.1, residual support = 35.8:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  99.187% * 98.5022% (0.98  10.0 10.00   5.10  35.75) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   4.42 +/- 0.86   0.644% *  0.0070% (0.07   1.0  1.00   0.02  40.17) =   0.000%
          QB    PHE   55 - HD3   PRO   58   5.47 +/- 0.71   0.148% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  10.41 +/- 0.84   0.003% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.12 +/- 1.80   0.011% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.99 +/- 1.17   0.007% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  14.39 +/- 1.45   0.000% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  23.02 +/- 1.33   0.000% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.27 +/- 1.17   0.000% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  19.61 +/- 1.54   0.000% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  22.44 +/- 1.55   0.000% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  24.86 +/- 2.28   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 = 5.1, 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   5.10  35.75) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.37 +/- 0.90   0.003% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  10.41 +/- 0.84   0.003% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  16.27 +/- 1.17   0.000% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  23.02 +/- 1.33   0.000% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  15.26 +/- 0.74   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.79 +/- 1.19   0.000% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  23.27 +/- 1.41   0.000% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  18.93 +/- 0.97   0.000% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  27.94 +/- 0.64   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 = 4.98, residual support = 17.9:
      O   HA    LEU   67 - HD3   PRO   68   2.36 +/- 0.33  99.988% * 99.7870% (0.53  10.0   4.98  17.95) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93  11.29 +/- 1.34   0.012% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  22.07 +/- 1.14   0.000% *  0.1645% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  21.79 +/- 0.90   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 = 4.51, residual support = 17.9:
      O   HA    LEU   67 - HD2   PRO   68   2.30 +/- 0.12  99.997% * 99.8155% (0.53  10.0   4.51  17.95) = 100.000%  kept
          HA    ASP-  76 - HD2   PRO   68  22.01 +/- 1.40   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   58  14.73 +/- 1.31   0.002% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.81 +/- 0.58   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 = 59.6:
      O   HD21  ASN   69 - HB2   ASN   69   2.87 +/- 0.55  99.924% * 99.5864% (0.65  10.0   3.63  59.64) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69  10.84 +/- 1.21   0.071% *  0.1286% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  17.18 +/- 0.67   0.004% *  0.0475% (0.31   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  26.63 +/- 3.82   0.000% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  28.72 +/- 2.73   0.000% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  29.86 +/- 1.35   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 = 5.4, residual support = 59.6:
      O   HN    ASN   69 - HB2   ASN   69   3.66 +/- 0.34  99.933% * 99.9414% (0.97  10.0   5.40  59.64) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  13.24 +/- 1.25   0.063% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  20.21 +/- 1.14   0.004% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.6, residual support = 59.6:
      O   HD21  ASN   69 - HB3   ASN   69   3.10 +/- 0.55  99.877% * 99.7810% (0.99  10.0   3.60  59.64) = 100.000%  kept
          HN    GLN   17 - HB3   ASN   69  10.70 +/- 1.32   0.122% *  0.0987% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   ASN   69  29.44 +/- 2.70   0.000% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  27.43 +/- 3.83   0.000% *  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 = 4.89, residual support = 59.6:
      O   HN    ASN   69 - HB3   ASN   69   3.14 +/- 0.43  99.981% * 99.9414% (0.97  10.0   4.89  59.64) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  14.42 +/- 1.33   0.017% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  21.14 +/- 1.22   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 = 3.07, residual support = 59.6:
          HD21  ASN   69 - HA    ASN   69   3.70 +/- 0.38  98.788% * 89.7861% (0.20   3.07  59.64) =  99.986%  kept
          HN    GLN   17 - HA    ASN   69   8.48 +/- 1.23   1.183% *  1.0078% (0.34   0.02   0.02) =   0.013%
          HN    ALA   61 - HA    ASN   69  15.53 +/- 0.52   0.021% *  2.3658% (0.80   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    ASN   69  19.30 +/- 1.17   0.006% *  1.1088% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  26.32 +/- 3.59   0.001% *  2.9283% (0.99   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  28.86 +/- 1.20   0.001% *  2.1454% (0.73   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  28.08 +/- 2.52   0.001% *  0.6578% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2851 (6.35, 4.68, 53.57 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ3   TRP   27 - HA    ASN   69  17.52 +/- 2.77 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.50 A violated in 20 structures by 14.01 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.349, support = 0.0198, residual support = 0.0198:
        T QB    ALA   88 - HB2   SER   82  10.57 +/- 0.21   3.299% * 37.0886% (0.42 10.00   0.02   0.02) =  34.849%  kept
          QG2   THR   77 - HA    SER   48   6.89 +/- 0.85  42.838% *  1.9923% (0.23  1.00   0.02   0.02) =  24.306%  kept
          HG2   LYS+  99 - HA    VAL   70   8.17 +/- 0.94  17.408% *  3.6274% (0.41  1.00   0.02   0.02) =  17.983%  kept
          QG2   THR   77 - HB2   SER   82   9.54 +/- 1.01   6.997% *  4.2379% (0.48  1.00   0.02   0.02) =   8.444%  kept
          QG2   THR   23 - HB2   SER   82   8.68 +/- 2.70  22.988% *  0.9519% (0.11  1.00   0.02   0.02) =   6.232%  kept
          HG2   LYS+  38 - HA    VAL   70  10.96 +/- 0.87   2.932% *  4.6421% (0.53  1.00   0.02   0.02) =   3.876%  kept
        T QB    ALA   88 - HA    SER   48  14.43 +/- 1.82   0.622% * 17.4364% (0.20 10.00   0.02   0.02) =   3.091%  kept
          QG2   THR   77 - HA    VAL   70  17.34 +/- 0.55   0.181% *  8.7452% (0.99  1.00   0.02   0.02) =   0.451%
          HB2   LEU   31 - HA    VAL   70  12.97 +/- 0.90   1.005% *  1.3614% (0.15  1.00   0.02   0.02) =   0.390%
          QG2   THR   23 - HA    SER   48  13.17 +/- 1.57   1.031% *  0.4475% (0.05  1.00   0.02   0.02) =   0.131%
          QG2   THR   23 - HA    VAL   70  18.33 +/- 0.66   0.126% *  1.9644% (0.22  1.00   0.02   0.02) =   0.071%
          QB    ALA   88 - HA    VAL   70  23.18 +/- 1.88   0.031% *  7.6536% (0.87  1.00   0.02   0.02) =   0.068%
          HB2   LEU   31 - HB2   SER   82  17.21 +/- 4.03   0.333% *  0.6597% (0.07  1.00   0.02   0.02) =   0.063%
          HG2   LYS+ 111 - HA    VAL   70  23.69 +/- 1.82   0.029% *  1.7461% (0.20  1.00   0.02   0.02) =   0.014%
          HG2   LYS+ 111 - HA    SER   48  20.49 +/- 2.18   0.104% *  0.3978% (0.05  1.00   0.02   0.02) =   0.012%
          HG2   LYS+  99 - HB2   SER   82  28.11 +/- 3.25   0.012% *  1.7578% (0.20  1.00   0.02   0.02) =   0.006%
          HG2   LYS+  38 - HB2   SER   82  29.04 +/- 3.50   0.009% *  2.2495% (0.25  1.00   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - HB2   SER   82  27.20 +/- 2.60   0.015% *  0.8462% (0.10  1.00   0.02   0.02) =   0.004%
          HB2   LEU   31 - HA    SER   48  23.26 +/- 1.04   0.029% *  0.3102% (0.04  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HA    SER   48  29.49 +/- 1.02   0.007% *  0.8264% (0.09  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HA    SER   48  32.45 +/- 0.60   0.004% *  1.0576% (0.12  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 20 structures by 2.46 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.33, residual support = 32.7:
      O   HN    LEU   71 - HA    VAL   70   2.27 +/- 0.02  99.991% * 99.7573% (0.87  10.0   5.33  32.68) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  12.31 +/- 3.25   0.007% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  18.61 +/- 0.81   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  21.20 +/- 1.40   0.000% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  18.37 +/- 1.70   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  24.18 +/- 2.42   0.000% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  21.23 +/- 1.62   0.000% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  18.77 +/- 1.20   0.000% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  23.05 +/- 0.69   0.000% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  28.58 +/- 1.65   0.000% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  20.97 +/- 1.92   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  29.09 +/- 1.81   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 = 0.984, support = 3.3, residual support = 39.3:
        T HZ    PHE   72 - HB    VAL   70   3.43 +/- 0.93  69.493% * 95.0244% (1.00 10.00   3.30  39.31) =  98.005%  kept
          QD    PHE   72 - HB    VAL   70   4.26 +/- 0.61  28.149% *  4.7738% (0.31  1.00   3.25  39.31) =   1.994%  kept
        T HZ    PHE   72 - QG    GLN   17   9.47 +/- 1.02   0.225% *  0.1765% (0.19 10.00   0.02   0.02) =   0.001%
          QD    PHE   72 - QG    GLN   17   6.73 +/- 0.86   2.093% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  13.82 +/- 0.65   0.027% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  15.33 +/- 0.90   0.013% *  0.0031% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.8, residual support = 39.3:
          QE    PHE   72 - HB    VAL   70   2.75 +/- 0.66  99.266% * 98.7811% (0.73   3.80  39.31) =  99.999%  kept
          QE    PHE   72 - QG    GLN   17   7.68 +/- 0.97   0.621% *  0.0966% (0.13   0.02   0.02) =   0.001%
          QD    PHE   95 - HB    VAL   70  10.13 +/- 1.01   0.091% *  0.2689% (0.38   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  13.44 +/- 0.86   0.018% *  0.0499% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  20.22 +/- 0.53   0.001% *  0.6776% (0.95   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  17.39 +/- 0.97   0.003% *  0.1259% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.5:
      O   HN    VAL   70 - HB    VAL   70   2.68 +/- 0.36  99.849% * 99.9336% (0.76  10.0   4.31  81.50) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   9.50 +/- 1.34   0.149% *  0.0186% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  22.39 +/- 0.48   0.000% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  18.06 +/- 1.49   0.001% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.83, residual support = 81.5:
          HN    VAL   70 - QG1   VAL   70   2.53 +/- 0.51  99.994% * 98.2803% (0.28   4.83  81.50) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  14.02 +/- 0.75   0.005% *  0.5488% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.80 +/- 0.73   0.001% *  1.1709% (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, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 1.39, residual support = 1.23:
          HN    VAL   42 - QG2   VAL   70   4.08 +/- 0.19  87.080% * 60.1135% (0.52   1.43   1.32) =  92.705%  kept
          HN    LEU   73 - QG2   VAL   70   5.83 +/- 0.18  10.588% * 38.6280% (0.52   0.92   0.02) =   7.243%  kept
          HN    ILE   19 - QG2   VAL   70   7.58 +/- 0.48   2.332% *  1.2585% (0.77   0.02   0.02) =   0.052%
    Distance limit 3.73 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2860 (1.46, 0.19, 63.87 ppm):
    11 chemical-shift based assignments, quality = 0.629, support = 5.2, residual support = 35.9:
        T HG    LEU   40 - QG2   VAL   70   2.87 +/- 0.57  37.916% * 69.5263% (0.80 10.00   5.89  35.85) =  63.852%  kept
        T HB3   LEU   40 - QG2   VAL   70   2.66 +/- 0.90  52.083% * 28.6467% (0.33 10.00   3.99  35.85) =  36.139%  kept
          HB3   LEU   67 - QG2   VAL   70   4.63 +/- 1.78   8.051% *  0.0194% (0.22  1.00   0.02   0.42) =   0.004%
          HG    LEU   67 - QG2   VAL   70   5.30 +/- 1.29   1.508% *  0.0691% (0.79  1.00   0.02   0.42) =   0.003%
        T HG    LEU   73 - QG2   VAL   70   6.74 +/- 1.02   0.226% *  0.4508% (0.52 10.00   0.02   0.02) =   0.002%
        T HB3   LEU  115 - QG2   VAL   70  11.98 +/- 1.46   0.012% *  0.6953% (0.80 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  12.37 +/- 1.63   0.009% *  0.4508% (0.52 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   70   7.89 +/- 0.66   0.113% *  0.0312% (0.36  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70   9.94 +/- 1.15   0.034% *  0.0451% (0.52  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   8.82 +/- 0.56   0.042% *  0.0122% (0.14  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  12.07 +/- 0.75   0.006% *  0.0533% (0.61  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, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.595, support = 2.82, residual support = 39.3:
        T QD    PHE   72 - QG2   VAL   70   3.12 +/- 0.60  59.208% * 53.1587% (0.64 10.00   1.84  39.31) =  62.292%  kept
        T HZ    PHE   72 - QG2   VAL   70   3.41 +/- 0.65  40.713% * 46.7974% (0.52 10.00   4.44  39.31) =  37.708%  kept
          QE    PHE   45 - QG2   VAL   70  10.00 +/- 0.51   0.079% *  0.0439% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2862 (6.99, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.98, residual support = 39.3:
          QE    PHE   72 - QG2   VAL   70   2.59 +/- 0.61  99.985% * 99.6528% (0.80   4.98  39.31) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  13.30 +/- 0.52   0.011% *  0.1366% (0.27   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  15.83 +/- 0.34   0.004% *  0.2107% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2863 (8.16, 0.19, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.757, support = 6.46, residual support = 32.7:
          HN    LEU   71 - QG2   VAL   70   2.28 +/- 0.15  99.967% * 99.3863% (0.76   6.46  32.68) = 100.000%  kept
          HN    THR  118 - QG2   VAL   70  10.97 +/- 0.92   0.009% *  0.0905% (0.22   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   VAL   70   9.76 +/- 0.73   0.018% *  0.0441% (0.11   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  12.97 +/- 1.39   0.004% *  0.1713% (0.42   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  15.23 +/- 1.13   0.001% *  0.3079% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.655, support = 2.61, residual support = 39.3:
        T HZ    PHE   72 - QG1   VAL   70   3.75 +/- 0.75  75.493% * 85.8361% (0.65 10.00   2.61  39.31) =  94.961%  kept
          QD    PHE   72 - QG1   VAL   70   4.75 +/- 0.91  24.417% * 14.0835% (0.80  1.00   2.65  39.31) =   5.039%  kept
          QE    PHE   45 - QG1   VAL   70  12.16 +/- 0.58   0.090% *  0.0805% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 2.05, residual support = 4.34:
          HA    VAL   41 - HB2   LEU   71   2.93 +/- 0.98  99.938% * 98.4422% (0.92   2.05   4.34) = 100.000%  kept
          HA    HIS  122 - HB2   LEU   71  13.28 +/- 1.81   0.028% *  1.0058% (0.97   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   LEU   71  13.65 +/- 0.32   0.032% *  0.3912% (0.38   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LEU   71  21.23 +/- 0.57   0.002% *  0.1608% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 2 structures by 0.20 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.37, residual support = 138.7:
      O   HN    LEU   71 - HB2   LEU   71   2.65 +/- 0.21  99.993% * 99.8011% (0.95  10.0   6.37 138.72) = 100.000%  kept
          HN    PHE   60 - HB2   LEU   71  14.47 +/- 0.97   0.004% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  17.44 +/- 1.22   0.001% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  19.81 +/- 1.69   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  22.08 +/- 1.46   0.000% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.29, residual support = 138.7:
      O   HN    LEU   71 - HB3   LEU   71   2.75 +/- 0.61  99.985% * 99.8011% (0.95  10.0   6.29 138.72) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  15.12 +/- 1.06   0.011% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  20.59 +/- 1.57   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  18.30 +/- 1.12   0.002% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  23.01 +/- 1.36   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 = 138.7:
      O   HB2   LEU   71 - HG    LEU   71   2.54 +/- 0.14  98.266% * 99.3720% (0.97  10.0   4.94 138.72) = 100.000%  kept
          HB    VAL   41 - HG    LEU   71   7.43 +/- 1.29   0.355% *  0.0501% (0.49   1.0   0.02   4.34) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   5.99 +/- 1.20   1.140% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE   19   7.72 +/- 0.97   0.159% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71  10.88 +/- 1.53   0.024% *  0.0501% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.48 +/- 1.04   0.009% *  0.0707% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  13.43 +/- 0.99   0.005% *  0.1009% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  13.99 +/- 1.55   0.005% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  11.91 +/- 1.17   0.012% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  13.62 +/- 1.03   0.005% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  12.44 +/- 1.38   0.011% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  13.14 +/- 1.14   0.006% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  21.24 +/- 1.15   0.000% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  19.07 +/- 2.75   0.001% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  19.26 +/- 1.58   0.001% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  20.62 +/- 1.22   0.000% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  18.35 +/- 1.00   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  25.00 +/- 1.65   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  21.15 +/- 2.87   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  23.59 +/- 1.32   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 = 6.78, residual support = 138.7:
          HN    LEU   71 - QD2   LEU   71   3.75 +/- 0.25  99.813% * 99.7047% (0.87   6.78 138.72) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  11.64 +/- 1.19   0.173% *  0.0845% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  20.54 +/- 1.04   0.004% *  0.1649% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  18.37 +/- 1.17   0.009% *  0.0459% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.41, residual support = 20.1:
          HN    PHE   72 - QD2   LEU   71   3.16 +/- 0.40  99.966% * 99.5765% (0.73   5.41  20.12) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  12.37 +/- 0.76   0.034% *  0.4235% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 5.16, residual support = 39.6:
      O   HN    LEU   73 - HA    PHE   72   2.23 +/- 0.04  94.893% * 99.7786% (0.61  10.0   5.16  39.64) =  99.995%  kept
          HN    VAL   42 - HA    PHE   72   3.91 +/- 0.35   4.096% *  0.0998% (0.61   1.0   0.02   5.46) =   0.004%
          HN    ILE   19 - HA    PHE   72   4.81 +/- 0.28   1.009% *  0.0218% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    PHE   72  13.82 +/- 0.44   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 = 90.4:
      O   HN    PHE   72 - HA    PHE   72   2.93 +/- 0.00  99.981% * 99.9786% (0.71  10.0   5.14  90.36) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  12.27 +/- 0.32   0.019% *  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 = 2.48, residual support = 39.4:
          HG    LEU   73 - HA    PHE   72   4.14 +/- 1.01  74.751% * 69.3255% (0.37   2.51  39.64) =  98.653%  kept
          HB3   LEU   67 - HA    PHE   72   8.09 +/- 1.19   2.017% * 23.1411% (0.66   0.47  35.15) =   0.888%  kept
          HG12  ILE   19 - HA    PHE   72   6.22 +/- 1.42  20.346% *  1.0941% (0.74   0.02   0.02) =   0.424%
          QB    ALA   61 - HA    PHE   72   8.81 +/- 0.98   0.888% *  1.0941% (0.74   0.02   0.02) =   0.019%
          HB3   LYS+  74 - HA    PHE   72   8.04 +/- 0.44   1.164% *  0.4661% (0.31   0.02   0.02) =   0.010%
          QB    LEU   98 - HA    PHE   72   9.06 +/- 0.60   0.570% *  0.2244% (0.15   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    PHE   72  11.18 +/- 0.64   0.151% *  0.7787% (0.52   0.02   0.22) =   0.002%
          HG    LEU   80 - HA    PHE   72  15.10 +/- 2.64   0.029% *  1.1312% (0.76   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    PHE   72  15.25 +/- 1.47   0.025% *  1.1236% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    PHE   72  15.17 +/- 2.23   0.026% *  0.6876% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   72  15.57 +/- 1.54   0.022% *  0.5083% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    PHE   72  17.06 +/- 0.83   0.012% *  0.4255% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 4 structures by 0.68 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.819, support = 5.6, residual support = 39.6:
          QD2   LEU   73 - HB2   PHE   72   4.16 +/- 0.16  96.385% * 98.9718% (0.82   5.60  39.64) =  99.995%  kept
          QG1   VAL   43 - HB2   PHE   72   7.98 +/- 0.57   2.283% *  0.0714% (0.17   0.02   0.02) =   0.002%
          QD1   ILE   56 - HB2   PHE   72  11.77 +/- 1.59   0.333% *  0.3483% (0.81   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB2   PHE   72   9.39 +/- 0.38   0.766% *  0.1231% (0.28   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   PHE   72  11.73 +/- 0.73   0.208% *  0.3236% (0.75   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB2   PHE   72  17.15 +/- 1.60   0.025% *  0.1618% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.56 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.56, residual support = 38.8:
        T QB    ALA   64 - HB2   PHE   72   3.43 +/- 0.87  99.975% * 99.9825% (0.84 10.00   2.56  38.83) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  14.94 +/- 0.98   0.025% *  0.0175% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 3 structures by 0.32 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.642, support = 5.06, residual support = 32.9:
          QD2   LEU   73 - HB3   PHE   72   4.70 +/- 0.41  17.100% * 93.7216% (0.72   6.17  39.64) =  79.397%  kept
          QG2   VAL   18 - HB3   PHE   72   3.28 +/- 0.88  81.221% *  5.1161% (0.33   0.75   6.77) =  20.585%  kept
          QG1   VAL   43 - HB3   PHE   72   7.83 +/- 0.52   0.860% *  0.2205% (0.53   0.02   0.02) =   0.009%
          QG1   VAL   41 - HB3   PHE   72   9.59 +/- 0.39   0.227% *  0.2911% (0.69   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB3   PHE   72  11.19 +/- 1.44   0.175% *  0.2058% (0.49   0.02   0.02) =   0.002%
          QG2   THR   46 - HB3   PHE   72   9.03 +/- 0.68   0.351% *  0.1011% (0.24   0.02   0.02) =   0.002%
          HG    LEU   31 - HB3   PHE   72  11.91 +/- 0.88   0.066% *  0.3439% (0.82   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.71, residual support = 38.8:
        T QB    ALA   64 - HB3   PHE   72   3.00 +/- 0.68  99.941% * 99.9693% (0.63 10.00   2.71  38.83) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  12.28 +/- 1.61   0.059% *  0.0307% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 1.5, residual support = 6.77:
        T HA    VAL   18 - HB2   PHE   72   2.77 +/- 0.68  99.080% * 98.8643% (0.47 10.00   1.50   6.77) =  99.999%  kept
          HA    VAL   70 - HB2   PHE   72   7.73 +/- 0.46   0.384% *  0.2282% (0.82  1.00   0.02  39.31) =   0.001%
          HA1   GLY   16 - HB2   PHE   72   7.45 +/- 1.03   0.483% *  0.0647% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   PHE   72  12.71 +/- 1.08   0.021% *  0.1412% (0.51  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PHE   72  13.76 +/- 1.23   0.012% *  0.1779% (0.64  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  15.90 +/- 1.47   0.008% *  0.2282% (0.82  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  15.12 +/- 0.91   0.007% *  0.1412% (0.51  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  17.66 +/- 1.32   0.004% *  0.0408% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  21.73 +/- 2.01   0.001% *  0.1133% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.152, support = 2.45, residual support = 6.77:
          HA    VAL   18 - HB3   PHE   72   2.82 +/- 0.59  99.252% * 72.5091% (0.15  1.00   2.45   6.77) =  99.975%  kept
          HA1   GLY   16 - HB3   PHE   72   7.77 +/- 0.95   0.367% *  2.4584% (0.63  1.00   0.02   0.02) =   0.013%
          HA    VAL   70 - HB3   PHE   72   7.97 +/- 0.42   0.337% *  2.0534% (0.53  1.00   0.02  39.31) =   0.010%
        T HA    LYS+  33 - HB3   PHE   72  14.38 +/- 0.79   0.010% * 10.4492% (0.27 10.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB3   PHE   72  13.31 +/- 0.88   0.015% *  3.3184% (0.85  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PHE   72  15.55 +/- 0.72   0.006% *  6.6998% (0.17 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB3   PHE   72  15.33 +/- 1.47   0.012% *  2.0534% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PHE   72  21.56 +/- 1.55   0.001% *  0.4582% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.67, residual support = 90.4:
      O T QD    PHE   72 - HB3   PHE   72   2.50 +/- 0.15  99.348% * 99.0530% (0.87  10.0 10.00   4.67  90.36) = 100.000%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.634% *  0.0306% (0.27   1.0  1.00   0.02  90.36) =   0.000%
        T QE    PHE   45 - HB3   PHE   72  10.65 +/- 0.53   0.018% *  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 = 90.4:
      O T QD    PHE   72 - HB2   PHE   72   2.39 +/- 0.12  99.502% * 99.8767% (0.83  10.0 10.00   4.48  90.36) = 100.000%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.486% *  0.0309% (0.26   1.0  1.00   0.02  90.36) =   0.000%
          QE    PHE   45 - HB2   PHE   72  10.96 +/- 0.93   0.012% *  0.0924% (0.77   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 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 5.03, residual support = 90.4:
      O   HN    PHE   72 - HB2   PHE   72   2.81 +/- 0.54  99.988% * 99.9402% (0.79  10.0   5.03  90.36) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  14.68 +/- 0.75   0.012% *  0.0598% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.854, support = 0.0198, residual support = 4.84:
          HB2   GLN   30 - HA    LEU   73   6.25 +/- 0.94  47.584% * 10.7462% (0.80   0.02   5.33) =  46.332%  kept
          HG3   GLN   30 - HA    LEU   73   6.73 +/- 1.54  36.826% * 13.3017% (0.99   0.02   5.33) =  44.383%  kept
          HB2   GLN   17 - HA    LEU   73   8.67 +/- 0.86  10.233% *  6.5324% (0.49   0.02   0.02) =   6.057%  kept
          QB    GLU-  15 - HA    LEU   73  10.57 +/- 0.74   3.163% *  6.5324% (0.49   0.02   0.02) =   1.872%  kept
          HB3   PRO   68 - HA    LEU   73  14.90 +/- 1.35   0.490% * 11.6413% (0.87   0.02   0.02) =   0.517%  kept
          HB3   GLU-  25 - HA    LEU   73  13.44 +/- 0.93   0.615% *  4.1422% (0.31   0.02   0.02) =   0.231%
          HB2   PRO   93 - HA    LEU   73  14.01 +/- 0.94   0.527% *  2.9879% (0.22   0.02   0.02) =   0.143%
          HB    ILE  119 - HA    LEU   73  17.69 +/- 1.29   0.142% * 10.7462% (0.80   0.02   0.02) =   0.138%
          HB3   GLU- 100 - HA    LEU   73  17.61 +/- 0.89   0.127% * 11.6413% (0.87   0.02   0.02) =   0.134%
          HB    VAL  108 - HA    LEU   73  17.27 +/- 1.57   0.173% *  7.5980% (0.57   0.02   0.02) =   0.119%
          HB2   ARG+  54 - HA    LEU   73  18.71 +/- 1.56   0.089% *  6.5324% (0.49   0.02   0.02) =   0.052%
          HB2   LYS+ 111 - HA    LEU   73  22.34 +/- 1.32   0.032% *  7.5980% (0.57   0.02   0.02) =   0.022%
    Distance limit 3.66 A violated in 16 structures by 1.83 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.58, residual support = 40.4:
      O   HN    LYS+  74 - HA    LEU   73   2.31 +/- 0.10  99.983% * 99.6525% (0.69  10.0   5.58  40.40) = 100.000%  kept
          HN    THR   46 - HA    LEU   73  10.05 +/- 0.49   0.016% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  23.22 +/- 2.80   0.000% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  21.78 +/- 1.27   0.000% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  16.83 +/- 1.53   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 = 0.783, support = 6.22, residual support = 166.1:
      O   HN    LEU   73 - HA    LEU   73   2.92 +/- 0.01  42.861% * 97.6685% (0.80  10.0   6.34 170.80) =  97.183%  kept
          HN    ILE   19 - HA    LEU   73   2.83 +/- 0.68  56.782% *  2.1361% (0.18   1.0   2.00   4.00) =   2.816%  kept
          HN    VAL   42 - HA    LEU   73   6.72 +/- 0.41   0.356% *  0.0977% (0.80   1.0   0.02   1.54) =   0.001%
          HN    LYS+ 106 - HA    LEU   73  16.90 +/- 0.30   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 = 6.14, residual support = 170.8:
      O   HN    LEU   73 - HB2   LEU   73   3.49 +/- 0.46  95.915% * 99.6355% (0.38  10.0   6.14 170.80) =  99.996%  kept
          HN    VAL   42 - HB2   LEU   73   6.01 +/- 0.76   4.075% *  0.0996% (0.38   1.0   0.02   1.54) =   0.004%
          HN    LYS+ 106 - HB2   LEU   73  16.34 +/- 0.96   0.010% *  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 = 0.802, support = 1.99, residual support = 7.85:
          HA    VAL   43 - HB2   LEU   73   4.59 +/- 1.17  95.150% * 87.9395% (0.80  1.00   2.00   7.90) =  99.400%  kept
        T HA    HIS   22 - HB2   LEU   73   8.62 +/- 0.91   4.567% * 10.9839% (1.00 10.00   0.02   0.02) =   0.596%  kept
          HA    ASN   69 - HB2   LEU   73  13.77 +/- 0.58   0.283% *  1.0766% (0.98  1.00   0.02   0.02) =   0.004%
    Distance limit 3.86 A violated in 7 structures by 0.88 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.4, residual support = 40.4:
          HN    LYS+  74 - HB3   LEU   73   3.43 +/- 0.57  99.951% * 97.4768% (0.25   5.40  40.40) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  13.06 +/- 0.46   0.044% *  0.5957% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  21.80 +/- 1.39   0.002% *  1.1073% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  24.64 +/- 3.62   0.003% *  0.8203% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.757, support = 5.57, residual support = 166.3:
          HN    LEU   73 - HG    LEU   73   3.17 +/- 0.74  48.397% * 77.0545% (0.80   5.68 170.80) =  91.634%  kept
          HN    ILE   19 - HG12  ILE   19   3.22 +/- 0.71  36.963% *  6.1024% (0.06   6.30 175.14) =   5.543%  kept
          HN    VAL   42 - HG    LEU   73   4.34 +/- 1.24  10.210% * 10.1011% (0.80   0.74   1.54) =   2.534%  kept
          HN    VAL   42 - HG    LEU   40   5.31 +/- 0.93   1.964% *  5.9028% (0.15   2.33   1.25) =   0.285%
          HN    ILE   19 - HG    LEU   73   5.33 +/- 0.52   1.499% *  0.0593% (0.18   0.02   4.00) =   0.002%
          HN    LEU   73 - HG12  ILE   19   6.30 +/- 1.21   0.732% *  0.0886% (0.26   0.02   4.00) =   0.002%
          HN    VAL   42 - HG12  ILE   19   8.35 +/- 1.37   0.111% *  0.0886% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   40   9.05 +/- 0.69   0.052% *  0.0506% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  10.70 +/- 0.67   0.019% *  0.0506% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.58 +/- 1.10   0.002% *  0.2713% (0.80   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  12.99 +/- 2.63   0.010% *  0.0330% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.27 +/- 1.80   0.017% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  15.06 +/- 3.00   0.004% *  0.0330% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.95 +/- 0.49   0.009% *  0.0111% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  19.87 +/- 1.34   0.000% *  0.0886% (0.26   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  14.48 +/- 2.45   0.004% *  0.0072% (0.02   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.20 +/- 1.85   0.003% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  20.88 +/- 2.98   0.000% *  0.0330% (0.10   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  16.40 +/- 2.11   0.002% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  17.81 +/- 1.50   0.001% *  0.0016% (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 = 0.0733, support = 1.49, residual support = 1.6:
          HN    LEU   71 - HG    LEU   40   4.71 +/- 0.64  77.379% * 46.8333% (0.05   1.63   1.78) =  89.772%  kept
          HN    LEU   71 - HG    LEU   73   7.04 +/- 1.13  10.706% * 36.3004% (0.28   0.24   0.02) =   9.627%  kept
          HN    THR   26 - HG    LEU   73  10.17 +/- 1.57   1.311% *  9.2627% (0.84   0.02   0.02) =   0.301%
          HN    LEU   71 - HG12  ILE   19   8.22 +/- 1.36   5.387% *  1.0070% (0.09   0.02   0.02) =   0.134%
          HN    THR   26 - HG    LEU   80   8.54 +/- 2.75   4.677% *  1.1271% (0.10   0.02   0.02) =   0.131%
          HN    THR   26 - HG12  ILE   19  11.49 +/- 0.54   0.446% *  3.0251% (0.27   0.02   0.02) =   0.033%
          HN    THR   26 - HG    LEU   40  18.77 +/- 1.32   0.024% *  1.7269% (0.16   0.02   0.02) =   0.001%
          HN    LEU   71 - HG    LEU   80  18.88 +/- 2.81   0.032% *  0.3752% (0.03   0.02   0.02) =   0.000%
          HN    LEU   71 - HG    LEU  115  17.71 +/- 2.00   0.035% *  0.0855% (0.01   0.02   0.02) =   0.000%
          HN    THR   26 - HG    LEU  115  26.21 +/- 2.15   0.003% *  0.2568% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 8 structures by 0.73 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 = 7.84, residual support = 170.2:
          HN    LEU   73 - QD2   LEU   73   2.86 +/- 0.74  83.692% * 96.0672% (0.38   7.87 170.80) =  99.646%  kept
          HN    VAL   42 - QD2   LEU   73   4.34 +/- 0.51   9.322% *  2.8957% (0.38   0.24   1.54) =   0.335%
          HN    LYS+ 106 - HG3   LYS+ 121   6.91 +/- 1.68   6.966% *  0.2214% (0.34   0.02   0.02) =   0.019%
          HN    LYS+ 106 - QD2   LEU   73  13.66 +/- 1.22   0.009% *  0.6492% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  14.54 +/- 1.07   0.008% *  0.0833% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  16.75 +/- 1.06   0.003% *  0.0833% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.73, residual support = 40.4:
          HN    LYS+  74 - QD2   LEU   73   3.79 +/- 0.23  99.832% * 96.7257% (0.25   5.73  40.40) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  12.45 +/- 1.11   0.093% *  0.5562% (0.41   0.02   0.02) =   0.001%
          HN    MET   11 - QD2   LEU   73  19.00 +/- 2.80   0.039% *  0.7659% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.68 +/- 1.04   0.022% *  0.3525% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QD2   LEU   73  19.00 +/- 1.40   0.008% *  1.0339% (0.76   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  20.77 +/- 1.11   0.004% *  0.1150% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  26.51 +/- 1.50   0.001% *  0.1897% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  35.79 +/- 2.82   0.000% *  0.2612% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.78, residual support = 187.4:
      O   HN    LYS+  74 - HB2   LYS+  74   2.93 +/- 0.34  99.896% * 99.3064% (0.20  10.0   5.78 187.42) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.31 +/- 0.88   0.102% *  0.1637% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  19.98 +/- 1.31   0.001% *  0.3044% (0.61   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  25.76 +/- 2.86   0.000% *  0.2255% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.4, residual support = 31.9:
          HN    VAL   75 - HB3   LYS+  74   4.12 +/- 0.27  99.466% * 98.5293% (0.41   4.40  31.88) =  99.995%  kept
          HN    ASP-  78 - HB3   LYS+  74   9.96 +/- 0.64   0.525% *  0.9441% (0.87   0.02   0.02) =   0.005%
          HN    LYS+ 112 - HB3   LYS+  74  20.77 +/- 1.36   0.007% *  0.3359% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+  74  25.52 +/- 2.45   0.002% *  0.1906% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.52 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.67, residual support = 31.9:
          HN    VAL   75 - HG2   LYS+  74   3.06 +/- 0.66  99.833% * 99.5066% (0.84   5.67  31.88) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.08 +/- 1.37   0.162% *  0.4119% (0.98   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  19.11 +/- 1.63   0.003% *  0.0375% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  21.20 +/- 2.26   0.002% *  0.0440% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.335, residual support = 0.335:
          QG1   VAL   75 - HA    THR   77   3.46 +/- 0.12  99.985% * 95.5857% (0.84   0.34   0.34) =  99.999%  kept
          QD1   LEU  115 - HA    THR   77  15.68 +/- 1.76   0.015% *  4.4143% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.07 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 = 37.4:
      O   HN    ASP-  78 - HB3   ASP-  78   3.04 +/- 0.50  99.930% * 99.9053% (0.95  10.0   3.95  37.35) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.40 +/- 0.66   0.070% *  0.0947% (0.90   1.0   0.02   0.02) =   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 = 4.88, residual support = 37.4:
      O   HN    ASP-  78 - HB2   ASP-  78   2.51 +/- 0.40  99.967% * 99.9053% (0.95  10.0   4.88  37.35) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78   9.86 +/- 0.49   0.033% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 53.6:
      O T HB3   GLU-  79 - HA    GLU-  79   2.83 +/- 0.21  99.979% * 99.1581% (1.00  10.0 10.00   4.14  53.61) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  13.05 +/- 1.68   0.015% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  17.55 +/- 1.10   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  16.23 +/- 1.05   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  23.01 +/- 1.26   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  28.64 +/- 1.08   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 0.01 A, kept.
 
    Peak 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.44, residual support = 53.6:
      O   QG    GLU-  79 - HB3   GLU-  79   2.34 +/- 0.15  99.994% * 99.5936% (0.98  10.0   3.44  53.61) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  13.47 +/- 1.63   0.004% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  18.23 +/- 1.60   0.001% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  21.67 +/- 1.29   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  20.08 +/- 0.99   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  18.16 +/- 0.97   0.001% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  26.97 +/- 1.34   0.000% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  27.16 +/- 1.39   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  24.10 +/- 1.79   0.000% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  22.93 +/- 1.11   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  25.82 +/- 1.96   0.000% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  31.36 +/- 1.46   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 = 0.984, support = 2.27, residual support = 5.21:
          HB2   ASP-  76 - HB3   GLU-  79   3.15 +/- 0.60  95.656% * 40.2524% (1.00  1.00   2.16   4.59) =  94.184%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.74 +/- 0.82   4.107% * 57.8781% (0.76  1.00   4.05  15.26) =   5.815%  kept
        T HB2   ASN   28 - HB3   GLU-  79  13.50 +/- 1.39   0.029% *  0.6556% (0.18 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB2   GLN   90  10.41 +/- 1.56   0.161% *  0.1063% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB2   GLN   90  13.38 +/- 1.65   0.036% *  0.1388% (0.37  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  17.65 +/- 2.24   0.008% *  0.0934% (0.25  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  22.53 +/- 1.80   0.001% *  0.2436% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.35 +/- 1.14   0.000% *  0.3613% (0.97  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  24.34 +/- 0.58   0.001% *  0.0741% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  32.70 +/- 1.08   0.000% *  0.1342% (0.36  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  26.71 +/- 1.87   0.000% *  0.0347% (0.09  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  26.64 +/- 1.39   0.000% *  0.0275% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.14, residual support = 53.6:
      O T HA    GLU-  79 - HB3   GLU-  79   2.83 +/- 0.21  97.198% * 98.8585% (0.80  10.0 10.00   4.14  53.61) =  99.999%  kept
          HB    THR   77 - HB2   GLN   90   6.58 +/- 1.68   2.079% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   7.89 +/- 0.50   0.256% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   7.57 +/- 0.96   0.379% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  13.05 +/- 1.68   0.015% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  12.10 +/- 1.96   0.032% *  0.0434% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  12.99 +/- 0.52   0.012% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.94 +/- 1.20   0.015% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.51 +/- 1.72   0.004% *  0.1210% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.76 +/- 2.03   0.002% *  0.1168% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  17.26 +/- 1.23   0.002% *  0.0450% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  15.03 +/- 0.93   0.005% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.09 +/- 1.23   0.000% *  0.1071% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  22.31 +/- 1.58   0.000% *  0.0508% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  23.46 +/- 1.43   0.000% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  30.09 +/- 4.00   0.000% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  28.46 +/- 1.05   0.000% *  0.0343% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  30.55 +/- 1.18   0.000% *  0.0398% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  25.72 +/- 1.70   0.000% *  0.0128% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  41.62 +/- 3.90   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 = 3.96, residual support = 95.5:
      O T HA    GLN   90 - HB2   GLN   90   2.60 +/- 0.33  96.218% * 96.0605% (0.27  10.0 10.00   3.96  95.54) =  99.997%  kept
          HA    ALA   91 - HB2   GLN   90   4.95 +/- 0.40   3.695% *  0.0644% (0.18   1.0  1.00   0.02  31.98) =   0.003%
        T HA    GLN   90 - HB3   GLU-  79  12.00 +/- 1.55   0.017% *  2.5853% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   GLU-  79  12.90 +/- 2.84   0.023% *  0.1733% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79  10.50 +/- 1.72   0.038% *  0.0990% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  15.25 +/- 1.50   0.004% *  0.1105% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.68 +/- 2.89   0.001% *  0.2974% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  20.27 +/- 1.95   0.001% *  0.1873% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.09 +/- 0.89   0.001% *  0.0856% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  17.48 +/- 1.74   0.001% *  0.0696% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.59 +/- 1.36   0.000% *  0.2303% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  20.34 +/- 1.80   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 = 0.984, support = 2.07, residual support = 5.2:
          HB2   ASP-  76 - HB2   GLU-  79   2.87 +/- 0.62  96.082% * 39.6277% (1.00   1.96   4.59) =  94.242%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.41 +/- 0.92   3.895% * 59.7279% (0.76   3.85  15.26) =   5.758%  kept
          HB2   ASN   28 - HB2   GLU-  79  13.83 +/- 1.34   0.019% *  0.0711% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  17.85 +/- 2.09   0.004% *  0.1012% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  26.40 +/- 0.91   0.000% *  0.3918% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  24.18 +/- 0.91   0.000% *  0.0803% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.37, residual support = 48.7:
          HN    LEU   80 - HB2   GLU-  79   2.81 +/- 0.73  99.932% * 98.5152% (0.61   5.37  48.66) = 100.000%  kept
          HN    SER   85 - HB2   GLU-  79  10.66 +/- 0.65   0.053% *  0.2943% (0.49   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLU-  79  15.51 +/- 1.50   0.010% *  0.2269% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  17.46 +/- 1.27   0.003% *  0.5245% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  19.34 +/- 1.22   0.002% *  0.4391% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.53, residual support = 48.7:
          HN    LEU   80 - HB3   GLU-  79   2.66 +/- 0.57  99.475% * 97.9016% (0.61   5.53  48.66) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   8.61 +/- 1.34   0.407% *  0.1056% (0.18   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.57 +/- 0.54   0.036% *  0.2842% (0.49   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  11.91 +/- 1.78   0.035% *  0.1316% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  11.25 +/- 1.34   0.038% *  0.0814% (0.14   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.19 +/- 1.71   0.002% *  0.5065% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  15.84 +/- 1.69   0.005% *  0.2192% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  19.12 +/- 1.54   0.001% *  0.4240% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  25.76 +/- 2.00   0.000% *  0.1882% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  27.29 +/- 1.72   0.000% *  0.1576% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.59, residual support = 95.5:
      O   HN    GLN   90 - HB2   GLN   90   3.36 +/- 0.45  98.023% * 98.6230% (0.23  10.0   5.59  95.54) =  99.998%  kept
          HE1   HIS   22 - HB3   GLU-  79   7.94 +/- 1.68   1.851% *  0.0675% (0.15   1.0   0.02   0.02) =   0.001%
          HN    GLN   90 - HB3   GLU-  79  12.96 +/- 1.41   0.078% *  0.2654% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB2   GLN   90  13.17 +/- 1.54   0.038% *  0.1458% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  19.19 +/- 2.29   0.004% *  0.3925% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  23.60 +/- 1.81   0.001% *  0.3504% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  24.50 +/- 1.77   0.001% *  0.1302% (0.30   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  19.42 +/- 2.33   0.004% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.14, residual support = 48.7:
          HN    LEU   80 - QG    GLU-  79   3.77 +/- 0.13  99.706% * 98.4488% (0.61   5.14  48.66) =  99.999%  kept
          HN    SER   85 - QG    GLU-  79  10.42 +/- 0.35   0.229% *  0.3075% (0.49   0.02   0.02) =   0.001%
          HN    GLN   32 - QG    GLU-  79  15.57 +/- 1.39   0.025% *  0.5480% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  15.30 +/- 1.62   0.028% *  0.2371% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  17.38 +/- 1.23   0.012% *  0.4587% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.5, residual support = 48.7:
      O   HN    LEU   80 - HA    GLU-  79   3.62 +/- 0.03  99.782% * 99.2120% (0.28  10.0   5.50  48.66) =  99.999%  kept
          HN    SER   85 - HA    GLU-  79  10.15 +/- 0.33   0.210% *  0.2980% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    GLU-  79  19.30 +/- 1.30   0.005% *  0.3560% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  21.43 +/- 1.03   0.002% *  0.1339% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.633, support = 4.18, residual support = 81.6:
      O   HB2   LEU   80 - QD2   LEU   80   2.49 +/- 0.45  32.792% * 71.2691% (0.87  10.0  1.00   3.98  81.59) =  55.396%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.10 +/- 0.02  67.143% * 28.0259% (0.34  10.0  1.00   4.44  81.59) =  44.603%  kept
        T HB3   LEU   73 - QD2   LEU   80   8.11 +/- 1.98   0.032% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   80   8.43 +/- 1.57   0.021% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  12.46 +/- 2.29   0.002% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  11.81 +/- 2.03   0.003% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  13.61 +/- 3.10   0.002% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  12.78 +/- 2.15   0.002% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  14.37 +/- 1.83   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  18.69 +/- 2.72   0.000% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  13.44 +/- 0.93   0.001% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  21.15 +/- 2.58   0.000% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  18.79 +/- 2.97   0.000% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  18.59 +/- 1.30   0.000% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  21.86 +/- 1.46   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 = 0.915, support = 4.55, residual support = 49.3:
          HA    LEU   80 - QD2   LEU   80   3.24 +/- 0.77  40.981% * 54.0595% (0.87   5.93  81.59) =  58.355%  kept
          HA    THR   23 - QD2   LEU   80   3.51 +/- 1.95  55.905% * 27.3673% (0.99   2.63   4.10) =  40.300%  kept
          HB    THR   23 - QD2   LEU   80   5.18 +/- 1.85   2.785% * 18.3105% (0.73   2.40   4.10) =   1.343%  kept
          HA    ASP-  78 - QD2   LEU   80   7.63 +/- 0.69   0.328% *  0.1684% (0.80   0.02   3.69) =   0.001%
          HA    ASP- 105 - QD2   LEU   80  18.06 +/- 2.26   0.001% *  0.0943% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.719, support = 3.26, residual support = 13.2:
          HE3   TRP   27 - QD2   LEU   80   4.98 +/- 3.51  43.928% * 46.4717% (0.92   2.90  10.87) =  61.431%  kept
          HN    THR   23 - QD2   LEU   80   4.50 +/- 2.17  39.173% * 17.3853% (0.41   2.43   4.10) =  20.494%  kept
          HN    LYS+  81 - QD2   LEU   80   5.13 +/- 0.60  16.854% * 35.6384% (0.38   5.46  31.57) =  18.075%  kept
          QE    PHE   95 - QD2   LEU   80  11.96 +/- 1.30   0.036% *  0.1559% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   80  17.10 +/- 1.38   0.006% *  0.3016% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  18.43 +/- 1.62   0.003% *  0.0471% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 2.92, residual support = 8.89:
          HN    VAL   24 - QD2   LEU   80   3.29 +/- 2.17  99.614% * 99.5086% (0.31   2.92   8.89) =  99.998%  kept
          HN    VAL   43 - QD2   LEU   80  10.83 +/- 2.17   0.386% *  0.4914% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.43 A violated in 2 structures by 0.58 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.277, support = 4.2, residual support = 25.5:
          HN    LYS+  81 - QD1   LEU   80   3.99 +/- 0.33  46.723% * 60.4264% (0.24   5.19  31.57) =  75.873%  kept
          HN    THR   23 - QD1   LEU   80   5.05 +/- 2.59  35.479% * 16.0729% (0.27   1.26   4.10) =  15.325%  kept
          HE3   TRP   27 - QD1   LEU   80   6.52 +/- 3.62  15.223% * 21.4764% (0.60   0.75  10.87) =   8.786%  kept
          HE3   TRP   27 - QD2   LEU   98   8.28 +/- 1.47   0.929% *  0.3283% (0.34   0.02   0.02) =   0.008%
          QE    PHE   95 - QD2   LEU   98   9.65 +/- 2.14   1.493% *  0.1594% (0.17   0.02   0.02) =   0.006%
          QE    PHE   95 - QD1   LEU   80  12.46 +/- 1.79   0.057% *  0.2781% (0.29   0.02   0.02) =   0.000%
          HN    THR   23 - QD2   LEU   98  13.00 +/- 1.44   0.036% *  0.1462% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  17.06 +/- 1.96   0.008% *  0.5382% (0.56   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  17.25 +/- 1.56   0.007% *  0.3085% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  13.36 +/- 0.84   0.031% *  0.0481% (0.05   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  16.17 +/- 2.05   0.010% *  0.1335% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  19.26 +/- 1.96   0.003% *  0.0840% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 106.8:
          HN    LYS+  81 - QG    LYS+  81   2.27 +/- 0.27  99.953% * 98.6665% (0.87   5.34 106.82) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33  11.01 +/- 2.37   0.023% *  0.0915% (0.21   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  11.93 +/- 2.19   0.010% *  0.1911% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  14.31 +/- 0.79   0.002% *  0.2242% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  12.95 +/- 1.29   0.005% *  0.0493% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  15.05 +/- 1.59   0.002% *  0.1074% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  17.33 +/- 1.83   0.001% *  0.1599% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.19 +/- 1.83   0.002% *  0.0420% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  21.74 +/- 1.86   0.000% *  0.1770% (0.42   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.82 +/- 1.10   0.001% *  0.0352% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  21.29 +/- 2.84   0.000% *  0.0813% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  18.06 +/- 1.98   0.001% *  0.0276% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.32 +/- 1.46   0.001% *  0.0127% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  23.79 +/- 0.86   0.000% *  0.0577% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  26.00 +/- 2.37   0.000% *  0.0766% (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 = 0.78, residual support = 1.56:
          HN    GLU-  79 - QG    LYS+  81   3.95 +/- 0.12  99.212% * 94.1278% (0.65   0.78   1.56) =  99.996%  kept
          HN    VAL   70 - HG2   LYS+  33  12.06 +/- 2.23   0.276% *  0.7343% (0.20   0.02   0.02) =   0.002%
          HN    THR   94 - QG    LYS+  81  12.62 +/- 1.24   0.109% *  0.9302% (0.25   0.02   0.02) =   0.001%
          HN    THR   94 - HG2   LYS+ 106  10.54 +/- 1.04   0.367% *  0.2047% (0.05   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG2   LYS+  33  20.45 +/- 1.10   0.005% *  1.1555% (0.31   0.02   0.02) =   0.000%
          HN    VAL   70 - HG2   LYS+ 106  17.30 +/- 1.19   0.016% *  0.3375% (0.09   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  20.54 +/- 2.15   0.006% *  0.5310% (0.14   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  24.26 +/- 0.38   0.002% *  1.5337% (0.41   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.49 +/- 1.36   0.006% *  0.4454% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.23, residual support = 106.8:
      O   HN    LYS+  81 - QB    LYS+  81   2.38 +/- 0.16  98.916% * 99.1682% (0.38  10.0   5.23 106.82) = 100.000%  kept
          QD    PHE   55 - HB3   PRO   52   5.86 +/- 0.71   1.023% *  0.0263% (0.10   1.0   0.02   0.22) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  12.50 +/- 2.63   0.008% *  0.2439% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - QB    LYS+  81  11.11 +/- 1.43   0.012% *  0.1086% (0.41   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52   9.80 +/- 2.09   0.038% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  15.82 +/- 1.38   0.001% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  18.56 +/- 1.84   0.001% *  0.2292% (0.87   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  20.28 +/- 2.10   0.000% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  18.59 +/- 1.79   0.001% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  25.16 +/- 0.69   0.000% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  21.98 +/- 1.41   0.000% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  21.44 +/- 1.20   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 = 5.31, residual support = 106.8:
      O   HN    LYS+  81 - HA    LYS+  81   2.74 +/- 0.04  99.971% * 99.8291% (0.87  10.0   5.31 106.82) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  12.28 +/- 2.98   0.024% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  15.62 +/- 0.79   0.003% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  19.08 +/- 1.75   0.001% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  26.11 +/- 0.92   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 = 0.877, support = 1.89, residual support = 6.23:
          HA    ASP-  78 - QG    LYS+  81   2.73 +/- 0.93  87.955% * 38.5748% (0.98   1.24   1.02) =  82.960%  kept
          HA    LEU   80 - QG    LYS+  81   4.58 +/- 0.41  11.697% * 59.5703% (0.38   5.02  31.57) =  17.037%  kept
          HA    THR   23 - QG    LYS+  81   8.79 +/- 1.43   0.212% *  0.4836% (0.76   0.02   0.02) =   0.003%
          HB    THR   23 - QG    LYS+  81  10.61 +/- 1.56   0.060% *  0.1578% (0.25   0.02   0.02) =   0.000%
          HA    PHE   45 - QG    LYS+  81   9.83 +/- 0.71   0.049% *  0.0976% (0.15   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+  33  15.22 +/- 0.73   0.004% *  0.2315% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  14.45 +/- 1.02   0.006% *  0.0755% (0.12   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  13.30 +/- 1.45   0.010% *  0.0215% (0.03   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  19.53 +/- 2.43   0.001% *  0.1137% (0.18   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  17.46 +/- 1.16   0.002% *  0.0467% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  23.62 +/- 0.94   0.000% *  0.2970% (0.47   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  21.38 +/- 2.27   0.001% *  0.1365% (0.22   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  21.06 +/- 2.49   0.001% *  0.1064% (0.17   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  20.52 +/- 3.05   0.001% *  0.0523% (0.08   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  22.51 +/- 2.25   0.000% *  0.0347% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.71, residual support = 34.8:
      O   HN    SER   82 - HB3   SER   82   2.97 +/- 0.19 100.000% * 99.5254% (0.41  10.0   3.71  34.83) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  26.83 +/- 2.40   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  29.28 +/- 2.33   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 = 0.374, support = 3.35, residual support = 15.3:
      O   HN    TRP   49 - HA    SER   48   3.52 +/- 0.05  36.608% * 84.8139% (0.40  10.0   3.28  14.92) =  84.654%  kept
          HN    VAL   83 - HB2   SER   82   3.36 +/- 0.19  48.207% * 10.3368% (0.24   1.0   4.10  19.88) =  13.586%  kept
          HN    CYS   50 - HA    SER   48   4.51 +/- 1.00  15.083% *  4.2783% (0.36   1.0   1.12   0.02) =   1.759%  kept
          HE22  GLN   30 - HA    VAL   70  10.61 +/- 1.58   0.074% *  0.0239% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  15.68 +/- 1.89   0.009% *  0.1545% (0.72   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  17.75 +/- 2.08   0.003% *  0.1388% (0.65   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  17.73 +/- 3.40   0.004% *  0.0689% (0.32   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  14.60 +/- 1.36   0.009% *  0.0277% (0.13   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  19.16 +/- 1.65   0.002% *  0.0379% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  25.58 +/- 0.81   0.000% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  26.07 +/- 0.50   0.000% *  0.0536% (0.25   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  23.77 +/- 2.50   0.000% *  0.0175% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2928 (8.66, 3.99, 61.93 ppm):
    9 chemical-shift based assignments, quality = 0.389, support = 4.32, residual support = 34.8:
      O   HN    SER   82 - HB2   SER   82   2.18 +/- 0.34  99.765% * 99.0159% (0.39  10.0   4.32  34.83) = 100.000%  kept
          HN    GLY   16 - HA    VAL   70   8.34 +/- 1.38   0.231% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    SER   48  14.03 +/- 1.59   0.003% *  0.0544% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  18.12 +/- 1.40   0.001% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  23.27 +/- 1.19   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  22.96 +/- 1.94   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  27.17 +/- 2.08   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  29.96 +/- 1.99   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  25.61 +/- 1.82   0.000% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.437, support = 5.35, residual support = 42.7:
          HN    ALA   84 - HB    VAL   83   3.24 +/- 0.34  99.990% * 98.8160% (0.44   5.35  42.69) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  20.04 +/- 3.28   0.004% *  0.6812% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  20.75 +/- 3.17   0.003% *  0.3697% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  19.06 +/- 1.31   0.003% *  0.1330% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 87.2:
      O   HN    VAL   83 - HB    VAL   83   2.45 +/- 0.54  99.991% * 99.8243% (0.65  10.0   4.77  87.17) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  15.63 +/- 1.60   0.003% *  0.1375% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  14.17 +/- 1.37   0.006% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.954, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   6.84 +/- 1.08  93.135% * 31.7530% (0.96   0.02   0.02) =  94.728%  kept
          HD21  ASN   28 - HA    ALA   84  12.46 +/- 2.40   3.975% * 30.7120% (0.93   0.02   0.02) =   3.910%  kept
          QE    PHE   60 - HA    ALA   84  14.13 +/- 1.69   2.090% * 16.7431% (0.51   0.02   0.02) =   1.121%  kept
          HN    ILE   56 - HA    ALA   84  16.82 +/- 0.94   0.658% *  8.8482% (0.27   0.02   0.02) =   0.186%
          HN    LEU   63 - HA    ALA   84  21.17 +/- 1.54   0.143% * 11.9438% (0.36   0.02   0.02) =   0.055%
    Distance limit 3.45 A violated in 20 structures by 3.31 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.518, residual support = 1.03:
          QE    PHE   45 - HA    ALA   84   5.49 +/- 2.23  99.487% * 94.0160% (0.81   0.52   1.03) =  99.980%  kept
          QD    PHE   72 - HA    ALA   84  17.29 +/- 1.57   0.403% *  4.1964% (0.93   0.02   0.02) =   0.018%
          HZ    PHE   72 - HA    ALA   84  22.03 +/- 2.14   0.110% *  1.7876% (0.40   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 10 structures by 1.62 A, kept.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.38, residual support = 12.2:
          HB    ILE   89 - HA    ALA   84   3.40 +/- 1.01  99.948% * 98.4675% (0.91   1.38  12.23) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  14.69 +/- 0.86   0.050% *  0.6772% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  23.40 +/- 2.66   0.002% *  0.8552% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 2 structures by 0.25 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.742, support = 3.31, residual support = 32.1:
          QG2   VAL   83 - HA    ALA   84   3.51 +/- 0.46  66.961% * 47.9897% (0.66   3.55  42.69) =  65.224%  kept
          QD1   ILE   89 - HA    ALA   84   4.13 +/- 1.09  33.004% * 51.9122% (0.89   2.86  12.23) =  34.776%  kept
          QD2   LEU   31 - HA    ALA   84  12.77 +/- 2.18   0.035% *  0.0981% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.81, residual support = 12.2:
          HG13  ILE   89 - HA    ALA   84   4.48 +/- 1.63 100.000% *100.0000% (0.55   2.81  12.23) = 100.000%  kept
    Distance limit 3.77 A violated in 9 structures by 1.10 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.754, support = 3.72, residual support = 30.5:
          QG2   VAL   83 - QB    ALA   84   3.97 +/- 0.59  63.847% * 45.6171% (0.66  1.00   3.92  42.69) =  60.145%  kept
          QD1   ILE   89 - QB    ALA   84   4.50 +/- 1.20  36.048% * 53.5370% (0.89  1.00   3.42  12.23) =  39.853%  kept
        T QD2   LEU   31 - QB    ALA   84  11.61 +/- 1.61   0.104% *  0.8459% (0.24 10.00   0.02   0.02) =   0.002%
    Distance limit 3.78 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.53, residual support = 12.2:
          HG13  ILE   89 - QB    ALA   84   4.74 +/- 1.68 100.000% *100.0000% (0.55   3.53  12.23) = 100.000%  kept
    Distance limit 3.70 A violated in 11 structures by 1.36 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.516, residual support = 1.03:
          QD    PHE   45 - QB    ALA   84   5.37 +/- 1.48  99.845% * 98.5953% (0.87   0.52   1.03) =  99.999%  kept
          HD2   HIS  122 - QB    ALA   84  19.65 +/- 1.51   0.092% *  0.7468% (0.17   0.02   0.02) =   0.001%
          HE22  GLN  116 - QB    ALA   84  22.75 +/- 1.65   0.063% *  0.6579% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 13 structures by 1.48 A, kept.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.616, support = 0.0199, residual support = 0.0199:
          HN    TRP   49 - QB    ALA   84   8.66 +/- 1.12  93.565% * 28.9138% (0.59   0.02   0.02) =  90.331%  kept
          HE22  GLN   30 - QB    ALA   84  14.93 +/- 2.14   6.126% * 46.0056% (0.93   0.02   0.02) =   9.411%  kept
          HD22  ASN   69 - QB    ALA   84  24.02 +/- 1.64   0.309% * 25.0806% (0.51   0.02   0.02) =   0.259%
    Distance limit 4.13 A violated in 19 structures by 4.43 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 +/- 0.09  99.984% * 99.7822% (0.99  10.0   3.15  18.14) = 100.000%  kept
          HN    SER   85 - QB    SER   48  12.47 +/- 1.63   0.005% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  13.78 +/- 0.98   0.002% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.64 +/- 0.80   0.005% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  19.44 +/- 3.27   0.000% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.85 +/- 1.14   0.003% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  21.82 +/- 2.93   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  22.27 +/- 0.88   0.000% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  23.50 +/- 2.10   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  23.88 +/- 0.98   0.000% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.14 +/- 0.82   0.000% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.12 +/- 0.94   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   2.97 +/- 0.04  99.909% * 97.6197% (0.87   3.33  13.43) = 100.000%  kept
          HN    GLU-  29 - QB    SER   85  16.80 +/- 2.91   0.004% *  0.6619% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER   48  14.17 +/- 1.61   0.013% *  0.1428% (0.21   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  17.69 +/- 2.84   0.003% *  0.5407% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.63 +/- 0.95   0.060% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  19.61 +/- 0.69   0.001% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  19.24 +/- 0.79   0.001% *  0.1318% (0.20   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  16.43 +/- 1.75   0.004% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  22.91 +/- 2.51   0.001% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  23.30 +/- 1.17   0.000% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  23.78 +/- 0.74   0.000% *  0.0834% (0.12   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  25.01 +/- 2.53   0.000% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  25.48 +/- 0.71   0.000% *  0.1021% (0.15   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.61 +/- 1.12   0.001% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  29.81 +/- 2.33   0.000% *  0.1503% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  22.92 +/- 1.74   0.001% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  24.87 +/- 1.72   0.000% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  26.95 +/- 1.23   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 = 2.91, residual support = 16.1:
      O   HN    SER  117 - QB    SER  117   2.16 +/- 0.08 100.000% * 98.5738% (0.12  10.0   2.91  16.07) = 100.000%  kept
          HN    SER  117 - QB    SER   85  25.13 +/- 1.68   0.000% *  0.6389% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  22.10 +/- 1.66   0.000% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  26.86 +/- 1.86   0.000% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  21.93 +/- 1.56   0.000% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  21.14 +/- 1.16   0.000% *  0.0697% (0.09   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   2.80 +/- 0.04  99.991% * 99.8725% (0.99  10.0   3.65  18.14) = 100.000%  kept
          HN    THR   94 - HA    SER   85  13.73 +/- 1.00   0.008% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  22.26 +/- 3.15   0.001% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  24.57 +/- 2.86   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 = 42.0:
      O   HN    ASP-  86 - HB3   ASP-  86   2.74 +/- 0.58  99.975% * 99.6620% (0.95  10.0   3.56  42.00) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  16.17 +/- 3.55   0.009% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  15.35 +/- 3.45   0.012% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  19.96 +/- 4.12   0.003% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  24.22 +/- 3.92   0.001% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  30.47 +/- 3.29   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 = 5.08, residual support = 42.0:
      O   HN    ASP-  86 - HB2   ASP-  86   2.55 +/- 0.23  99.993% * 99.2641% (0.49  10.0   5.08  42.00) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  16.13 +/- 3.61   0.003% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  19.60 +/- 4.23   0.001% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  15.51 +/- 3.47   0.003% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  23.42 +/- 3.92   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  30.04 +/- 3.38   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 = 0.467, support = 3.65, residual support = 22.6:
          HD1   TRP   87 - HB2   ASP-  86   3.72 +/- 0.41  71.541% * 36.8857% (0.38   3.60  22.56) =  60.301%  kept
          HE3   TRP   87 - HB2   ASP-  86   4.71 +/- 0.94  28.311% * 61.3590% (0.61   3.71  22.56) =  39.697%  kept
          HN    ALA   91 - HB2   ASP-  86  10.97 +/- 0.55   0.105% *  0.5158% (0.95   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   ASP-  86  13.64 +/- 2.97   0.041% *  0.5262% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASP-  86  21.95 +/- 1.47   0.002% *  0.4890% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  23.69 +/- 3.97   0.001% *  0.2242% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.13 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   3.06 +/- 0.64  98.999% * 98.2344% (0.22 10.00   2.25  10.83) =  99.998%  kept
          HB3   SER   82 - HB2   ASP-  86   6.74 +/- 0.99   0.984% *  0.1814% (0.41  1.00   0.02   0.02) =   0.002%
          HB2   CYS   53 - HB2   ASP-  86  17.43 +/- 1.15   0.005% *  0.3957% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   ASP-  86  18.56 +/- 3.63   0.004% *  0.4258% (0.97  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  19.21 +/- 1.97   0.003% *  0.4073% (0.92  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  21.93 +/- 4.22   0.002% *  0.0873% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  23.47 +/- 1.22   0.001% *  0.1227% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  22.74 +/- 3.69   0.001% *  0.0681% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  29.15 +/- 3.15   0.000% *  0.0773% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.05, residual support = 42.0:
      O   HN    ASP-  86 - HA    ASP-  86   2.72 +/- 0.01  99.996% * 99.2641% (0.49  10.0   4.05  42.00) = 100.000%  kept
          HN    GLN   30 - HA    ASP-  86  18.45 +/- 3.55   0.002% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    ASP-  86  21.69 +/- 4.13   0.001% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  17.54 +/- 3.51   0.002% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  25.91 +/- 3.71   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  32.76 +/- 3.23   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 = 3.59, residual support = 74.4:
          HE3   TRP   87 - HA    TRP   87   3.30 +/- 0.20  99.755% * 98.5935% (0.99   3.59  74.42) =  99.999%  kept
          HN    ALA   91 - HA    TRP   87   9.70 +/- 1.17   0.238% *  0.4805% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    TRP   87  17.24 +/- 2.37   0.006% *  0.2914% (0.53   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    TRP   87  22.44 +/- 1.59   0.001% *  0.5113% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  27.40 +/- 2.69   0.000% *  0.1233% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.28, residual support = 74.4:
      O   HE3   TRP   87 - HB2   TRP   87   2.49 +/- 0.09  99.918% * 99.7445% (0.99  10.0   3.28  74.42) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   9.24 +/- 1.26   0.080% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  16.37 +/- 2.30   0.002% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   87  20.56 +/- 1.81   0.000% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  25.65 +/- 2.85   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 = 3.28, residual support = 74.4:
      O   HE3   TRP   87 - HB3   TRP   87   4.03 +/- 0.05  96.178% * 99.7445% (0.99  10.0   3.28  74.42) =  99.997%  kept
          HN    ALA   91 - HB3   TRP   87   7.66 +/- 1.12   3.780% *  0.0873% (0.87   1.0   0.02   0.02) =   0.003%
          HN    TRP   27 - HB3   TRP   87  16.04 +/- 2.06   0.032% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   87  19.73 +/- 1.56   0.008% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB3   TRP   87  25.19 +/- 2.52   0.002% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 3 structures by 0.84 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.901, support = 2.12, residual support = 19.5:
          QD1   ILE   89 - HB2   TRP   87   3.23 +/- 0.79  93.178% * 60.2835% (0.90   2.16  19.79) =  95.491%  kept
          QG2   VAL   83 - HB2   TRP   87   6.09 +/- 0.79   6.755% * 39.2638% (1.00   1.26  12.99) =   4.509%  kept
          QD2   LEU   31 - HB2   TRP   87  12.97 +/- 2.74   0.067% *  0.4527% (0.73   0.02   1.53) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.75, residual support = 19.8:
        T QD1   ILE   89 - HB3   TRP   87   2.17 +/- 0.65  95.769% * 99.8495% (0.45 10.00   3.75  19.79) =  99.998%  kept
          QG2   VAL   83 - HB3   TRP   87   5.59 +/- 0.84   4.041% *  0.0496% (0.22  1.00   0.02  12.99) =   0.002%
          QG2   VAL   75 - HB3   TRP   87   9.26 +/- 2.04   0.187% *  0.0619% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  14.32 +/- 2.41   0.002% *  0.0390% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.23, support = 0.742, residual support = 19.6:
          HG12  ILE   89 - HB3   TRP   87   3.32 +/- 1.03  90.226% * 54.8868% (0.22   0.75  19.79) =  98.895%  kept
          QB    ALA   91 - HB3   TRP   87   7.74 +/- 1.90   9.595% *  5.7027% (0.87   0.02   0.02) =   1.093%  kept
          QG2   ILE   56 - HB3   TRP   87  12.86 +/- 2.04   0.097% *  2.7027% (0.41   0.02   0.02) =   0.005%
          HG2   LYS+  74 - HB3   TRP   87  14.96 +/- 2.26   0.036% *  5.8960% (0.90   0.02   0.02) =   0.004%
          QG2   THR   39 - HB3   TRP   87  20.21 +/- 2.57   0.005% *  5.7027% (0.87   0.02   0.02) =   0.001%
          QB    ALA   34 - HB3   TRP   87  16.86 +/- 2.59   0.014% *  1.6393% (0.25   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  21.26 +/- 2.75   0.004% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  17.47 +/- 3.66   0.017% *  1.1513% (0.18   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  21.91 +/- 2.29   0.003% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  22.86 +/- 2.93   0.002% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  26.93 +/- 3.13   0.001% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 11.9:
      O   HN    ALA   88 - HA    ALA   88   2.23 +/- 0.01  99.999% * 99.0353% (0.38  10.0   1.63  11.86) = 100.000%  kept
          HN    PHE   55 - HA    ALA   88  19.12 +/- 1.48   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  17.64 +/- 1.60   0.000% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ALA   88  21.09 +/- 2.74   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  24.85 +/- 0.89   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 = 2.01, residual support = 11.9:
      O   HN    ALA   88 - QB    ALA   88   2.88 +/- 0.10  99.988% * 99.2112% (0.38  10.0   2.01  11.86) = 100.000%  kept
          HN    PHE   55 - QB    ALA   88  16.22 +/- 1.28   0.004% *  0.2293% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  15.19 +/- 1.34   0.006% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   88  18.61 +/- 2.35   0.002% *  0.2293% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  21.21 +/- 1.04   0.001% *  0.2117% (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 = 217.3:
          QD1   ILE   89 - HA    ILE   89   2.55 +/- 0.60  99.577% * 99.6619% (0.92   5.98 217.33) =  99.999%  kept
          QG2   VAL   83 - HA    ILE   89   7.25 +/- 0.66   0.419% *  0.2481% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   31 - HA    ILE   89  15.04 +/- 1.99   0.004% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.43, residual support = 40.6:
      O   HN    GLN   90 - HA    ILE   89   2.71 +/- 0.48  99.872% * 99.8365% (0.99  10.0   6.43  40.58) = 100.000%  kept
          HN    GLY  109 - HA    ILE   89  10.33 +/- 2.26   0.092% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ILE   89  11.19 +/- 0.38   0.034% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  19.79 +/- 2.40   0.002% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.01, residual support = 217.3:
      O   HN    ILE   89 - HA    ILE   89   2.70 +/- 0.20  99.997% * 99.6601% (0.76  10.0   6.01 217.33) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  16.91 +/- 1.93   0.002% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  20.56 +/- 1.91   0.001% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  27.91 +/- 2.39   0.000% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  23.91 +/- 2.46   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 = 0.918, support = 2.43, residual support = 8.42:
          HN    ALA   91 - HA    ILE   89   3.90 +/- 0.55  79.312% * 81.0937% (0.95   2.49   7.84) =  95.128%  kept
          HD1   TRP   87 - HA    ILE   89   5.06 +/- 0.76  19.433% * 16.9224% (0.38   1.31  19.79) =   4.864%  kept
          HE3   TRP   87 - HA    ILE   89   8.09 +/- 0.56   1.237% *  0.4179% (0.61   0.02  19.79) =   0.008%
          HN    TRP   27 - HA    ILE   89  17.67 +/- 1.83   0.010% *  0.6649% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  18.92 +/- 1.36   0.007% *  0.6179% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  26.71 +/- 2.25   0.001% *  0.2832% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 5.31, residual support = 217.3:
      O T QD1   ILE   89 - HB    ILE   89   2.74 +/- 0.47  93.391% * 99.6065% (0.74  10.0 10.00   5.31 217.33) =  99.995%  kept
          QG2   VAL   83 - HB    ILE   89   5.68 +/- 1.26   3.102% *  0.0741% (0.55   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU   31 - HB    VAL   43   5.75 +/- 0.81   2.818% *  0.0588% (0.04   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   ILE   89 - HB    VAL   43   9.22 +/- 2.03   0.404% *  0.2175% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB    VAL   43   8.39 +/- 2.70   0.275% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  13.75 +/- 1.81   0.010% *  0.0269% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 217.3:
      O T HG13  ILE   89 - HB    ILE   89   2.59 +/- 0.20  99.973% * 99.7821% (0.78  10.0 10.00   4.97 217.33) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43  11.26 +/- 2.19   0.027% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    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 = 5.58, residual support = 217.3:
      O   HN    ILE   89 - HB    ILE   89   2.55 +/- 0.55  99.904% * 99.5645% (0.61  10.0   5.58 217.33) = 100.000%  kept
          HN    CYS   21 - HB    VAL   43  10.32 +/- 0.78   0.050% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  15.26 +/- 1.44   0.005% *  0.1168% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43  12.77 +/- 2.15   0.014% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  14.34 +/- 1.02   0.006% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  12.68 +/- 0.80   0.016% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  15.54 +/- 0.69   0.004% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  20.58 +/- 2.41   0.000% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  22.27 +/- 2.18   0.000% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  26.44 +/- 2.19   0.000% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.07 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  11.56 +/- 2.20 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.47 A violated in 20 structures by 8.09 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 1.01, residual support = 19.8:
          HD1   TRP   87 - QG2   ILE   89   3.91 +/- 0.17  99.893% * 94.0643% (0.95   1.01  19.79) =  99.999%  kept
          HN    TRP   27 - QG2   ILE   89  13.20 +/- 1.22   0.086% *  0.6725% (0.34   0.02   0.02) =   0.001%
          HN    LYS+ 102 - QG2   ILE   89  18.48 +/- 2.12   0.011% *  1.5786% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE   89  20.86 +/- 1.72   0.005% *  1.8198% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE   89  21.35 +/- 1.70   0.005% *  1.8649% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.28, residual support = 40.6:
          HN    GLN   90 - QG2   ILE   89   3.15 +/- 0.81  99.491% * 99.1928% (0.61   7.28  40.58) =  99.998%  kept
          HN    SER   82 - QG2   ILE   89   8.65 +/- 0.49   0.475% *  0.4146% (0.92   0.02   0.02) =   0.002%
          HN    ILE  103 - QG2   ILE   89  16.10 +/- 2.24   0.015% *  0.1847% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  16.29 +/- 2.31   0.017% *  0.0693% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  20.56 +/- 1.79   0.002% *  0.1386% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 5.27:
        T HB2   PHE   45 - QG2   ILE   89   4.52 +/- 1.78  98.417% * 99.5807% (0.97 10.00   0.75   5.27) =  99.997%  kept
          QE    LYS+ 111 - QG2   ILE   89  12.40 +/- 1.96   0.725% *  0.2745% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - QG2   ILE   89  11.94 +/- 1.48   0.858% *  0.1448% (0.53  1.00   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 5 structures by 0.84 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.242, support = 5.02, residual support = 34.4:
          QG    GLN   90 - QG2   ILE   89   4.35 +/- 0.56  49.832% * 78.1152% (0.15   5.88  40.58) =  84.701%  kept
          HG2   MET   92 - QG2   ILE   89   5.53 +/- 2.38  47.306% * 14.8276% (0.73   0.24   0.02) =  15.263%  kept
          HB2   GLU-  79 - QG2   ILE   89   9.29 +/- 1.06   0.721% *  0.9750% (0.57   0.02   0.02) =   0.015%
          HG2   PRO   52 - QG2   ILE   89   8.27 +/- 2.09   1.639% *  0.3834% (0.22   0.02   0.02) =   0.014%
          HB2   ASP-  44 - QG2   ILE   89   9.66 +/- 1.59   0.338% *  0.4788% (0.28   0.02   0.02) =   0.004%
          QG    GLU- 114 - QG2   ILE   89  11.52 +/- 2.32   0.129% *  1.1141% (0.65   0.02   0.02) =   0.003%
          HB3   PHE   72 - QG2   ILE   89  14.48 +/- 1.45   0.025% *  0.3408% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE   89  19.32 +/- 1.92   0.005% *  0.6464% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  23.66 +/- 1.62   0.001% *  1.2506% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  20.68 +/- 2.06   0.004% *  0.4294% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  27.53 +/- 2.95   0.001% *  1.4385% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.49, support = 0.747, residual support = 5.24:
        T HB3   PHE   45 - QG2   ILE   89   3.97 +/- 1.53  93.041% * 90.7544% (0.49 10.00   0.75   5.27) =  99.426%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.87 +/- 0.84   6.227% *  7.8104% (1.00  1.00   0.31   0.02) =   0.573%  kept
          HG3   MET   96 - QG2   ILE   89  10.81 +/- 2.29   0.296% *  0.1696% (0.34  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 112 - QG2   ILE   89  13.40 +/- 1.87   0.121% *  0.2420% (0.49  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QG2   ILE   89  11.12 +/- 2.05   0.284% *  0.0767% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QG2   ILE   89  16.34 +/- 1.47   0.019% *  0.3800% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QG2   ILE   89  18.00 +/- 1.16   0.009% *  0.4798% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QG2   ILE   89  23.05 +/- 1.90   0.002% *  0.0871% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 1 structures by 0.20 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.457, support = 2.37, residual support = 11.5:
          QB    ALA   84 - QG2   ILE   89   3.58 +/- 0.38  87.148% * 27.9726% (0.49   1.81  12.23) =  82.866%  kept
          QB    ALA   88 - QG2   ILE   89   5.38 +/- 0.18   9.161% * 51.9265% (0.31   5.31   8.27) =  16.170%  kept
          HB3   PRO   93 - QG2   ILE   89   7.41 +/- 1.37   1.774% * 15.3451% (0.45   1.08   0.02) =   0.925%  kept
          HB3   LEU   80 - QG2   ILE   89   7.62 +/- 1.04   1.272% *  0.6281% (0.99   0.02   0.02) =   0.027%
          HB3   ASP-  44 - QG2   ILE   89   8.98 +/- 1.47   0.471% *  0.5497% (0.87   0.02   0.02) =   0.009%
          HG2   LYS+ 111 - QG2   ILE   89  13.20 +/- 2.67   0.082% *  0.6116% (0.97   0.02   0.02) =   0.002%
          HB2   LEU   63 - QG2   ILE   89  14.64 +/- 1.98   0.027% *  0.5995% (0.95   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   ILE   89  13.77 +/- 2.46   0.041% *  0.3844% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   31 - QG2   ILE   89  15.44 +/- 1.77   0.017% *  0.6281% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  20.32 +/- 1.91   0.003% *  0.4843% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  20.90 +/- 1.57   0.003% *  0.4602% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  23.56 +/- 1.69   0.001% *  0.4100% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.78, residual support = 217.3:
      O T HG13  ILE   89 - QG2   ILE   89   2.28 +/- 0.21 100.000% *100.0000% (0.98  10.0 10.00   5.78 217.33) = 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 = 6.4, residual support = 217.2:
        T QD1   ILE   89 - QG2   ILE   89   2.48 +/- 0.58  94.544% * 99.2348% (0.92 10.00   6.40 217.33) =  99.957%  kept
        T QG2   VAL   83 - QG2   ILE   89   5.21 +/- 1.00   5.434% *  0.7384% (0.69 10.00   0.02   0.02) =   0.043%
          QD2   LEU   31 - QG2   ILE   89  11.37 +/- 1.42   0.023% *  0.0268% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.62, residual support = 217.3:
      O T QD1   ILE   89 - HG12  ILE   89   2.15 +/- 0.01  99.009% * 99.4549% (0.92  10.0 10.00   5.62 217.33) =  99.999%  kept
          QG2   VAL   83 - HG12  ILE   89   6.24 +/- 1.52   0.981% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   ILE   89 - HG3   LYS+  99  19.19 +/- 2.09   0.000% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  10.69 +/- 0.98   0.008% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  14.23 +/- 2.15   0.002% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  18.70 +/- 2.78   0.000% *  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 = 217.3:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.5961% (0.98  10.0 10.00   5.16 217.33) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  23.54 +/- 2.41   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 = 217.3:
      O T QD1   ILE   89 - HG13  ILE   89   2.15 +/- 0.01  98.002% * 99.8079% (0.90  10.0 10.00   5.27 217.33) =  99.998%  kept
          QG2   VAL   83 - HG13  ILE   89   6.14 +/- 1.49   1.995% *  0.1113% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - HG13  ILE   89  13.50 +/- 2.14   0.003% *  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 = 5.78, residual support = 217.3:
      O T QG2   ILE   89 - HG13  ILE   89   2.28 +/- 0.21  99.790% * 99.9734% (0.84  10.0 10.00   5.78 217.33) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   7.91 +/- 1.58   0.210% *  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 = 217.3:
      O T HB    ILE   89 - HG13  ILE   89   2.59 +/- 0.20  99.896% * 98.8208% (0.49  10.0 10.00   4.97 217.33) = 100.000%  kept
        T HB    VAL   43 - HG13  ILE   89  11.26 +/- 2.19   0.027% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG13  ILE   89   9.72 +/- 2.03   0.076% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  21.76 +/- 2.68   0.000% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  22.17 +/- 3.11   0.000% *  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 = 5.53, residual support = 217.3:
          HN    ILE   89 - HG13  ILE   89   3.83 +/- 0.35  99.938% * 98.7817% (0.76   5.53 217.33) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  15.19 +/- 2.30   0.044% *  0.4191% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  19.38 +/- 3.10   0.012% *  0.4421% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  21.97 +/- 2.65   0.004% *  0.0925% (0.20   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  25.92 +/- 2.51   0.001% *  0.2646% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.78, residual support = 217.3:
          HN    ILE   89 - HG12  ILE   89   2.72 +/- 0.68  99.875% * 98.2331% (0.76   5.78 217.33) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99  10.48 +/- 1.08   0.094% *  0.1021% (0.23   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  16.38 +/- 2.11   0.004% *  0.3987% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  20.45 +/- 2.97   0.003% *  0.4206% (0.95   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  15.91 +/- 2.13   0.006% *  0.1706% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  13.48 +/- 0.95   0.016% *  0.0357% (0.08   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  20.02 +/- 1.10   0.001% *  0.1617% (0.36   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  25.06 +/- 2.27   0.000% *  0.1378% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  26.84 +/- 2.62   0.000% *  0.2517% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  22.83 +/- 2.70   0.001% *  0.0880% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2980 (-0.07, 0.09, 50.60 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 217.3:
      O T HG13  ILE   89 - QD1   ILE   89   2.15 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   5.27 217.33) = 100.000%  kept
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.4, residual support = 217.3:
        T QG2   ILE   89 - QD1   ILE   89   2.48 +/- 0.58  99.441% * 99.7342% (0.84 10.00   6.40 217.33) =  99.999%  kept
        T QG1   VAL   83 - QD1   ILE   89   6.82 +/- 1.08   0.559% *  0.2658% (0.22 10.00   0.02   0.02) =   0.001%
    Distance limit 2.93 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2982 (1.22, 0.09, 50.60 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.62, residual support = 217.3:
      O T HG12  ILE   89 - QD1   ILE   89   2.15 +/- 0.01  99.978% * 99.2664% (1.00  10.0 10.00   5.62 217.33) = 100.000%  kept
          HG2   LYS+  74 - QD1   ILE   89  11.60 +/- 2.21   0.012% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   89  13.16 +/- 3.22   0.005% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  19.19 +/- 2.09   0.000% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  16.01 +/- 2.50   0.004% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  17.68 +/- 2.18   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  17.33 +/- 2.00   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  17.91 +/- 2.13   0.000% *  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, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.31, residual support = 217.3:
      O T HB    ILE   89 - QD1   ILE   89   2.74 +/- 0.47  99.258% * 98.8208% (0.49  10.0 10.00   5.31 217.33) =  99.995%  kept
        T HB    VAL   43 - QD1   ILE   89   9.22 +/- 2.03   0.443% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          QD    LYS+  81 - QD1   ILE   89   8.89 +/- 1.56   0.294% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  17.67 +/- 2.22   0.003% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  18.00 +/- 2.49   0.002% *  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, 50.60 ppm):
    6 chemical-shift based assignments, quality = 0.532, support = 0.0199, residual support = 0.0199:
        T HB3   MET   96 - QD1   ILE   89   8.67 +/- 2.15  82.230% * 63.9859% (0.53 10.00   0.02   0.02) =  96.828%  kept
          HB3   ARG+  54 - QD1   ILE   89  13.54 +/- 1.82  13.116% * 10.5495% (0.87  1.00   0.02   0.02) =   2.546%  kept
          HB    VAL   18 - QD1   ILE   89  16.26 +/- 1.86   2.642% *  7.3765% (0.61  1.00   0.02   0.02) =   0.359%
          HB2   LEU   40 - QD1   ILE   89  18.19 +/- 2.08   0.947% * 10.9071% (0.90  1.00   0.02   0.02) =   0.190%
          HB2   LEU   67 - QD1   ILE   89  18.88 +/- 1.95   0.846% *  4.1485% (0.34  1.00   0.02   0.02) =   0.065%
          HB3   GLU-  14 - QD1   ILE   89  24.16 +/- 2.73   0.220% *  3.0326% (0.25  1.00   0.02   0.02) =   0.012%
    Distance limit 3.49 A violated in 20 structures by 4.71 A, eliminated.
    Peak unassigned.
 
    Peak 2985 (2.49, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.75, residual support = 19.8:
        T HB3   TRP   87 - QD1   ILE   89   2.17 +/- 0.65  99.980% * 99.8369% (0.76 10.00   3.75  19.79) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89   9.78 +/- 2.72   0.019% *  0.0177% (0.14  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  18.44 +/- 1.79   0.001% *  0.1091% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  22.76 +/- 2.51   0.000% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2986 (3.90, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.481, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  13.73 +/- 1.37  49.632% * 62.4025% (0.57   0.02   0.02) =  62.056%  kept
          HB    THR  118 - QD1   ILE   89  13.79 +/- 2.08  50.368% * 37.5975% (0.34   0.02   0.02) =  37.944%  kept
    Distance limit 2.88 A violated in 20 structures by 9.25 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 0.722, residual support = 5.27:
          QD    PHE   45 - QD1   ILE   89   4.74 +/- 1.81  99.699% * 87.5037% (0.45   0.72   5.27) =  99.983%  kept
          HD2   HIS  122 - QD1   ILE   89  16.29 +/- 2.01   0.185% *  5.3561% (0.99   0.02   0.02) =   0.011%
          HE22  GLN  116 - QD1   ILE   89  19.31 +/- 1.69   0.087% *  5.2969% (0.98   0.02   0.02) =   0.005%
          HE22  GLN   17 - QD1   ILE   89  22.27 +/- 2.40   0.029% *  1.8433% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 10 structures by 1.24 A, kept.
 
    Peak 2988 (7.69, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.91, support = 2.39, residual support = 19.8:
          HN    TRP   87 - QD1   ILE   89   4.06 +/- 0.44  73.859% * 79.0300% (0.97   2.42  19.79) =  91.913%  kept
          HE3   TRP   87 - QD1   ILE   89   5.07 +/- 0.73  26.130% * 19.6534% (0.28   2.09  19.79) =   8.087%  kept
          HN    GLN   17 - QD1   ILE   89  20.42 +/- 2.06   0.006% *  0.6766% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  21.80 +/- 2.58   0.004% *  0.6400% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2989 (7.92, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.9, residual support = 217.3:
          HN    ILE   89 - QD1   ILE   89   2.54 +/- 0.57  99.975% * 98.8576% (0.76   5.90 217.33) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  13.34 +/- 2.18   0.018% *  0.3930% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  16.04 +/- 1.95   0.004% *  0.4145% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  21.53 +/- 2.35   0.001% *  0.2481% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  18.36 +/- 2.47   0.002% *  0.0867% (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 = 6.03, residual support = 95.5:
          HN    GLN   90 - QG    GLN   90   2.00 +/- 0.18  99.997% * 99.2728% (0.69   6.03  95.54) = 100.000%  kept
          HN    GLY  109 - QG    GLN   90  12.10 +/- 1.37   0.003% *  0.3294% (0.69   0.02   0.02) =   0.000%
          HN    ILE  103 - QG    GLN   90  20.98 +/- 1.95   0.000% *  0.3978% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 95.5:
      O   HN    GLN   90 - HB3   GLN   90   3.36 +/- 0.43  99.836% * 99.8365% (0.83  10.0   5.59  95.54) = 100.000%  kept
          HN    SER   82 - HB3   GLN   90  11.52 +/- 1.96   0.123% *  0.0452% (0.37   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLN   90  13.06 +/- 1.49   0.040% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  24.10 +/- 1.73   0.001% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.83, residual support = 53.6:
      O   HN    GLU-  79 - HB3   GLU-  79   2.81 +/- 0.50  99.626% * 98.3257% (0.16  10.0   3.83  53.61) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   8.61 +/- 1.34   0.216% *  0.3734% (0.61   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HB3   GLU-  79  10.57 +/- 0.54   0.062% *  0.2703% (0.44   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB2   GLN   90  11.54 +/- 0.50   0.033% *  0.3357% (0.55   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB2   GLN   90  11.36 +/- 1.58   0.048% *  0.1359% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB3   GLU-  79  13.50 +/- 1.39   0.012% *  0.2429% (0.40   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.19 +/- 1.71   0.004% *  0.1327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  25.76 +/- 2.00   0.000% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.14, residual support = 53.6:
      O T HA    GLU-  79 - HB3   GLU-  79   2.83 +/- 0.21  97.198% * 97.1719% (0.57  10.0 10.00   4.14  53.61) =  99.997%  kept
          HB    THR   77 - HB2   GLN   90   6.58 +/- 1.68   2.079% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - HB2   GLN   90   7.57 +/- 0.96   0.379% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   7.89 +/- 0.50   0.256% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  13.05 +/- 1.68   0.015% *  1.3427% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  12.10 +/- 1.96   0.032% *  0.1188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.94 +/- 1.20   0.015% *  0.0720% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  12.99 +/- 0.52   0.012% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  15.03 +/- 0.93   0.005% *  0.0995% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.51 +/- 1.72   0.004% *  0.0561% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.76 +/- 2.03   0.002% *  0.0860% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  17.26 +/- 1.23   0.002% *  0.0776% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  22.31 +/- 1.58   0.000% *  0.0889% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  23.46 +/- 1.43   0.000% *  0.1229% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.09 +/- 1.23   0.000% *  0.0938% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  30.09 +/- 4.00   0.000% *  0.0681% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  30.55 +/- 1.18   0.000% *  0.1296% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  41.62 +/- 3.90   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 = 0.617, support = 0.594, residual support = 0.589:
          QB    ALA   88 - QG    GLN   90   3.75 +/- 0.47  90.219% * 91.3290% (0.62   0.60   0.59) =  99.486%  kept
          QG2   THR   77 - QG    GLN   90   6.15 +/- 1.12   9.735% *  4.3677% (0.88   0.02   0.02) =   0.513%  kept
          QG2   THR   23 - QG    GLN   90  14.05 +/- 1.51   0.045% *  1.6723% (0.34   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QG    GLN   90  26.28 +/- 1.49   0.001% *  1.1111% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  29.55 +/- 1.65   0.000% *  1.5199% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.32 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 = 0.3, support = 0.0198, residual support = 0.0198:
          QG    LYS+  81 - QG    GLN   90   7.52 +/- 1.56  94.197% *  3.4351% (0.18   0.02   0.02) =  80.931%  kept
          HD3   LYS+  74 - QG    GLN   90  15.33 +/- 1.45   2.476% * 17.3194% (0.89   0.02   0.02) =  10.727%  kept
          HB3   LYS+ 111 - QG    GLN   90  16.93 +/- 1.51   1.214% * 17.3580% (0.90   0.02   0.02) =   5.270%  kept
          HG2   LYS+ 106 - QG    GLN   90  16.47 +/- 1.71   1.202% *  2.6782% (0.14   0.02   0.02) =   0.805%  kept
          HB3   LYS+ 121 - QG    GLN   90  23.46 +/- 1.72   0.172% * 17.0143% (0.88   0.02   0.02) =   0.734%  kept
          HG    LEU  104 - QG    GLN   90  23.39 +/- 1.63   0.149% * 17.0143% (0.88   0.02   0.02) =   0.634%  kept
          QD    LYS+  66 - QG    GLN   90  24.07 +/- 1.07   0.153% *  9.8273% (0.51   0.02   0.02) =   0.377%
          HG2   LYS+  33 - QG    GLN   90  24.82 +/- 1.92   0.112% *  8.4490% (0.44   0.02   0.02) =   0.237%
          HD2   LYS+ 121 - QG    GLN   90  23.18 +/- 2.01   0.192% *  3.8645% (0.20   0.02   0.02) =   0.186%
          HG2   LYS+  65 - QG    GLN   90  24.44 +/- 1.36   0.132% *  3.0399% (0.16   0.02   0.02) =   0.101%
    Distance limit 3.65 A violated in 20 structures by 3.79 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 64.0:
      O   HG3   MET   92 - HB2   MET   92   2.73 +/- 0.29  99.530% * 96.5136% (0.73  10.0  1.00   2.96  63.97) =  99.995%  kept
        T QG    GLN   90 - HB2   MET   92   7.74 +/- 1.56   0.441% *  1.0643% (0.80   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   ASP- 105 - HB2   MET   92  16.13 +/- 0.85   0.003% *  0.4534% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   MET   92  12.49 +/- 0.79   0.012% *  0.0806% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  15.58 +/- 0.95   0.003% *  0.1326% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  14.09 +/- 2.12   0.009% *  0.0233% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  24.42 +/- 1.50   0.000% *  0.6469% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  26.62 +/- 1.92   0.000% *  0.8598% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  18.37 +/- 0.94   0.001% *  0.0965% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  24.40 +/- 1.35   0.000% *  0.1110% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.35 +/- 1.15   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 = 3.94, residual support = 64.0:
      O   HN    MET   92 - HB2   MET   92   2.60 +/- 0.46  99.862% * 99.7272% (0.92  10.0   3.94  63.97) = 100.000%  kept
          HN    THR   46 - HB2   MET   92   9.18 +/- 1.07   0.114% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  12.26 +/- 1.71   0.021% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  16.57 +/- 1.06   0.003% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  40.45 +/- 3.29   0.000% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 64.0:
      O T HA    MET   92 - HB2   MET   92   2.98 +/- 0.15  99.998% * 99.8006% (0.61  10.0 10.00   3.87  63.97) = 100.000%  kept
          HA    HIS  122 - HB2   MET   92  22.08 +/- 1.60   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB2   MET   92  19.86 +/- 0.82   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 = 3.27, residual support = 64.0:
      O   HG3   MET   92 - HB3   MET   92   2.55 +/- 0.18  99.862% * 99.2141% (0.73  10.0   3.27  63.97) = 100.000%  kept
          QG    GLN   90 - HB3   MET   92   8.68 +/- 1.29   0.116% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   MET   92  12.08 +/- 0.73   0.010% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  14.54 +/- 1.04   0.004% *  0.1363% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.48 +/- 0.97   0.002% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  14.41 +/- 1.64   0.004% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  17.88 +/- 0.76   0.001% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  24.74 +/- 0.67   0.000% *  0.1141% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  24.02 +/- 1.44   0.000% *  0.0665% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  26.33 +/- 1.87   0.000% *  0.0884% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  27.21 +/- 0.72   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 = 4.2, residual support = 64.0:
      O T HA    MET   92 - HB3   MET   92   2.69 +/- 0.19  99.999% * 99.8006% (0.61  10.0 10.00   4.20  63.97) = 100.000%  kept
          HA    HIS  122 - HB3   MET   92  21.30 +/- 1.62   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  19.68 +/- 0.62   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 = 64.0:
      O T HA    MET   92 - HG2   MET   92   2.75 +/- 0.35  99.999% * 99.8006% (0.61  10.0 10.00   2.49  63.97) = 100.000%  kept
          HA    HIS  122 - HG2   MET   92  23.86 +/- 1.93   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  21.73 +/- 0.73   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 = 0.316, support = 0.02, residual support = 2.76:
          HB2   SER   37 - QG2   THR   39   3.46 +/- 0.33  96.322% * 10.7941% (0.30   0.02   2.97) =  92.920%  kept
          HA1   GLY   16 - QG2   THR   39   7.80 +/- 1.52   3.559% * 21.7367% (0.60   0.02   0.02) =   6.913%  kept
          HA    LYS+  66 - QG2   THR   39  11.17 +/- 0.90   0.104% * 16.6488% (0.46   0.02   0.02) =   0.154%
          HA1   GLY   16 - QG2   THR   23  18.24 +/- 0.68   0.005% * 12.1974% (0.33   0.02   0.02) =   0.006%
          HB2   SER   37 - QG2   THR   23  18.43 +/- 0.97   0.005% *  6.0571% (0.17   0.02   0.02) =   0.003%
          HA1   GLY   16 - QB    ALA   91  22.33 +/- 0.83   0.002% * 10.2645% (0.28   0.02   0.02) =   0.001%
          HA    LYS+  66 - QG2   THR   23  22.46 +/- 0.85   0.001% *  9.3424% (0.26   0.02   0.02) =   0.001%
          HA    LYS+  66 - QB    ALA   91  22.10 +/- 0.86   0.002% *  7.8619% (0.22   0.02   0.02) =   0.001%
          HB2   SER   37 - QB    ALA   91  24.90 +/- 1.16   0.001% *  5.0972% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.17 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 = 4.28, residual support = 64.0:
      O   HN    MET   92 - HB3   MET   92   3.58 +/- 0.33  99.473% * 99.8535% (0.92  10.0   4.28  63.97) = 100.000%  kept
          HN    THR   46 - HB3   MET   92   9.24 +/- 0.70   0.446% *  0.0827% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   MET   92  12.69 +/- 1.51   0.069% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  16.47 +/- 0.59   0.012% *  0.0369% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.731, support = 0.0199, residual support = 0.0199:
          HA    THR   46 - HB3   MET   92   7.38 +/- 0.95  64.310% * 16.4223% (0.80   0.02   0.02) =  86.916%  kept
          HA    GLN   90 - HB3   MET   92   8.56 +/- 0.44  27.931% *  3.5917% (0.18   0.02   0.02) =   8.256%  kept
          HA    PHE   55 - HB3   MET   92  11.58 +/- 1.13   5.876% *  6.3300% (0.31   0.02   0.02) =   3.061%  kept
          HA    VAL   42 - HB3   MET   92  15.70 +/- 0.65   0.807% * 18.3930% (0.90   0.02   0.02) =   1.222%  kept
          HA    PRO   58 - HB3   MET   92  15.40 +/- 0.69   0.832% *  5.1139% (0.25   0.02   0.02) =   0.350%
          HA    GLN   17 - HB3   MET   92  22.46 +/- 0.96   0.087% * 17.7900% (0.87   0.02   0.02) =   0.128%
          HA    LEU   40 - HB3   MET   92  22.22 +/- 0.75   0.098% *  3.1644% (0.15   0.02   0.02) =   0.026%
          HA    SER   37 - HB3   MET   92  30.52 +/- 0.75   0.014% * 17.7900% (0.87   0.02   0.02) =   0.021%
          HA    GLU-  15 - HB3   MET   92  26.29 +/- 1.01   0.034% *  5.7022% (0.28   0.02   0.02) =   0.016%
          HA    SER   13 - HB3   MET   92  32.93 +/- 1.50   0.009% *  5.7022% (0.28   0.02   0.02) =   0.004%
    Distance limit 4.12 A violated in 20 structures by 2.68 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 64.0:
      O T HA    MET   92 - HG3   MET   92   3.12 +/- 0.64  99.987% * 99.9198% (0.99  10.0 10.00   3.97  63.97) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  15.10 +/- 0.74   0.012% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  23.22 +/- 1.72   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 = 4.04, residual support = 64.0:
          HN    MET   92 - HG3   MET   92   4.15 +/- 0.51  99.233% * 99.2793% (0.92   4.04  63.97) =  99.997%  kept
          HN    THR   46 - HG3   MET   92  10.33 +/- 1.02   0.570% *  0.4066% (0.76   0.02   0.02) =   0.002%
          HN    ASP- 113 - HG3   MET   92  13.56 +/- 2.22   0.179% *  0.1327% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  17.87 +/- 0.77   0.019% *  0.1815% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.408, support = 0.0199, residual support = 0.0199:
          QD    PHE   45 - HB2   PRO   93   7.27 +/- 0.58  92.674% * 67.4545% (0.41   0.02   0.02) =  98.969%  kept
          HN    LYS+  65 - HB2   PRO   93  14.86 +/- 0.95   1.458% * 25.3164% (0.15   0.02   0.02) =   0.584%  kept
          QD    PHE   45 - HG3   GLN   30  12.41 +/- 1.07   5.063% *  5.2564% (0.03   0.02   0.02) =   0.421%
          HN    LYS+  65 - HG3   GLN   30  16.70 +/- 1.51   0.805% *  1.9728% (0.01   0.02   0.02) =   0.025%
    Distance limit 4.22 A violated in 20 structures by 3.03 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 = 15.7:
      O   HN    THR   94 - HB2   PRO   93   3.92 +/- 0.12  99.828% * 99.8806% (1.00  10.0   4.39  15.72) = 100.000%  kept
          HN    GLU-  79 - HB2   PRO   93  13.60 +/- 2.04   0.095% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   PRO   93  15.69 +/- 0.89   0.026% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  15.54 +/- 1.48   0.029% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  17.40 +/- 1.26   0.014% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  19.74 +/- 2.79   0.008% *  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 = 0.409, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   8.73 +/- 0.54  97.412% * 72.7108% (0.41   0.02   0.02) =  99.013%  kept
          HN    LYS+  65 - HG2   PRO   93  16.41 +/- 1.11   2.588% * 27.2892% (0.15   0.02   0.02) =   0.987%  kept
    Distance limit 4.06 A violated in 20 structures by 4.63 A, eliminated.
    Peak unassigned.
 
    Peak 3010 (2.05, 1.68, 24.81 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 5.3, residual support = 132.2:
      O   HB2   PRO   93 - HG3   PRO   93   2.54 +/- 0.27  99.796% * 98.6893% (0.84  10.0  1.00   5.30 132.20) = 100.000%  kept
          HB    VAL  108 - HG3   PRO   93   9.30 +/- 1.29   0.099% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG3   PRO   93   8.33 +/- 0.90   0.098% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  14.03 +/- 1.57   0.007% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  22.04 +/- 1.39   0.000% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  20.80 +/- 0.98   0.000% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.88 +/- 0.75   0.000% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  23.36 +/- 1.17   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  36.85 +/- 2.66   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 = 132.2:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  96.882% * 96.9677% (0.99  10.0 10.00   3.97 132.20) =  99.999%  kept
          HB3   PRO   52 - HG3   PRO   93   4.69 +/- 2.18   3.117% *  0.0367% (0.38   1.0  1.00   0.02   0.70) =   0.001%
        T QB    LYS+  65 - HG3   PRO   93  16.05 +/- 0.95   0.000% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  19.05 +/- 0.76   0.000% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  21.26 +/- 0.76   0.000% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  19.28 +/- 1.68   0.000% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  16.25 +/- 1.21   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.41 +/- 1.00   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  19.84 +/- 0.83   0.000% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  21.31 +/- 1.52   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 = 132.2:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  99.415% * 97.0769% (0.95  10.0 10.00   3.97 132.20) =  99.999%  kept
          HB3   MET   92 - HG2   PRO   93   4.18 +/- 0.26   0.575% *  0.0947% (0.92   1.0  1.00   0.02   1.56) =   0.001%
        T HD2   LYS+ 111 - HG2   PRO   93   9.76 +/- 1.35   0.006% *  1.0059% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  11.16 +/- 0.95   0.002% *  0.0622% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  16.94 +/- 1.72   0.000% *  0.2285% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  21.35 +/- 1.94   0.000% *  0.8217% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  16.57 +/- 1.01   0.000% *  0.0822% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  15.82 +/- 2.59   0.001% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  19.42 +/- 1.66   0.000% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  16.26 +/- 1.73   0.000% *  0.0285% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  26.34 +/- 0.72   0.000% *  0.4219% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.80 +/- 0.60   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 = 132.2:
      O   HD3   PRO   93 - HG3   PRO   93   2.48 +/- 0.27  78.694% * 99.5358% (0.97  10.0   3.97 132.20) =  99.976%  kept
          HB3   CYS   53 - HG3   PRO   93   4.22 +/- 1.77  18.726% *  0.0861% (0.84   1.0   0.02   0.02) =   0.021%
          QB    PHE   55 - HG3   PRO   93   5.38 +/- 1.35   2.491% *  0.1029% (1.00   1.0   0.02   0.02) =   0.003%
          HB2   PHE   59 - HG3   PRO   93   8.52 +/- 0.95   0.069% *  0.0952% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93   9.85 +/- 1.09   0.021% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  21.09 +/- 1.27   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 = 132.2:
      O   HD2   PRO   93 - HG3   PRO   93   2.70 +/- 0.26  99.984% * 99.4436% (0.25  10.0   3.97 132.20) = 100.000%  kept
          HA    THR   77 - HG3   PRO   93  12.29 +/- 1.44   0.015% *  0.3681% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   PRO   93  19.06 +/- 0.95   0.001% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  21.79 +/- 1.13   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  16.41 +/- 1.02 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.10 A violated in 20 structures by 12.31 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.709, support = 2.88, residual support = 6.33:
          HN    ALA  110 - HD2   PRO   93   5.24 +/- 1.75  85.254% * 83.6217% (0.71   2.95   6.53) =  97.000%  kept
          HN    PHE   45 - HD2   PRO   93   8.09 +/- 0.40  13.612% * 16.1879% (0.61   0.67   0.02) =   2.998%  kept
          HN    ASP-  44 - HD2   PRO   93  12.24 +/- 0.42   1.107% *  0.0892% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  25 - HD2   PRO   93  22.09 +/- 1.34   0.027% *  0.1012% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 9 structures by 1.01 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.382, support = 0.967, residual support = 0.956:
          HA1   GLY  109 - HD2   PRO   93   6.21 +/- 1.54  70.152% * 88.8671% (0.38   0.98   0.96) =  99.182%  kept
          HA    CYS   50 - HD2   PRO   93   7.66 +/- 2.01  27.963% *  1.6860% (0.35   0.02   0.02) =   0.750%  kept
          HA    TRP   49 - HD2   PRO   93  11.63 +/- 1.78   1.560% *  2.3794% (0.50   0.02   0.02) =   0.059%
          HA    CYS   21 - HD2   PRO   93  19.54 +/- 0.93   0.101% *  3.0047% (0.63   0.02   0.02) =   0.005%
          HA    LYS+ 102 - HD2   PRO   93  22.32 +/- 0.95   0.052% *  3.4562% (0.72   0.02   0.02) =   0.003%
          HA    ALA   20 - HD2   PRO   93  17.71 +/- 1.19   0.172% *  0.6066% (0.13   0.02   0.02) =   0.002%
    Distance limit 4.12 A violated in 12 structures by 1.31 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.687, support = 2.31, residual support = 6.52:
          QB    ALA  110 - HD2   PRO   93   4.20 +/- 2.03  85.483% * 93.8260% (0.69   2.31   6.53) =  99.961%  kept
          HB3   LEU  115 - HD2   PRO   93   9.58 +/- 1.81  12.709% *  0.1505% (0.13   0.02   0.02) =   0.024%
          QB    ALA   61 - HD2   PRO   93  12.82 +/- 0.70   0.929% *  0.8572% (0.72   0.02   0.02) =   0.010%
          HG    LEU   80 - HD2   PRO   93  16.57 +/- 2.12   0.144% *  0.8291% (0.70   0.02   0.02) =   0.001%
          HB2   LEU   80 - HD2   PRO   93  15.47 +/- 1.99   0.170% *  0.4182% (0.35   0.02   0.02) =   0.001%
          QG    LYS+  66 - HD2   PRO   93  18.19 +/- 1.49   0.083% *  0.6879% (0.58   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HD2   PRO   93  15.14 +/- 1.28   0.186% *  0.2652% (0.22   0.02   0.02) =   0.001%
          HG    LEU   73 - HD2   PRO   93  17.80 +/- 0.60   0.079% *  0.5211% (0.44   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HD2   PRO   93  17.53 +/- 3.03   0.101% *  0.2931% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   PRO   93  21.26 +/- 1.08   0.038% *  0.7705% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   PRO   93  21.44 +/- 1.58   0.015% *  0.8127% (0.69   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  19.72 +/- 0.96   0.051% *  0.1505% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   PRO   93  24.24 +/- 2.00   0.011% *  0.4182% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 5 structures by 0.96 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.657, support = 1.18, residual support = 8.28:
          QB    ALA  110 - HD3   PRO   93   4.58 +/- 2.38  57.525% * 57.1565% (0.78   0.75   6.53) =  82.740%  kept
          HB3   LEU   67 - HD3   PRO   68   4.47 +/- 0.27  24.449% * 26.0765% (0.08   3.43  17.95) =  16.043%  kept
          QG    LYS+  66 - HD3   PRO   68   5.28 +/- 0.95  17.502% *  2.7484% (0.05   0.57   0.02) =   1.210%  kept
          QB    ALA   61 - HD3   PRO   93  12.43 +/- 0.57   0.051% *  1.1367% (0.58   0.02   0.02) =   0.001%
          QB    ALA   61 - HD3   PRO   68  10.03 +/- 0.85   0.208% *  0.2023% (0.10   0.02   0.02) =   0.001%
          HB2   LEU   80 - HD3   PRO   93  15.18 +/- 1.69   0.021% *  1.6622% (0.85   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HD3   PRO   93  14.70 +/- 0.95   0.018% *  1.4070% (0.72   0.02   0.02) =   0.001%
          HG    LEU   80 - HD3   PRO   93  16.32 +/- 1.92   0.012% *  1.4677% (0.75   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   68  13.23 +/- 1.44   0.054% *  0.2887% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   93  18.37 +/- 2.79   0.009% *  1.4677% (0.75   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   68  14.31 +/- 2.34   0.051% *  0.2612% (0.13   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.84 +/- 0.42   0.006% *  0.9245% (0.47   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  14.22 +/- 1.11   0.025% *  0.1645% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  21.12 +/- 1.06   0.002% *  1.6220% (0.83   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  18.22 +/- 1.60   0.005% *  0.5423% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  16.71 +/- 1.25   0.010% *  0.2504% (0.13   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  17.82 +/- 0.59   0.006% *  0.3077% (0.16   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  14.06 +/- 1.18   0.028% *  0.0548% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  21.56 +/- 1.55   0.002% *  0.8553% (0.44   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  18.59 +/- 1.71   0.005% *  0.2713% (0.14   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  16.58 +/- 1.65   0.010% *  0.0869% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  25.22 +/- 2.15   0.001% *  0.2958% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  25.21 +/- 2.49   0.001% *  0.2612% (0.13   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  29.01 +/- 2.38   0.000% *  0.4885% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.45:
          QG2   ILE   89 - HB    THR   94   4.94 +/- 2.06 100.000% *100.0000% (0.28   2.00   5.45) = 100.000%  kept
    Distance limit 3.26 A violated in 8 structures by 1.73 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.769, support = 2.0, residual support = 5.44:
          QD1   ILE   89 - HB    THR   94   5.58 +/- 1.79  76.514% * 98.9959% (0.77   2.00   5.45) =  99.794%  kept
          QG2   VAL   83 - HB    THR   94   8.02 +/- 2.56  19.920% *  0.7366% (0.57   0.02   0.02) =   0.193%
          QD2   LEU   31 - HB    THR   94  11.16 +/- 1.00   3.565% *  0.2674% (0.21   0.02   0.02) =   0.013%
    Distance limit 3.59 A violated in 14 structures by 2.02 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.2:
        T HB2   PHE   45 - HB    THR   94   2.89 +/- 0.66  99.948% * 99.8423% (0.81 10.00   2.96  27.21) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  13.01 +/- 1.05   0.029% *  0.1032% (0.83  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  12.98 +/- 1.37   0.023% *  0.0544% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.08 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  12.71 +/- 0.75 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.92 A violated in 20 structures by 9.79 A, eliminated.
    Peak unassigned.
 
    Peak 3026 (8.03, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 3.08, residual support = 25.3:
      O   HN    THR   94 - HB    THR   94   2.69 +/- 0.19  99.960% * 99.8964% (0.83  10.0   3.08  25.30) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  12.34 +/- 1.45   0.016% *  0.0727% (0.61   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94  11.98 +/- 2.01   0.023% *  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 = 27.2:
          HN    PHE   45 - HB    THR   94   3.81 +/- 0.26  97.957% * 99.4994% (0.81   3.30  27.21) =  99.990%  kept
          HN    ALA  110 - HB    THR   94   8.48 +/- 1.95   2.043% *  0.5006% (0.67   0.02   0.02) =   0.010%
    Distance limit 4.13 A violated in 0 structures by 0.02 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   5.46 +/- 0.61 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.41 A violated in 19 structures by 2.05 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.2, residual support = 14.5:
          HN    PHE   95 - QG2   THR   94   2.58 +/- 0.28 100.000% *100.0000% (0.97   4.20  14.54) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.599, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HA    PHE   95  12.54 +/- 0.31  19.305% * 27.7167% (0.84   0.02   0.02) =  36.061%  kept
          HA    PHE   59 - HA    PHE   95  10.36 +/- 0.78  60.169% *  8.2742% (0.25   0.02   0.02) =  33.552%  kept
          HA    TRP   87 - HA    PHE   95  13.83 +/- 2.55  15.013% * 25.3593% (0.76   0.02   0.02) =  25.659%  kept
          HA    ASP-  86 - HA    PHE   95  16.50 +/- 2.39   4.618% * 12.4539% (0.38   0.02   0.02) =   3.876%  kept
          HA    GLU-  14 - HA    PHE   95  22.09 +/- 1.35   0.706% * 14.8769% (0.45   0.02   0.02) =   0.708%  kept
          HA    ALA   12 - HA    PHE   95  28.03 +/- 2.34   0.189% * 11.3190% (0.34   0.02   0.02) =   0.144%
    Distance limit 3.45 A violated in 20 structures by 6.02 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   2.53 +/- 0.39  99.982% * 99.8140% (0.87   3.44  73.52) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  11.04 +/- 0.66   0.018% *  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  99.994% * 99.9753% (0.80  10.0   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.33 +/- 0.39   0.006% *  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  73.52) = 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   2.39 +/- 0.12  99.994% * 99.9680% (0.87  10.0   3.00  73.52) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  12.39 +/- 0.75   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   2.59 +/- 0.18  99.990% * 99.9680% (0.87  10.0   3.31  73.52) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.41 +/- 0.80   0.010% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3037 (9.89, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.2, residual support = 73.5:
      O   HN    PHE   95 - HB3   PHE   95   3.50 +/- 0.32 100.000% *100.0000% (0.53  10.0   4.20  73.52) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.49 +/- 0.16 100.000% *100.0000% (0.53  10.0   3.86  73.52) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 1.73, residual support = 45.5:
          QG2   VAL  107 - HB3   PHE   95   4.34 +/- 0.51  94.308% * 95.9718% (0.84   1.73  45.55) =  99.962%  kept
          HG13  ILE  119 - HB3   PHE   95   8.13 +/- 1.26   3.780% *  0.5450% (0.41   0.02   0.02) =   0.023%
          HG13  ILE  103 - HB3   PHE   95   9.35 +/- 0.97   1.261% *  0.4975% (0.38   0.02   0.02) =   0.007%
          HG2   LYS+ 121 - HB3   PHE   95  11.72 +/- 1.27   0.430% *  1.2994% (0.98   0.02   0.02) =   0.006%
          QB    ALA   20 - HB3   PHE   95  13.73 +/- 0.73   0.132% *  1.1888% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   31 - HB3   PHE   95  14.68 +/- 0.99   0.088% *  0.4975% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 3 structures by 0.54 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.683, support = 0.912, residual support = 3.77:
          QD1   LEU   63 - HB3   PHE   95   4.35 +/- 1.36  73.948% * 36.3444% (0.57   0.91   2.40) =  64.597%  kept
          QD2   LEU  115 - HB3   PHE   95   6.65 +/- 2.38  25.003% * 58.8752% (0.90   0.93   6.26) =  35.382%  kept
          QD1   LEU  104 - HB3   PHE   95  10.16 +/- 0.92   0.280% *  1.4186% (1.00   0.02   0.02) =   0.010%
          QD1   LEU   73 - HB3   PHE   95   9.90 +/- 0.69   0.318% *  0.8032% (0.57   0.02   0.02) =   0.006%
          QD2   LEU   80 - HB3   PHE   95  13.35 +/- 1.86   0.060% *  1.3096% (0.92   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB3   PHE   95  13.73 +/- 2.70   0.069% *  1.0301% (0.73   0.02   0.02) =   0.002%
          QG2   ILE   89 - HB3   PHE   95  10.29 +/- 1.87   0.321% *  0.2189% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.62 A violated in 1 structures by 0.18 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 0.745, residual support = 1.43:
          QG1   VAL   42 - HB3   PHE   95   4.66 +/- 0.69  95.116% * 78.9328% (0.65   0.75   1.44) =  99.113%  kept
          QB    ALA   64 - HB3   PHE   95   8.64 +/- 1.30   3.707% * 17.5763% (0.53   0.21   0.02) =   0.860%  kept
          QB    ALA   47 - HB3   PHE   95  11.88 +/- 0.62   0.576% *  2.4866% (0.76   0.02   0.02) =   0.019%
          HG2   LYS+ 112 - HB3   PHE   95  12.89 +/- 2.53   0.601% *  1.0043% (0.31   0.02   0.02) =   0.008%
    Distance limit 3.63 A violated in 9 structures by 0.99 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.59, residual support = 45.5:
          QG2   VAL  107 - HB2   PHE   95   3.30 +/- 0.45  99.120% * 94.2629% (0.34   3.59  45.55) =  99.989%  kept
          HG13  ILE  119 - HB2   PHE   95   8.22 +/- 0.98   0.656% *  1.3796% (0.90   0.02   0.02) =   0.010%
          HG2   LYS+ 121 - HB2   PHE   95  11.55 +/- 1.39   0.100% *  0.8709% (0.57   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB2   PHE   95  12.36 +/- 2.13   0.072% *  0.4277% (0.28   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PHE   95  14.70 +/- 0.65   0.018% *  1.4200% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PHE   95  15.64 +/- 0.95   0.013% *  1.3344% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  15.56 +/- 2.30   0.021% *  0.3044% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 45.5:
        T HB    VAL  107 - HB2   PHE   95   2.45 +/- 0.61  99.863% * 99.6841% (0.80 10.00   4.31  45.55) = 100.000%  kept
          HB3   PHE   45 - HB2   PHE   95   9.20 +/- 0.74   0.091% *  0.0467% (0.38  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - HB2   PHE   95  10.83 +/- 2.22   0.041% *  0.0467% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  17.32 +/- 1.19   0.002% *  0.0855% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  19.58 +/- 0.75   0.001% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  18.30 +/- 0.82   0.001% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 1 structures by 0.08 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.92, support = 0.748, residual support = 5.43:
          QD1   ILE   89 - QG2   THR   94   4.63 +/- 2.11  82.439% * 97.3666% (0.92   0.75   5.45) =  99.668%  kept
          QG2   VAL   83 - QG2   THR   94   7.17 +/- 2.42  11.707% *  1.9321% (0.69   0.02   0.02) =   0.281%
          QD2   LEU   31 - QG2   THR   94   9.22 +/- 0.78   5.854% *  0.7014% (0.25   0.02   0.02) =   0.051%
    Distance limit 3.05 A violated in 7 structures by 1.60 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.09, residual support = 2.18:
        T HA    LYS+ 106 - HA    MET   96   3.17 +/- 0.79 100.000% *100.0000% (0.97 10.00   1.09   2.18) = 100.000%  kept
    Distance limit 3.27 A violated in 3 structures by 0.27 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 46.3:
      O   HN    PHE   97 - HA    MET   96   2.25 +/- 0.06  99.994% * 99.8692% (0.88  10.0   6.07  46.26) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  12.17 +/- 1.46   0.005% *  0.0999% (0.88   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  15.69 +/- 1.27   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   4.09 115.56) = 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 = 1.91, residual support = 9.29:
        T QE    PHE   45 - HB2   MET   96   4.83 +/- 1.51  94.047% * 98.2423% (0.49 10.00   1.91   9.29) =  99.966%  kept
        T HZ    PHE   72 - HB2   MET   96  11.90 +/- 1.30   1.552% *  1.6128% (0.76 10.00   0.02   0.02) =   0.027%
          QD    PHE   72 - HB2   MET   96   9.24 +/- 0.62   4.401% *  0.1450% (0.69  1.00   0.02   0.02) =   0.007%
    Distance limit 3.72 A violated in 9 structures by 1.31 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 46.3:
          HN    PHE   97 - HB2   MET   96   3.92 +/- 0.34  99.871% * 99.4519% (0.92   6.07  46.26) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  14.56 +/- 1.44   0.050% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  13.41 +/- 0.92   0.078% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  28.07 +/- 2.48   0.001% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.16 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   2.82 +/- 0.31 100.000% *100.0000% (0.65  10.0   4.07 115.56) = 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 = 0.62, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  12.64 +/- 1.63  19.365% * 81.6578% (0.99   0.02   0.02) =  51.671%  kept
          QD    PHE   72 - HB3   MET   96   9.80 +/- 0.77  80.635% * 18.3422% (0.22   0.02   0.02) =  48.329%  kept
    Distance limit 3.58 A violated in 20 structures by 5.87 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   2.58 +/- 0.22 100.000% *100.0000% (0.65  10.0   3.97 115.56) = 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   2.79 +/- 0.53  98.871% * 94.5898% (0.73   2.00  16.40) =  99.990%  kept
          QG1   VAL   41 - HB2   MET   96   6.74 +/- 0.58   0.761% *  0.6853% (0.53   0.02   0.02) =   0.006%
          QD2   LEU  104 - HB2   MET   96   8.97 +/- 1.00   0.204% *  1.0431% (0.80   0.02   0.02) =   0.002%
          QG2   THR   46 - HB2   MET   96  10.17 +/- 1.47   0.095% *  1.2768% (0.98   0.02   0.02) =   0.001%
          QG2   VAL   18 - HB2   MET   96  11.37 +/- 1.02   0.046% *  1.2025% (0.92   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB2   MET   96  12.03 +/- 0.98   0.022% *  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 = 0.891, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HB2   MET   96   6.87 +/- 0.70  65.017% * 36.4416% (0.92   0.02   0.02) =  68.095%  kept
          QG2   VAL   83 - HB2   MET   96   9.56 +/- 2.88  17.318% * 36.4416% (0.92   0.02   0.02) =  18.137%  kept
          QD1   ILE   89 - HB2   MET   96   9.55 +/- 2.20  17.666% * 27.1168% (0.69   0.02   0.02) =  13.768%  kept
    Distance limit 3.83 A violated in 20 structures by 2.50 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.673, support = 0.02, residual support = 0.02:
        T QD1   ILE   89 - HB3   MET   96   8.67 +/- 2.15  52.148% * 94.3530% (0.69 10.00   0.02   0.02) =  94.794%  kept
          QG2   VAL   83 - HB3   MET   96   9.08 +/- 2.88  47.852% *  5.6470% (0.41  1.00   0.02   0.02) =   5.206%  kept
    Distance limit 3.82 A violated in 20 structures by 3.72 A, eliminated.
    Peak unassigned.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 46.3:
          HN    PHE   97 - HG2   MET   96   3.58 +/- 0.48  99.694% * 99.1286% (0.92   5.60  46.26) = 100.000%  kept
          HN    LEU  115 - HB2   PRO   52  11.73 +/- 2.07   0.228% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    LEU  115 - HG2   MET   96  14.50 +/- 1.58   0.037% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  14.41 +/- 1.25   0.032% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  18.71 +/- 2.07   0.007% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  30.04 +/- 2.36   0.000% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.18 +/- 1.64   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  37.89 +/- 2.50   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.04, residual support = 46.3:
          HN    PHE   97 - HG3   MET   96   3.12 +/- 0.57  99.981% * 99.5680% (0.54   6.04  46.26) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  14.43 +/- 1.32   0.015% *  0.3297% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.87 +/- 1.19   0.004% *  0.1022% (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 = 0.488, support = 2.07, residual support = 6.36:
          HG13  ILE  103 - HG2   MET   96   3.73 +/- 0.91  75.667% * 36.0650% (0.25   2.55   8.34) =  67.814%  kept
          QG2   THR   94 - HG2   MET   96   5.17 +/- 0.83  21.787% * 59.4159% (0.99   1.06   2.18) =  32.169%  kept
          HB3   LYS+ 112 - HB2   PRO   52  10.78 +/- 2.13   1.051% *  0.3261% (0.29   0.02   0.02) =   0.009%
          HD2   LYS+ 112 - HB2   PRO   52  10.79 +/- 2.48   0.470% *  0.2886% (0.25   0.02   0.02) =   0.003%
          QG2   THR   94 - HB2   PRO   52  10.70 +/- 2.14   0.288% *  0.3297% (0.29   0.02   0.02) =   0.002%
          HB3   LEU   71 - HG2   MET   96  12.63 +/- 1.45   0.082% *  0.9068% (0.80   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - HB2   PRO   52   9.84 +/- 3.12   0.625% *  0.0513% (0.05   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG2   MET   96  19.15 +/- 1.73   0.006% *  1.1101% (0.98   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  19.35 +/- 1.77   0.006% *  0.9824% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  16.80 +/- 2.28   0.014% *  0.1747% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  24.91 +/- 1.60   0.001% *  0.2664% (0.24   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  21.20 +/- 2.05   0.003% *  0.0830% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.714, support = 2.46, residual support = 8.27:
          QD1   ILE  103 - HG2   MET   96   3.43 +/- 1.02  78.434% * 19.8732% (0.49   1.96   8.34) =  55.392%  kept
          QG2   ILE  103 - HG2   MET   96   4.71 +/- 0.88  19.019% * 64.8078% (1.00   3.12   8.34) =  43.801%  kept
          QD2   LEU   40 - HG2   MET   96   7.61 +/- 0.80   1.698% * 13.2749% (0.95   0.67   0.02) =   0.801%  kept
          HB    VAL   75 - HG2   MET   96  10.30 +/- 1.11   0.384% *  0.1561% (0.38   0.02   0.02) =   0.002%
          QD1   LEU   67 - HG2   MET   96  12.33 +/- 2.20   0.114% *  0.4014% (0.97   0.02   0.02) =   0.002%
          QD2   LEU   71 - HG2   MET   96  12.26 +/- 1.29   0.154% *  0.2523% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG2   MET   96  15.07 +/- 0.85   0.032% *  0.4123% (0.99   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   MET   96  13.28 +/- 1.20   0.058% *  0.1284% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  15.55 +/- 1.75   0.023% *  0.1211% (0.29   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  18.03 +/- 1.83   0.010% *  0.1219% (0.29   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  15.74 +/- 1.70   0.025% *  0.0459% (0.11   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  15.07 +/- 1.24   0.025% *  0.0377% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  18.53 +/- 1.64   0.007% *  0.1179% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  19.83 +/- 1.61   0.005% *  0.1156% (0.28   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  17.86 +/- 1.82   0.009% *  0.0595% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  21.66 +/- 1.31   0.003% *  0.0741% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 2 structures by 0.23 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.248, support = 0.4, residual support = 0.512:
          HG    LEU   98 - HG3   MET   96   4.44 +/- 1.29  51.776% * 10.1350% (0.25   0.24   0.37) =  60.958%  kept
          QB    LEU   98 - HG3   MET   96   5.32 +/- 0.89  13.148% * 19.4002% (0.14   0.84   0.37) =  29.631%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.90 +/- 1.32  33.949% *  2.0743% (0.61   0.02   2.18) =   8.180%  kept
          HG3   LYS+ 102 - HG3   MET   96  10.76 +/- 1.30   0.169% * 54.6424% (0.59   0.54   0.14) =   1.072%  kept
          HB    VAL   42 - HG3   MET   96   8.98 +/- 0.64   0.422% *  1.8644% (0.54   0.02   0.02) =   0.091%
          HB3   LEU   73 - HG3   MET   96  10.89 +/- 1.68   0.151% *  1.9665% (0.57   0.02   0.02) =   0.034%
          HB3   ASP-  44 - HG3   MET   96  10.23 +/- 0.98   0.226% *  0.4114% (0.12   0.02   0.02) =   0.011%
          HB3   PRO   93 - HG3   MET   96  12.58 +/- 0.85   0.065% *  1.1770% (0.34   0.02   0.02) =   0.009%
          QB    ALA   84 - HG3   MET   96  13.17 +/- 1.93   0.064% *  1.0937% (0.32   0.02   0.02) =   0.008%
          HG3   LYS+  33 - HG3   MET   96  16.11 +/- 1.00   0.011% *  1.7364% (0.51   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HG3   MET   96  19.17 +/- 1.43   0.004% *  2.0605% (0.60   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   MET   96  19.90 +/- 0.96   0.003% *  1.8644% (0.54   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   MET   96  17.41 +/- 1.46   0.009% *  0.6416% (0.19   0.02   0.02) =   0.001%
          QB    ALA   12 - HG3   MET   96  24.29 +/- 2.22   0.002% *  0.9320% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.03 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 = 0.239, support = 2.17, residual support = 7.14:
          HG13  ILE  103 - HG3   MET   96   3.46 +/- 0.42  89.160% * 29.8276% (0.15  1.00   2.40   8.34) =  80.563%  kept
          QG2   THR   94 - HG3   MET   96   5.38 +/- 0.76  10.764% * 59.6007% (0.60  1.00   1.21   2.18) =  19.434%  kept
          HB3   LEU   71 - HG3   MET   96  12.51 +/- 1.38   0.058% *  0.7979% (0.49  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 112 - HG3   MET   96  19.38 +/- 1.78   0.004% *  8.6433% (0.53 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG3   MET   96  19.16 +/- 1.38   0.004% *  0.9767% (0.59  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  16.81 +/- 1.88   0.010% *  0.1537% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.437, support = 2.38, residual support = 8.34:
          QD1   ILE  103 - HG3   MET   96   3.24 +/- 0.90  78.126% * 23.2129% (0.30   1.89   8.34) =  54.085%  kept
          QG2   ILE  103 - HG3   MET   96   4.38 +/- 0.75  20.612% * 74.6669% (0.61   2.96   8.34) =  45.898%  kept
          QD2   LEU   40 - HG3   MET   96   7.29 +/- 0.76   0.936% *  0.4784% (0.57   0.02   0.02) =   0.013%
          QD1   LEU   67 - HG3   MET   96  12.19 +/- 2.25   0.079% *  0.4880% (0.59   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG3   MET   96  12.19 +/- 1.36   0.086% *  0.3067% (0.37   0.02   0.02) =   0.001%
          HB    VAL   75 - HG3   MET   96  10.71 +/- 1.01   0.118% *  0.1898% (0.23   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG3   MET   96  15.28 +/- 0.71   0.013% *  0.5012% (0.60   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   MET   96  13.08 +/- 1.13   0.030% *  0.1561% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.44, residual support = 10.9:
      O   HN    LEU   98 - HA    PHE   97   2.20 +/- 0.00 100.000% *100.0000% (0.80  10.0   3.44  10.94) = 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  99.987% * 99.8692% (0.90  10.0   4.74  62.66) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  13.94 +/- 1.70   0.010% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.67 +/- 1.51   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 +/- 0.11  99.994% * 99.9164% (0.45  10.0 10.00   2.44  62.66) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  14.96 +/- 4.73   0.006% *  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 = 7.77, residual support = 58.2:
          HN    ASP- 105 - HB2   PHE   97   2.34 +/- 0.34 100.000% * 99.8980% (0.95   7.77  58.24) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  19.60 +/- 2.68   0.000% *  0.1020% (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   2.64 +/- 0.44  99.981% * 99.8692% (0.90  10.0   4.85  62.66) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  12.42 +/- 1.77   0.016% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  16.03 +/- 1.58   0.003% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.962, support = 3.53, residual support = 51.2:
        T HB3   ASP- 105 - HB2   PHE   97   3.18 +/- 0.85  78.725% * 55.0882% (0.99 10.00   3.76  58.24) =  84.909%  kept
        T QB    LYS+ 106 - HB2   PHE   97   4.74 +/- 0.94  17.317% * 44.5050% (0.80 10.00   2.22  11.47) =  15.089%  kept
          HB    ILE  103 - HB2   PHE   97   7.08 +/- 0.65   1.332% *  0.0556% (1.00  1.00   0.02   1.15) =   0.001%
          HG12  ILE  103 - HB2   PHE   97   6.33 +/- 0.76   2.505% *  0.0110% (0.20  1.00   0.02   1.15) =   0.001%
          HG3   PRO   68 - HB2   PHE   97  14.32 +/- 2.31   0.045% *  0.0555% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  13.23 +/- 1.54   0.038% *  0.0228% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  15.20 +/- 0.59   0.010% *  0.0526% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  14.67 +/- 0.88   0.014% *  0.0139% (0.25  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  14.70 +/- 1.09   0.009% *  0.0209% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.59 +/- 1.13   0.001% *  0.0555% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  19.14 +/- 1.99   0.002% *  0.0228% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  21.72 +/- 1.39   0.001% *  0.0464% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  22.01 +/- 0.90   0.001% *  0.0498% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 4.48, residual support = 15.9:
        T HB2   LEU  104 - HB2   PHE   97   3.63 +/- 0.47  49.879% * 82.3816% (0.31 10.00   4.70  17.27) =  91.175%  kept
          QG2   ILE  103 - HB2   PHE   97   4.33 +/- 0.59  21.326% *  9.5167% (0.25  1.00   2.86   1.15) =   4.503%  kept
          QD2   LEU   40 - HB2   PHE   97   4.33 +/- 0.92  25.940% *  7.4967% (0.38  1.00   1.50   1.59) =   4.315%  kept
          QD1   ILE  119 - HB2   PHE   97   8.87 +/- 2.14   0.866% *  0.1619% (0.61  1.00   0.02   0.56) =   0.003%
          QD1   LEU   67 - HB2   PHE   97   9.47 +/- 3.10   1.231% *  0.0910% (0.34  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HB2   PHE   97   7.95 +/- 0.68   0.729% *  0.0528% (0.20  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   PHE   97  13.81 +/- 0.86   0.021% *  0.2525% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  16.44 +/- 0.76   0.007% *  0.0467% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.339, support = 1.64, residual support = 5.06:
        T QD2   LEU   40 - HB3   PHE   97   3.54 +/- 0.97  38.202% * 75.0769% (0.36 10.00   1.16   1.59) =  75.738%  kept
          HB2   LEU  104 - HB3   PHE   97   3.27 +/- 0.86  48.368% * 17.3922% (0.29  1.00   3.27  17.27) =  22.215%  kept
          QG2   ILE  103 - HB3   PHE   97   4.81 +/- 0.83  11.446% *  6.7503% (0.24  1.00   1.57   1.15) =   2.040%  kept
          QD1   ILE  119 - HB3   PHE   97   8.99 +/- 2.36   0.611% *  0.2089% (0.57  1.00   0.02   0.56) =   0.003%
          QD1   LEU   67 - HB3   PHE   97   8.98 +/- 3.27   0.995% *  0.1175% (0.32  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - HB3   PHE   97   8.77 +/- 1.04   0.364% *  0.0682% (0.19  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB3   PHE   97  14.05 +/- 0.85   0.010% *  0.3258% (0.89  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  16.50 +/- 0.82   0.004% *  0.0603% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.03 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   2.42 +/- 0.12  99.996% * 99.8821% (0.87  10.0 10.00   2.74  62.66) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  15.46 +/- 4.75   0.004% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  24.90 +/- 1.38   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 = 5.62, residual support = 58.2:
          HN    ASP- 105 - HB3   PHE   97   2.86 +/- 0.44  99.997% * 99.0991% (0.46   5.62  58.24) = 100.000%  kept
          HN    ALA   88 - HB3   PHE   97  20.25 +/- 2.69   0.002% *  0.6288% (0.82   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   PHE   97  19.68 +/- 1.05   0.001% *  0.2721% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.2, residual support = 62.7:
      O   HN    PHE   97 - HB3   PHE   97   3.32 +/- 0.48  99.958% * 99.8692% (0.85  10.0   5.20  62.66) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  13.10 +/- 2.04   0.034% *  0.0999% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.75 +/- 1.85   0.007% *  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 = 0.752, support = 2.11, residual support = 51.4:
          HB3   ASP- 105 - HB3   PHE   97   3.78 +/- 0.62  78.358% * 55.9496% (0.72  1.00   2.26  58.24) =  85.488%  kept
          QB    LYS+ 106 - HB3   PHE   97   5.65 +/- 1.22  19.627% * 37.8733% (0.93  1.00   1.19  11.47) =  14.495%  kept
          HB    ILE  103 - HB3   PHE   97   7.43 +/- 0.76   1.825% *  0.4449% (0.65  1.00   0.02   1.15) =   0.016%
          HG3   PRO   68 - HB3   PHE   97  13.52 +/- 2.07   0.056% *  0.4190% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   PHE   97  13.79 +/- 1.17   0.043% *  0.4703% (0.69  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   PHE   97  14.63 +/- 0.91   0.028% *  0.5618% (0.82  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   PHE   97  15.22 +/- 1.24   0.019% *  0.5618% (0.82  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB3   PHE   97  17.98 +/- 1.33   0.007% *  1.4420% (0.21 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   PHE   97  14.80 +/- 0.86   0.023% *  0.3408% (0.50  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  16.99 +/- 0.82   0.009% *  0.2431% (0.36  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  22.10 +/- 1.37   0.002% *  0.6251% (0.91  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  22.75 +/- 0.73   0.002% *  0.5979% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  22.04 +/- 1.35   0.002% *  0.4703% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.311, support = 3.26, residual support = 25.5:
          HG12  ILE  103 - HA    LEU   98   3.73 +/- 0.43  68.783% * 46.4347% (0.25   3.78  26.54) =  80.123%  kept
          HB    VAL   41 - HA    LEU   98   4.94 +/- 1.01  19.851% * 27.7491% (0.38   1.50  29.79) =  13.819%  kept
          QB    LYS+ 102 - HA    LEU   98   5.29 +/- 0.58  11.030% * 21.8673% (0.98   0.45   1.78) =   6.051%  kept
          HB2   LEU   71 - HA    LEU   98   9.53 +/- 0.91   0.297% *  0.9836% (1.00   0.02   0.02) =   0.007%
          QB    LYS+  66 - HA    LEU   98  14.29 +/- 0.98   0.024% *  0.5581% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  17.47 +/- 0.77   0.007% *  0.9858% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  18.46 +/- 0.57   0.005% *  0.8234% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  20.20 +/- 0.96   0.003% *  0.5979% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 26.5:
          HA    ILE  103 - HA    LEU   98   2.13 +/- 0.22  99.396% * 94.1073% (0.73   2.96  26.54) =  99.998%  kept
          HA    LEU  104 - HA    LEU   98   5.14 +/- 0.53   0.589% *  0.2437% (0.28   0.02   8.47) =   0.002%
          HA    ASP-  44 - HA    LEU   98  11.91 +/- 0.65   0.004% *  0.7861% (0.90   0.02   0.02) =   0.000%
          HA    THR   39 - HA    LEU   98  10.04 +/- 0.45   0.010% *  0.2437% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  19.99 +/- 4.03   0.000% *  0.6365% (0.73   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  20.59 +/- 1.40   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  22.26 +/- 2.78   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  22.84 +/- 1.30   0.000% *  0.5670% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  27.36 +/- 2.65   0.000% *  0.6699% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  23.98 +/- 1.34   0.000% *  0.2990% (0.34   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  29.63 +/- 3.05   0.000% *  0.8091% (0.92   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  26.88 +/- 0.94   0.000% *  0.1735% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 5.13:
          HN    ASP- 105 - HA    LEU   98   4.71 +/- 0.70  99.965% * 99.7774% (0.95   3.56   5.13) = 100.000%  kept
          HN    ALA   88 - HA    LEU   98  20.12 +/- 3.18   0.035% *  0.2226% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 7 structures by 0.86 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.22, residual support = 17.4:
      O   HN    LYS+  99 - HA    LEU   98   2.31 +/- 0.08  99.336% * 99.7964% (0.80  10.0   4.22  17.41) =  99.999%  kept
          HE1   HIS  122 - HA    LEU   98   9.61 +/- 4.11   0.656% *  0.0905% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HA    LEU   98  11.24 +/- 0.52   0.008% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  22.58 +/- 1.56   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 = 3.71, residual support = 8.47:
          HN    LEU  104 - HA    LEU   98   2.83 +/- 0.63  99.970% * 99.6473% (0.92   3.71   8.47) = 100.000%  kept
          HN    PHE   72 - HA    LEU   98  12.50 +/- 0.37   0.030% *  0.3527% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 1 structures by 0.11 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.21, residual support = 81.4:
      O   HN    LEU   98 - HA    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.98  10.0   5.21  81.44) = 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 = 0.431, support = 3.47, residual support = 29.6:
        T HB    VAL   41 - QB    LEU   98   2.41 +/- 0.98  74.378% * 81.0477% (0.42 10.00   3.49  29.79) =  93.633%  kept
          HG12  ILE  103 - QB    LEU   98   3.28 +/- 0.73  24.523% * 16.7086% (0.56  1.00   3.10  26.54) =   6.364%  kept
          HB    ILE  103 - QB    LEU   98   5.00 +/- 0.64   0.968% *  0.1144% (0.60  1.00   0.02  26.54) =   0.002%
        T QB    LYS+ 106 - QB    LEU   98   7.27 +/- 0.63   0.082% *  0.5139% (0.27 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - QB    LEU   98   9.86 +/- 0.46   0.012% *  0.8105% (0.42 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QB    LEU   98   8.38 +/- 0.67   0.033% *  0.1010% (0.53  1.00   0.02   5.13) =   0.000%
          HG3   PRO   68 - QB    LEU   98  14.66 +/- 1.63   0.001% *  0.1209% (0.63  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  16.54 +/- 2.01   0.001% *  0.1493% (0.78  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    LEU   98  13.45 +/- 0.77   0.002% *  0.0514% (0.27  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  20.76 +/- 1.58   0.000% *  0.1493% (0.78  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  18.66 +/- 1.64   0.000% *  0.0568% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  20.76 +/- 1.00   0.000% *  0.0685% (0.36  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  22.38 +/- 1.21   0.000% *  0.1077% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.85, residual support = 17.4:
          HN    LYS+  99 - QB    LEU   98   2.94 +/- 0.30  99.327% * 97.3575% (0.27   3.85  17.41) =  99.995%  kept
          HN    ASN   35 - QB    LEU   98   8.21 +/- 0.46   0.247% *  1.3673% (0.72   0.02   0.02) =   0.003%
          HE1   HIS  122 - QB    LEU   98   9.92 +/- 3.41   0.424% *  0.4082% (0.22   0.02   0.02) =   0.002%
          HN    GLU-  14 - QB    LEU   98  19.15 +/- 1.38   0.002% *  0.2526% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  23.70 +/- 2.36   0.001% *  0.6144% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.96, residual support = 29.8:
          HN    VAL   41 - QB    LEU   98   3.24 +/- 0.35 100.000% *100.0000% (0.85   2.96  29.79) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.06, residual support = 81.4:
      O   HN    LEU   98 - QB    LEU   98   2.84 +/- 0.16 100.000% *100.0000% (0.85  10.0   5.06  81.44) = 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 = 81.4:
      O   HA    LEU   98 - HG    LEU   98   3.17 +/- 0.44 100.000% *100.0000% (0.69  10.0   4.04  81.44) = 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 = 3.96, residual support = 81.4:
          HN    LEU   98 - HG    LEU   98   3.04 +/- 0.69 100.000% *100.0000% (0.98   3.96  81.44) = 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 = 0.249, support = 4.3, residual support = 26.5:
        T HA    ILE  103 - QD1   LEU   98   2.62 +/- 0.56  98.990% * 95.3462% (0.25 10.00   4.30  26.54) =  99.977%  kept
        T HA    LEU  104 - QD1   LEU   98   6.18 +/- 0.58   0.713% *  2.9222% (0.76 10.00   0.02   8.47) =   0.022%
          HA    ASP-  44 - QD1   LEU   98   8.78 +/- 1.55   0.266% *  0.1572% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   98  14.19 +/- 3.45   0.015% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  15.12 +/- 2.11   0.008% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  16.19 +/- 2.65   0.005% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  19.44 +/- 1.42   0.002% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  23.27 +/- 2.31   0.000% *  0.3790% (0.99  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  25.19 +/- 2.66   0.000% *  0.1714% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 1 structures by 0.07 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.782, support = 0.0199, residual support = 0.0199:
          HD1   TRP   27 - QD1   LEU   98   9.34 +/- 2.08  59.792% * 33.8723% (0.84   0.02   0.02) =  66.338%  kept
          QD    PHE   59 - QD1   LEU   98  11.55 +/- 1.42  17.037% * 33.8723% (0.84   0.02   0.02) =  18.902%  kept
          HE21  GLN   30 - QD1   LEU   98  11.12 +/- 1.29  22.236% * 19.7390% (0.49   0.02   0.02) =  14.377%  kept
          HH2   TRP   49 - QD1   LEU   98  19.56 +/- 1.89   0.934% * 12.5164% (0.31   0.02   0.02) =   0.383%
    Distance limit 3.49 A violated in 20 structures by 4.90 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   2.23 +/- 0.41  99.971% * 98.4796% (0.69 10.00   2.96  16.88) = 100.000%  kept
        T QD1   LEU   63 - HB2   LYS+  99  10.83 +/- 1.30   0.014% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LYS+  99  11.29 +/- 0.81   0.010% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB2   LYS+  99  18.59 +/- 1.81   0.001% *  0.8117% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  14.60 +/- 2.20   0.003% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  18.13 +/- 3.32   0.001% *  0.1430% (1.00  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  18.13 +/- 2.26   0.001% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 2.56, residual support = 12.5:
        T QD2   LEU   40 - HB2   LYS+  99   2.70 +/- 0.72  98.403% * 99.5023% (0.95 10.00   2.56  12.50) =  99.999%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.89 +/- 0.36   0.990% *  0.1050% (1.00  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  99   8.08 +/- 0.71   0.428% *  0.0512% (0.49  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   LYS+  99  10.24 +/- 2.88   0.097% *  0.1015% (0.97  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  99  10.41 +/- 1.09   0.055% *  0.0638% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  12.68 +/- 1.81   0.023% *  0.0325% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  20.25 +/- 1.09   0.001% *  0.1043% (0.99  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  17.81 +/- 0.66   0.003% *  0.0395% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.78, residual support = 171.2:
      O   HN    LYS+  99 - HB2   LYS+  99   2.98 +/- 0.30  95.182% * 99.4797% (0.31  10.0   4.78 171.16) =  99.996%  kept
          HE1   HIS  122 - HB2   LYS+  99   8.69 +/- 3.98   4.771% *  0.0804% (0.25   1.0   0.02   0.02) =   0.004%
          HN    ASN   35 - HB2   LYS+  99  11.29 +/- 0.68   0.046% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  21.56 +/- 1.89   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  26.49 +/- 2.67   0.000% *  0.1210% (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 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.19, residual support = 171.2:
      O   HN    LYS+  99 - HA    LYS+  99   2.92 +/- 0.01  99.194% * 99.7964% (0.80  10.0   5.19 171.16) =  99.999%  kept
          HE1   HIS  122 - HA    LYS+  99   9.72 +/- 4.03   0.650% *  0.0905% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HA    LYS+  99   8.81 +/- 0.64   0.155% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  19.78 +/- 1.64   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 = 38.2:
      O   HN    GLU- 100 - HA    LYS+  99   2.19 +/- 0.05 100.000% *100.0000% (0.84  10.0   6.83  38.17) = 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 = 0.783, support = 5.0, residual support = 184.9:
      O   QE    LYS+  99 - HG2   LYS+  99   2.77 +/- 0.55  39.538% * 79.1619% (0.99  10.0   5.16 171.16) =  71.655%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.48 +/- 0.53  60.130% * 20.5905% (0.26  10.0   4.58 219.50) =  28.345%  kept
          QE    LYS+  38 - HG2   LYS+  99   7.57 +/- 0.90   0.137% *  0.0756% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  99   9.11 +/- 1.48   0.111% *  0.0610% (0.76   1.0   0.02   1.48) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   8.59 +/- 0.90   0.041% *  0.0216% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.36 +/- 0.77   0.025% *  0.0272% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  12.50 +/- 1.98   0.016% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  18.43 +/- 1.44   0.000% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.06 +/- 0.83   0.001% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  18.76 +/- 0.84   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 = 7.01, residual support = 171.1:
      O T HA    LYS+  99 - HG2   LYS+  99   2.77 +/- 0.36  80.216% * 98.9579% (0.84  10.0 10.00   7.01 171.16) =  99.988%  kept
          HA    LEU   40 - HG2   LYS+  99   4.24 +/- 0.72   7.497% *  0.0671% (0.57   1.0  1.00   0.02  12.50) =   0.006%
          HA    ASN   35 - HG2   LYS+  38   4.27 +/- 0.93  11.846% *  0.0305% (0.26   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  99 - HG2   LYS+  38   8.44 +/- 0.65   0.133% *  0.2697% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   LYS+  99   8.33 +/- 0.76   0.160% *  0.1121% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.27 +/- 0.41   0.131% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  14.54 +/- 2.80   0.009% *  0.1182% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  17.42 +/- 1.42   0.002% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  16.52 +/- 1.65   0.003% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  23.70 +/- 1.30   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  20.54 +/- 3.08   0.001% *  0.0322% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  19.11 +/- 2.93   0.002% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  22.11 +/- 2.27   0.000% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  22.79 +/- 0.93   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.65 +/- 1.95   0.000% *  0.0577% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  29.06 +/- 1.31   0.000% *  0.0312% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  27.25 +/- 1.03   0.000% *  0.0133% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  30.66 +/- 1.81   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 = 0.0884, support = 5.09, residual support = 12.4:
          HA    SER   37 - HA    LYS+  38   5.17 +/- 0.02  41.502% * 43.4273% (0.05  1.00   5.55  13.53) =  91.415%  kept
          HA    LEU   40 - HA    GLU- 100   5.34 +/- 0.88  40.697% *  2.7140% (0.80  1.00   0.02   0.02) =   5.602%  kept
          HA    LEU   40 - HA    LYS+  38   6.11 +/- 0.10  15.297% *  3.5424% (0.05  1.00   0.43   0.02) =   2.748%  kept
          HA    SER   37 - HA    GLU- 100   9.06 +/- 0.89   1.515% *  2.5903% (0.76  1.00   0.02   0.02) =   0.199%
          HA    VAL   42 - HA    GLU- 100  10.85 +/- 0.71   0.475% *  0.7546% (0.22  1.00   0.02   0.02) =   0.018%
        T HA    PRO   58 - HA    GLU- 100  24.87 +/- 1.23   0.003% * 31.2884% (0.92 10.00   0.02   0.02) =   0.005%
          HA    GLU-  15 - HA    GLU- 100  17.52 +/- 1.36   0.029% *  3.2063% (0.95  1.00   0.02   0.02) =   0.005%
          HA    GLN   17 - HA    GLU- 100  19.74 +/- 1.31   0.014% *  2.5903% (0.76  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HA    GLU- 100  21.72 +/- 2.17   0.009% *  3.2063% (0.95  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HA    GLU- 100  18.62 +/- 2.87   0.033% *  0.6708% (0.20  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HA    LYS+  38  15.22 +/- 1.35   0.080% *  0.1937% (0.06  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HA    GLU- 100  23.88 +/- 0.73   0.004% *  2.8311% (0.84  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HA    LYS+  38  12.18 +/- 0.18   0.248% *  0.0456% (0.01  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HA    LYS+  38  18.59 +/- 2.43   0.032% *  0.1937% (0.06  1.00   0.02   0.02) =   0.000%
        T HA    PRO   58 - HA    LYS+  38  25.15 +/- 0.88   0.003% *  1.8906% (0.06 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HA    LYS+  38  18.38 +/- 1.12   0.023% *  0.1565% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    GLU- 100  25.73 +/- 1.30   0.003% *  0.4587% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HA    LYS+  38  19.09 +/- 3.06   0.027% *  0.0405% (0.01  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HA    LYS+  38  25.09 +/- 0.33   0.003% *  0.1711% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    LYS+  38  26.86 +/- 1.22   0.002% *  0.0277% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 10 structures by 0.91 A, kept.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   3.00 +/- 0.39  98.772% * 99.9940% (1.00  10.0   3.86  14.94) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38   6.81 +/- 0.68   1.228% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 75.3:
      O   HN    GLU- 100 - HA    GLU- 100   2.27 +/- 0.12  98.247% * 99.9940% (0.84  10.0   6.39  75.28) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   4.68 +/- 0.46   1.753% *  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 = 0.766, support = 0.0199, residual support = 0.0199:
        T HA    LYS+  33 - HB2   GLU- 100  12.24 +/- 0.89  12.258% * 28.3278% (1.00 10.00   0.02   0.02) =  49.945%  kept
        T HA    GLN   32 - HB2   GLU- 100  11.27 +/- 1.00  21.421% *  8.7627% (0.31 10.00   0.02   0.02) =  26.998%  kept
        T HA    GLU-  29 - HB2   GLU- 100  16.15 +/- 1.07   2.406% * 27.8286% (0.98 10.00   0.02   0.02) =   9.632%  kept
          HA    VAL   70 - HB2   GLU- 100  10.90 +/- 1.02  26.104% *  2.3714% (0.84  1.00   0.02   0.02) =   8.903%  kept
          HB2   SER   37 - HB2   GLU- 100  10.22 +/- 0.91  36.270% *  0.5618% (0.20  1.00   0.02   0.02) =   2.931%  kept
        T HA    GLN  116 - HB2   GLU- 100  22.76 +/- 2.30   0.343% * 23.7140% (0.84 10.00   0.02   0.02) =   1.168%  kept
          HA    VAL   18 - HB2   GLU- 100  19.09 +/- 1.01   0.886% *  2.7399% (0.97  1.00   0.02   0.02) =   0.349%
          HB2   SER   82 - HB2   GLU- 100  28.14 +/- 3.50   0.117% *  2.6208% (0.92  1.00   0.02   0.02) =   0.044%
          HA    ALA   88 - HB2   GLU- 100  28.59 +/- 2.75   0.107% *  0.9684% (0.34  1.00   0.02   0.02) =   0.015%
          HA    SER   48 - HB2   GLU- 100  31.44 +/- 1.11   0.044% *  1.6074% (0.57  1.00   0.02   0.02) =   0.010%
          HD2   PRO   52 - HB2   GLU- 100  31.61 +/- 1.42   0.044% *  0.4972% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 3.33 A violated in 20 structures by 5.27 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.463, support = 4.59, residual support = 33.3:
          HG2   LYS+  99 - HG2   GLU- 100   4.66 +/- 0.96  34.566% * 90.9968% (0.45   5.22  38.17) =  87.179%  kept
          HG2   LYS+  38 - HG2   GLU- 100   4.07 +/- 1.23  65.332% *  7.0800% (0.57   0.32   0.02) =  12.820%  kept
          HB2   LEU   31 - HG2   GLU- 100  11.57 +/- 1.59   0.097% *  0.1362% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  21.08 +/- 1.15   0.002% *  0.7624% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  24.47 +/- 2.45   0.001% *  0.6976% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  20.87 +/- 1.22   0.002% *  0.1539% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  28.35 +/- 2.46   0.000% *  0.1732% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.46, support = 3.64, residual support = 34.2:
          HG2   LYS+  99 - HG3   GLU- 100   4.08 +/- 1.44  48.663% * 88.0032% (0.45   4.02  38.17) =  89.707%  kept
          HG2   LYS+  38 - HG3   GLU- 100   4.54 +/- 1.70  51.277% *  9.5824% (0.57   0.35   0.02) =  10.293%  kept
          HB2   LEU   31 - HG3   GLU- 100  11.77 +/- 1.21   0.057% *  0.1710% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  20.95 +/- 1.07   0.001% *  0.9571% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  24.30 +/- 2.75   0.001% *  0.8757% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  21.02 +/- 0.84   0.001% *  0.1932% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  27.85 +/- 2.69   0.000% *  0.2174% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.43, residual support = 75.3:
      O   HA    GLU- 100 - HG3   GLU- 100   2.86 +/- 0.56  75.694% * 99.7364% (1.00  10.0   4.43  75.28) =  99.994%  kept
          HA    LYS+  38 - HG3   GLU- 100   3.80 +/- 1.14  24.305% *  0.0198% (0.20   1.0   0.02   0.02) =   0.006%
          HA    VAL   83 - HG3   GLU- 100  24.59 +/- 4.18   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  27.56 +/- 1.31   0.000% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  28.79 +/- 1.49   0.000% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.23, residual support = 75.3:
          HN    GLU- 100 - HG3   GLU- 100   3.24 +/- 0.91 100.000% *100.0000% (0.97   4.23  75.28) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.4, residual support = 75.3:
          HN    GLU- 100 - HG2   GLU- 100   3.48 +/- 0.76 100.000% *100.0000% (0.84   6.40  75.28) = 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 = 4.63, residual support = 159.5:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.58 +/- 0.07  99.394% * 99.6342% (1.00  10.0   4.63 159.46) = 100.000%  kept
          HN    LYS+ 102 - HB    VAL   41   7.40 +/- 1.79   0.433% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB    VAL   41   8.23 +/- 0.53   0.107% *  0.0272% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    VAL   41   9.91 +/- 0.91   0.041% *  0.0433% (0.43   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  11.65 +/- 1.39   0.015% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  13.22 +/- 1.20   0.006% *  0.0964% (0.97   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  18.36 +/- 3.45   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  15.98 +/- 3.28   0.003% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 22.4:
          HN    ILE  103 - QB    LYS+ 102   3.12 +/- 0.37  99.457% * 98.9428% (1.00   5.44  22.40) =  99.999%  kept
          HN    ILE  103 - HB    VAL   41   8.00 +/- 1.13   0.530% *  0.1635% (0.45   0.02   0.02) =   0.001%
          HN    GLY  109 - QB    LYS+ 102  17.95 +/- 0.73   0.003% *  0.1914% (0.53   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  17.41 +/- 0.76   0.004% *  0.0860% (0.24   0.02   0.02) =   0.000%
          HN    GLN   90 - QB    LYS+ 102  22.40 +/- 1.97   0.001% *  0.3442% (0.95   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  20.76 +/- 1.61   0.001% *  0.1547% (0.43   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  20.09 +/- 2.67   0.002% *  0.0364% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  23.45 +/- 2.95   0.001% *  0.0810% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.42, residual support = 159.5:
          HN    LYS+ 102 - HG2   LYS+ 102   3.66 +/- 0.39  98.763% * 99.2117% (0.73   4.42 159.46) =  99.997%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.52 +/- 1.48   1.134% *  0.2321% (0.38   0.02   0.02) =   0.003%
          HN    GLU-  36 - HG2   LYS+ 102  14.46 +/- 2.17   0.034% *  0.3254% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  13.14 +/- 1.85   0.063% *  0.1083% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  21.03 +/- 3.70   0.005% *  0.1224% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.541, support = 0.0199, residual support = 0.0199:
        T QB    SER  117 - HA    ILE  103  13.53 +/- 0.86  13.721% *  7.5887% (0.34 10.00   0.02   0.02) =  41.013%  kept
          HA    LYS+ 121 - HA    ILE  103  12.68 +/- 1.20  21.684% *  1.5282% (0.69  1.00   0.02   0.02) =  13.052%  kept
        T QB    SER   85 - HA    ILE  103  20.18 +/- 2.95   1.492% * 19.9520% (0.90 10.00   0.02   0.02) =  11.728%  kept
          HB    THR   94 - HA    ILE  103  13.17 +/- 0.72  14.888% *  1.7002% (0.76  1.00   0.02   0.02) =   9.970%  kept
          HA2   GLY   16 - HA    THR   39  13.07 +/- 1.93  20.996% *  0.6592% (0.30  1.00   0.02   0.02) =   5.451%  kept
          HA    ALA  120 - HA    ILE  103  16.04 +/- 1.33   5.068% *  2.2050% (0.99  1.00   0.02   0.02) =   4.402%  kept
        T QB    SER   48 - HA    ILE  103  23.40 +/- 1.07   0.476% * 19.2979% (0.87 10.00   0.02   0.02) =   3.619%  kept
          HA    LYS+  65 - HA    THR   39  15.13 +/- 0.99   6.805% *  0.6139% (0.28  1.00   0.02   0.02) =   1.646%  kept
        T QB    SER  117 - HA    THR   39  19.28 +/- 1.06   1.584% *  2.5072% (0.11 10.00   0.02   0.02) =   1.564%  kept
        T HA2   GLY   51 - HA    ILE  103  26.59 +/- 0.76   0.222% * 13.4936% (0.61 10.00   0.02   0.02) =   1.182%  kept
          HA    LYS+ 121 - HA    THR   39  16.14 +/- 1.66   5.205% *  0.5049% (0.23  1.00   0.02   0.02) =   1.035%  kept
          HA    ALA  120 - HA    THR   39  17.67 +/- 2.23   3.475% *  0.7285% (0.33  1.00   0.02   0.02) =   0.997%  kept
        T HD2   PRO   52 - HA    ILE  103  23.98 +/- 1.27   0.426% *  5.5474% (0.25 10.00   0.02   0.02) =   0.930%  kept
          HA    LYS+  65 - HA    ILE  103  20.13 +/- 1.23   1.229% *  1.8582% (0.84  1.00   0.02   0.02) =   0.900%  kept
        T QB    SER   85 - HA    THR   39  26.15 +/- 2.44   0.268% *  6.5917% (0.30 10.00   0.02   0.02) =   0.695%  kept
          HA2   GLY   16 - HA    ILE  103  21.29 +/- 1.61   0.846% *  1.9952% (0.90  1.00   0.02   0.02) =   0.665%  kept
        T QB    SER   48 - HA    THR   39  25.98 +/- 0.92   0.252% *  6.3756% (0.29 10.00   0.02   0.02) =   0.633%  kept
          HB    THR   94 - HA    THR   39  20.25 +/- 0.70   1.136% *  0.5617% (0.25  1.00   0.02   0.02) =   0.251%
        T HA2   GLY   51 - HA    THR   39  30.76 +/- 1.53   0.098% *  4.4580% (0.20 10.00   0.02   0.02) =   0.172%
        T HD2   PRO   52 - HA    THR   39  29.14 +/- 1.02   0.130% *  1.8327% (0.08 10.00   0.02   0.02) =   0.094%
    Distance limit 3.07 A violated in 20 structures by 6.46 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.47, residual support = 36.9:
      O   HN    LEU  104 - HA    ILE  103   2.26 +/- 0.08  99.966% * 99.8797% (0.92  10.0   6.47  36.89) = 100.000%  kept
          HN    PHE   72 - HA    THR   39   9.13 +/- 0.72   0.028% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  11.98 +/- 0.92   0.005% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.19 +/- 0.37   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 = 3.85, residual support = 38.1:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.02  95.984% * 72.5785% (0.33  10.0   3.86  38.28) =  98.607%  kept
          HN    LYS+ 102 - HA    ILE  103   4.95 +/- 0.21   3.731% * 26.3666% (0.65   1.0   3.68  22.40) =   1.392%  kept
          HN    GLU-  36 - HA    THR   39   8.04 +/- 0.18   0.199% *  0.0612% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.70 +/- 0.47   0.013% *  0.2197% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.39 +/- 1.25   0.055% *  0.0474% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  16.59 +/- 3.56   0.005% *  0.2212% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  14.88 +/- 0.60   0.005% *  0.1851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.59 +/- 1.40   0.002% *  0.1079% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  17.06 +/- 0.71   0.002% *  0.0356% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.55 +/- 0.75   0.001% *  0.0342% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  20.83 +/- 1.38   0.001% *  0.0439% (0.20   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  23.68 +/- 3.16   0.000% *  0.0731% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  18.40 +/- 0.75   0.001% *  0.0113% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  27.87 +/- 1.32   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 = 26.5:
        T QD1   LEU   98 - HA    ILE  103   2.62 +/- 0.56  99.861% * 99.6453% (0.41 10.00   4.30  26.54) = 100.000%  kept
          QD1   LEU   98 - HA    THR   39   9.93 +/- 0.54   0.107% *  0.0329% (0.14  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    THR   39  11.43 +/- 0.67   0.026% *  0.0799% (0.33  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  15.00 +/- 0.72   0.005% *  0.2418% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 1 structures by 0.06 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.396, support = 2.63, residual support = 4.32:
          HN    ASP- 105 - QG2   ILE  103   3.22 +/- 0.57  97.476% * 28.1120% (0.38   2.58   3.18) =  94.053%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.31 +/- 0.22   2.428% * 71.3656% (0.73   3.38  22.40) =   5.946%  kept
          HD1   TRP   87 - QG2   ILE  103  13.27 +/- 3.14   0.055% *  0.1150% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE  103  15.09 +/- 0.49   0.013% *  0.3057% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  13.27 +/- 0.40   0.028% *  0.1018% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.65, residual support = 36.9:
          HN    LEU  104 - QG2   ILE  103   2.65 +/- 0.41  99.992% * 99.9413% (0.90   6.65  36.89) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.67 +/- 0.44   0.008% *  0.0587% (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 = 138.2:
      O   HN    ILE  103 - HB    ILE  103   2.11 +/- 0.07  99.999% * 99.8308% (1.00  10.0   6.72 138.16) = 100.000%  kept
          HN    GLY  109 - HB    ILE  103  15.46 +/- 0.89   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    ILE  103  20.32 +/- 1.95   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  22.61 +/- 3.19   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 = 138.2:
      O T HA    ILE  103 - HG12  ILE  103   2.38 +/- 0.21  99.722% * 97.9216% (0.20  10.0 10.00   5.98 138.16) =  99.999%  kept
          HA    LEU  104 - HG12  ILE  103   6.47 +/- 0.16   0.266% *  0.3001% (0.61   1.0  1.00   0.02  36.89) =   0.001%
          HA    ASP-  44 - HG12  ILE  103  11.68 +/- 0.88   0.009% *  0.1614% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG12  ILE  103  17.09 +/- 4.33   0.002% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  19.59 +/- 3.19   0.001% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  18.90 +/- 1.82   0.001% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  25.22 +/- 1.30   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  29.81 +/- 2.74   0.000% *  0.3892% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  32.05 +/- 3.26   0.000% *  0.1761% (0.36   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 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.92, residual support = 138.2:
          HN    ILE  103 - HG12  ILE  103   2.97 +/- 0.19  99.990% * 99.5124% (0.80   6.92 138.16) = 100.000%  kept
          HN    GLY  109 - HG12  ILE  103  15.06 +/- 0.70   0.007% *  0.1514% (0.42   0.02   0.02) =   0.000%
          HN    GLN   90 - HG12  ILE  103  19.26 +/- 1.84   0.002% *  0.2721% (0.76   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  20.81 +/- 3.03   0.001% *  0.0641% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.31, residual support = 138.2:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.989% * 99.2748% (0.58  10.0 10.00   4.31 138.16) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.61 +/- 0.70   0.008% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  12.85 +/- 0.92   0.001% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  11.38 +/- 0.98   0.002% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  22.28 +/- 1.33   0.000% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  22.54 +/- 1.78   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 = 0.457, support = 4.74, residual support = 138.2:
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.01  91.122% * 32.5765% (0.39  10.0 10.00   4.62 138.16) =  83.577%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.18 +/- 0.08   8.735% * 66.7776% (0.80  10.0 10.00   5.31 138.16) =  16.423%  kept
          QD2   LEU   40 - HG12  ILE  103   6.63 +/- 0.71   0.135% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  12.61 +/- 0.91   0.002% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG12  ILE  103  13.24 +/- 2.31   0.003% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  13.95 +/- 1.21   0.001% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  14.66 +/- 1.42   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  18.60 +/- 0.72   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 = 5.03, residual support = 26.5:
          QD1   LEU   98 - HG12  ILE  103   2.10 +/- 0.48  99.998% * 99.7141% (0.72   5.03  26.54) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  14.68 +/- 0.87   0.002% *  0.2859% (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 = 0.768, support = 4.04, residual support = 138.2:
      O   QD1   ILE  103 - HG13  ILE  103   2.14 +/- 0.01  64.934% * 82.5087% (0.84  10.0   3.97 138.16) =  89.830%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.39 +/- 0.16  35.063% * 17.2996% (0.18  10.0   4.64 138.16) =  10.170%  kept
          QD2   LEU   71 - HG13  ILE  103  12.89 +/- 0.95   0.002% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  13.76 +/- 1.33   0.001% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  18.03 +/- 0.60   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 = 2.43, residual support = 26.5:
          QD1   LEU   98 - HG13  ILE  103   2.58 +/- 0.61  99.994% * 99.4107% (0.90   2.43  26.54) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  14.79 +/- 0.73   0.006% *  0.5893% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.534, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   ILE  103  11.00 +/- 1.65  52.797% * 17.5479% (0.45   0.02   0.02) =  47.146%  kept
          QD    PHE   59 - QD1   ILE  103  12.04 +/- 1.23  31.380% * 17.5479% (0.45   0.02   0.02) =  28.021%  kept
          HE21  GLN   30 - QD1   ILE  103  13.70 +/- 1.35  13.357% * 30.1124% (0.77   0.02   0.02) =  20.468%  kept
          HH2   TRP   49 - QD1   ILE  103  18.70 +/- 1.63   2.465% * 34.7918% (0.89   0.02   0.02) =   4.364%  kept
    Distance limit 3.94 A violated in 20 structures by 5.69 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.543, support = 0.02, residual support = 0.02:
          HE3   TRP   87 - QD1   ILE  103   9.05 +/- 3.99  71.300% * 16.9137% (0.52   0.02   0.02) =  72.248%  kept
          HN    TRP   87 - QD1   ILE  103  12.07 +/- 3.22   9.311% * 21.6935% (0.67   0.02   0.02) =  12.102%  kept
          HD21  ASN   69 - QD1   ILE  103  15.17 +/- 1.55   6.168% * 20.5212% (0.63   0.02   0.02) =   7.583%  kept
          HN    GLN   17 - QD1   ILE  103  18.11 +/- 1.03   1.952% * 25.9142% (0.80   0.02   0.02) =   3.030%  kept
          HN    ALA   61 - QD1   ILE  103  16.06 +/- 1.18   5.519% *  8.3063% (0.26   0.02   0.02) =   2.746%  kept
          HN    ALA   91 - QD1   ILE  103  15.04 +/- 1.49   5.749% *  6.6512% (0.21   0.02   0.02) =   2.291%  kept
    Distance limit 3.60 A violated in 18 structures by 4.41 A, eliminated.
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.67, residual support = 138.2:
          HN    ILE  103 - QD1   ILE  103   3.49 +/- 0.53  99.822% * 99.4062% (0.92   5.67 138.16) = 100.000%  kept
          HN    GLY  109 - QD1   ILE  103  11.49 +/- 0.93   0.138% *  0.1844% (0.49   0.02   0.02) =   0.000%
          HN    GLN   90 - QD1   ILE  103  14.87 +/- 1.61   0.027% *  0.3315% (0.87   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  16.73 +/- 2.66   0.013% *  0.0780% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 138.2:
      O   HA    ILE  103 - HG13  ILE  103   2.70 +/- 0.41  99.194% * 99.0827% (0.73  10.0   5.40 138.16) = 100.000%  kept
          HA    LEU  104 - HG13  ILE  103   6.19 +/- 0.50   0.754% *  0.0379% (0.28   1.0   0.02  36.89) =   0.000%
          HA    ASP-  44 - HG13  ILE  103  10.79 +/- 0.79   0.035% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  16.91 +/- 4.14   0.005% *  0.0991% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  13.84 +/- 0.66   0.007% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  18.19 +/- 1.78   0.002% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  19.11 +/- 3.06   0.002% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  22.44 +/- 1.81   0.001% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  25.40 +/- 1.49   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  30.21 +/- 2.74   0.000% *  0.1043% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  32.56 +/- 3.24   0.000% *  0.1260% (0.92   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.81 +/- 0.89   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 = 6.22, residual support = 138.2:
          HN    ILE  103 - HG13  ILE  103   4.02 +/- 0.19  99.904% * 99.4578% (1.00   6.22 138.16) = 100.000%  kept
          HN    GLY  109 - HG13  ILE  103  13.61 +/- 0.64   0.075% *  0.1683% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - HG13  ILE  103  18.38 +/- 1.69   0.014% *  0.3027% (0.95   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  20.61 +/- 3.00   0.008% *  0.0712% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.29, residual support = 138.2:
          HN    ILE  103 - QG2   ILE  103   3.51 +/- 0.09  99.888% * 99.2312% (0.69   6.29 138.16) = 100.000%  kept
          HN    GLY  109 - QG2   ILE  103  11.34 +/- 0.67   0.097% *  0.4431% (0.97   0.02   0.02) =   0.000%
          HN    GLN   90 - QG2   ILE  103  16.35 +/- 1.49   0.012% *  0.2235% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  21.59 +/- 1.37   0.002% *  0.1022% (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 = 4.77, residual support = 22.4:
          HA    LYS+ 102 - HB    ILE  103   4.37 +/- 0.14  99.954% * 98.7642% (0.38   4.77  22.40) = 100.000%  kept
          HA    LEU   71 - HB    ILE  103  16.31 +/- 0.58   0.039% *  0.2182% (0.20   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    ILE  103  21.33 +/- 0.69   0.008% *  1.0177% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.36 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.821, support = 4.7, residual support = 17.3:
        T HB2   PHE   97 - HB2   LEU  104   3.63 +/- 0.47  85.942% * 99.7054% (0.82 10.00   4.70  17.27) =  99.995%  kept
          QE    LYS+  99 - HB2   LEU  104   5.43 +/- 0.82  12.881% *  0.0263% (0.22  1.00   0.02  16.88) =   0.004%
          QE    LYS+ 106 - HB2   LEU  104   7.95 +/- 1.21   1.147% *  0.0945% (0.78  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB2   LEU  104  15.29 +/- 1.54   0.022% *  0.0765% (0.63  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  17.95 +/- 1.55   0.007% *  0.0973% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.48, residual support = 39.4:
          HN    ASP- 105 - HB2   LEU  104   2.54 +/- 0.40 100.000% * 99.8776% (0.82   6.48  39.43) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  22.22 +/- 3.15   0.000% *  0.1224% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.39, residual support = 217.7:
      O   HN    LEU  104 - HB2   LEU  104   2.51 +/- 0.18  99.996% * 99.7579% (0.36  10.0   7.39 217.72) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.57 +/- 0.51   0.004% *  0.2421% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.86, residual support = 217.7:
      O   HN    LEU  104 - HB3   LEU  104   3.65 +/- 0.10  99.978% * 99.9343% (0.71  10.0   6.86 217.72) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  15.01 +/- 0.61   0.022% *  0.0657% (0.46   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.43, residual support = 217.7:
          HN    LEU  104 - HG    LEU  104   3.26 +/- 0.37  99.984% * 99.8234% (0.92   7.43 217.72) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  14.21 +/- 0.96   0.016% *  0.1766% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 1.5, residual support = 16.8:
          HN    LYS+  99 - HG    LEU  104   3.52 +/- 0.90  85.737% * 96.3289% (0.98   1.50  16.88) =  99.775%  kept
          HE1   HIS  122 - HG    LEU  104   8.43 +/- 4.42  14.245% *  1.3074% (1.00   0.02   0.02) =   0.225%
          HN    GLN   30 - HG    LEU  104  17.67 +/- 1.23   0.009% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  23.69 +/- 1.77   0.003% *  1.2844% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  23.33 +/- 3.60   0.006% *  0.4918% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 1 structures by 0.18 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.385, support = 6.72, residual support = 208.0:
          HN    LEU  104 - QD1   LEU  104   4.04 +/- 0.47  81.007% * 77.5523% (0.40   6.86 217.72) =  94.545%  kept
          HN    PHE   72 - QD1   LEU   73   5.50 +/- 0.47  16.679% * 21.7150% (0.18   4.30  39.64) =   5.451%  kept
          HN    PHE   72 - QD1   LEU   63   8.42 +/- 0.94   1.402% *  0.1010% (0.18   0.02  18.05) =   0.002%
          HN    PHE   72 - QD1   LEU  104  11.69 +/- 0.78   0.165% *  0.5484% (0.96   0.02   0.02) =   0.001%
          HN    LEU  104 - QD1   LEU   63   9.67 +/- 1.04   0.556% *  0.0416% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  11.32 +/- 0.54   0.190% *  0.0416% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.19 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   2.23 +/- 0.41  98.723% * 97.1108% (0.40 10.00   2.96  16.88) =  99.999%  kept
          HB    VAL   43 - QD1   LEU   73   5.55 +/- 0.80   1.165% *  0.0229% (0.09  1.00   0.02   7.90) =   0.000%
        T HB    VAL   43 - QD1   LEU  104  10.57 +/- 0.90   0.015% *  1.2428% (0.51 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  10.83 +/- 1.30   0.014% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  11.29 +/- 0.81   0.010% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   8.41 +/- 1.38   0.065% *  0.0229% (0.09  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - QD1   LEU  104  19.16 +/- 2.49   0.000% *  1.0590% (0.43 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  13.40 +/- 1.48   0.004% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.80 +/- 0.98   0.003% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  14.86 +/- 2.09   0.002% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  22.19 +/- 1.64   0.000% *  0.1059% (0.43  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  17.16 +/- 1.80   0.001% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.883, support = 2.14, residual support = 17.4:
          HB2   LYS+  99 - QD2   LEU  104   2.89 +/- 0.80  81.635% * 81.6579% (0.90  1.00   2.10  16.88) =  98.424%  kept
          HB3   GLN   17 - QG2   VAL   18   5.04 +/- 1.06  15.373% *  6.9050% (0.04  1.00   4.16  50.10) =   1.567%  kept
        T HB    VAL   43 - QD2   LEU  104  10.61 +/- 0.93   0.030% *  8.3521% (0.97 10.00   0.02   0.02) =   0.004%
        T HB    VAL   43 - QG1   VAL   41   7.06 +/- 0.46   0.379% *  0.4486% (0.05 10.00   0.02   1.95) =   0.003%
          HB2   LYS+  99 - QG1   VAL   41   5.38 +/- 0.56   2.509% *  0.0417% (0.05  1.00   0.02   0.02) =   0.002%
        T HB    VAL   43 - QG2   VAL   18  10.12 +/- 1.04   0.057% *  1.2834% (0.15 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   18  14.90 +/- 0.93   0.005% *  0.1193% (0.14  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   18  15.25 +/- 0.90   0.004% *  0.1228% (0.14  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  22.04 +/- 1.45   0.000% *  0.7989% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.97 +/- 1.27   0.001% *  0.2158% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.29 +/- 0.79   0.006% *  0.0116% (0.01  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  18.28 +/- 1.15   0.001% *  0.0429% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.22, residual support = 41.7:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.843% * 98.4679% (0.72  10.0 10.00   3.22  41.73) = 100.000%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.23 +/- 0.29   0.149% *  0.1263% (0.93   1.0  1.00   0.02  20.34) =   0.000%
          HB    ILE  103 - HB2   ASP- 105   8.89 +/- 0.53   0.006% *  0.0885% (0.65   1.0  1.00   0.02   3.18) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  16.13 +/- 0.85   0.000% *  0.4836% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  14.16 +/- 0.94   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  15.58 +/- 2.45   0.000% *  0.0834% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  17.70 +/- 1.01   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  18.67 +/- 0.91   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.93 +/- 1.22   0.000% *  0.0678% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  17.58 +/- 1.31   0.000% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.73 +/- 1.11   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  22.67 +/- 1.03   0.000% *  0.1189% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  23.50 +/- 1.46   0.000% *  0.1243% (0.91   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.59, residual support = 4.8:
        T QG2   THR  118 - HB2   ASP- 105   3.48 +/- 1.55 100.000% *100.0000% (0.54 10.00   1.59   4.80) = 100.000%  kept
    Distance limit 3.23 A violated in 2 structures by 0.57 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.59, residual support = 4.8:
        T QG2   THR  118 - HB3   ASP- 105   3.47 +/- 1.80 100.000% *100.0000% (0.57 10.00   1.59   4.80) = 100.000%  kept
    Distance limit 3.44 A violated in 2 structures by 0.50 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.884, support = 4.38, residual support = 49.0:
          HB2   PHE   97 - HB2   ASP- 105   4.13 +/- 0.86  69.952% * 56.5844% (0.89   4.61  58.24) =  75.707%  kept
          QE    LYS+ 106 - HB2   ASP- 105   5.66 +/- 1.43  29.590% * 42.9225% (0.85   3.69  20.34) =  24.292%  kept
          QE    LYS+  99 - HB2   ASP- 105   9.50 +/- 0.89   0.393% *  0.0648% (0.24   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   ASP- 105  13.33 +/- 1.42   0.059% *  0.1886% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  19.38 +/- 1.27   0.006% *  0.2398% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.847, support = 3.76, residual support = 56.5:
        T HB2   PHE   97 - HB3   ASP- 105   3.18 +/- 0.85  90.296% * 67.7091% (0.87 10.00   3.76  58.24) =  95.494%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.27 +/- 1.12   8.988% * 32.0903% (0.41 10.00   3.66  20.34) =   4.505%  kept
          QE    LYS+  99 - HB3   ASP- 105   8.34 +/- 1.02   0.577% *  0.0567% (0.73  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HB3   ASP- 105  11.37 +/- 1.09   0.087% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  13.07 +/- 1.56   0.041% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  16.82 +/- 1.16   0.007% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  18.69 +/- 1.46   0.004% *  0.0700% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.14, residual support = 41.7:
      O T HA    ASP- 105 - HB3   ASP- 105   2.98 +/- 0.15  99.999% * 99.8608% (0.87  10.0 10.00   3.14  41.73) = 100.000%  kept
          HA    LEU   80 - HB3   ASP- 105  24.05 +/- 1.99   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  24.95 +/- 1.33   0.000% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  23.64 +/- 1.62   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 = 4.54, residual support = 41.7:
      O   HN    ASP- 105 - HB3   ASP- 105   2.90 +/- 0.36  99.999% * 99.9603% (0.95  10.0   4.54  41.73) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  21.20 +/- 2.85   0.001% *  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 = 3.77, residual support = 20.3:
          HN    LYS+ 106 - HB3   ASP- 105   3.68 +/- 0.45  99.617% * 99.5350% (0.18   3.77  20.34) =  99.998%  kept
          HN    VAL   41 - HB3   ASP- 105   9.71 +/- 0.83   0.383% *  0.4650% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.28, residual support = 58.2:
          QD    PHE   97 - HB2   ASP- 105   4.18 +/- 0.86  99.903% * 99.2847% (0.87   3.28  58.24) =  99.999%  kept
          HZ3   TRP   87 - HB2   ASP- 105  16.90 +/- 4.81   0.093% *  0.5692% (0.82   0.02   0.02) =   0.001%
          HE3   TRP   49 - HB2   ASP- 105  24.55 +/- 1.45   0.004% *  0.1461% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 3 structures by 0.43 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.7, residual support = 41.7:
      O   HN    ASP- 105 - HB2   ASP- 105   3.74 +/- 0.25  99.995% * 99.9603% (0.89  10.0   4.70  41.73) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  20.89 +/- 2.82   0.005% *  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 = 3.8, residual support = 20.3:
          HN    LYS+ 106 - HB2   ASP- 105   2.79 +/- 0.33  99.945% * 99.5381% (0.17   3.80  20.34) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105  10.94 +/- 0.97   0.055% *  0.4619% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.09, residual support = 2.18:
        T HA    MET   96 - HA    LYS+ 106   3.17 +/- 0.79  99.868% * 99.9206% (0.87 10.00   1.09   2.18) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.56 +/- 0.47   0.132% *  0.0794% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 3 structures by 0.23 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 4.31, residual support = 11.5:
          QD    PHE   97 - HA    LYS+ 106   3.29 +/- 0.68  99.850% * 99.6132% (0.45   4.31  11.47) =  99.999%  kept
          HZ3   TRP   87 - HA    LYS+ 106  13.57 +/- 4.56   0.150% *  0.3868% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 3.02, residual support = 11.5:
          HN    PHE   97 - HA    LYS+ 106   3.49 +/- 0.56  99.548% * 99.1408% (0.90   3.02  11.47) =  99.997%  kept
          HN    LEU  115 - HA    LYS+ 106   9.78 +/- 1.37   0.397% *  0.6559% (0.90   0.02   0.02) =   0.003%
          HN    ASP- 113 - HA    LYS+ 106  13.27 +/- 1.13   0.055% *  0.2033% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 1 structures by 0.15 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.17, residual support = 135.7:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.88 +/- 0.03 100.000% *100.0000% (0.61  10.0   5.17 135.68) = 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 = 4.57, residual support = 26.8:
      O   HN    VAL  107 - HA    LYS+ 106   2.23 +/- 0.07 100.000% * 99.8992% (0.99  10.0   4.57  26.83) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.57 +/- 1.20   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 = 5.42, residual support = 135.7:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.19 +/- 0.21  99.870% * 99.9120% (0.18  10.0   5.42 135.68) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106   9.97 +/- 0.71   0.130% *  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 = 5.16, residual support = 26.8:
          HN    VAL  107 - QB    LYS+ 106   3.20 +/- 0.25  99.996% * 99.6102% (0.99   5.16  26.83) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  17.57 +/- 1.49   0.004% *  0.3898% (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 = 135.7:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.43 +/- 0.07  99.622% * 94.0497% (0.61  10.0 10.00   5.95 135.68) =  99.998%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.27 +/- 0.63   0.162% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.11 +/- 1.73   0.020% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   8.66 +/- 1.45   0.122% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+ 106   9.87 +/- 1.01   0.032% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  17.92 +/- 1.46   0.001% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  17.74 +/- 0.84   0.001% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  12.44 +/- 1.14   0.007% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106   9.82 +/- 0.83   0.028% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  14.10 +/- 1.05   0.003% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  15.04 +/- 1.03   0.002% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  15.84 +/- 2.34   0.002% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.76 +/- 2.26   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 = 5.46:
          QG2   VAL  108 - QB    LYS+ 106   3.09 +/- 0.24  98.907% * 98.4931% (1.00   2.73   5.46) =  99.992%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.08 +/- 0.44   0.854% *  0.7082% (0.98   0.02   0.02) =   0.006%
          QD1   ILE  119 - QB    LYS+ 106   9.19 +/- 1.33   0.225% *  0.5522% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QB    LYS+ 106  14.12 +/- 1.09   0.014% *  0.2465% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.55, residual support = 26.2:
          QG2   VAL  107 - QB    LYS+ 106   5.42 +/- 0.22  10.898% * 98.7199% (0.76   4.66  26.83) =  97.570%  kept
          HG13  ILE  103 - QB    LYS+ 106   4.73 +/- 0.67  32.499% *  0.5533% (1.00   0.02   0.02) =   1.631%  kept
          QG2   THR   94 - QB    LYS+ 106   4.28 +/- 0.79  55.933% *  0.1542% (0.28   0.02   0.02) =   0.782%  kept
          HG2   LYS+ 121 - QB    LYS+ 106   9.70 +/- 1.37   0.614% *  0.2918% (0.53   0.02   0.02) =   0.016%
          HB3   LYS+ 112 - QB    LYS+ 106  14.11 +/- 0.89   0.037% *  0.1712% (0.31   0.02   0.02) =   0.001%
          QB    ALA   20 - QB    LYS+ 106  15.71 +/- 0.92   0.019% *  0.1097% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 5.34, residual support = 106.8:
          HN    LYS+  81 - QG    LYS+  81   2.27 +/- 0.27  99.914% * 83.2402% (0.13   5.34 106.82) =  99.999%  kept
          HE3   TRP   27 - HG2   LYS+  33  11.01 +/- 2.37   0.023% *  2.2965% (0.98   0.02   0.02) =   0.001%
          QE    PHE   95 - HG2   LYS+ 106   9.84 +/- 1.43   0.025% *  0.8044% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  11.93 +/- 2.19   0.010% *  1.0995% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - QG    LYS+  81  10.28 +/- 1.17   0.015% *  0.5902% (0.25   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  13.18 +/- 0.68   0.004% *  1.2326% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.19 +/- 1.83   0.002% *  1.3928% (0.59   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  14.77 +/- 1.50   0.002% *  0.6351% (0.27   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.82 +/- 1.10   0.001% *  1.3441% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  17.33 +/- 1.83   0.001% *  1.0611% (0.45   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  17.07 +/- 2.61   0.001% *  1.3264% (0.57   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  16.31 +/- 2.09   0.001% *  0.4637% (0.20   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  20.58 +/- 2.03   0.000% *  0.7476% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  17.58 +/- 1.43   0.001% *  0.2812% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  26.00 +/- 2.37   0.000% *  2.2163% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  21.29 +/- 2.84   0.000% *  0.3951% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  21.74 +/- 1.86   0.000% *  0.6514% (0.28   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  23.85 +/- 0.64   0.000% *  0.2220% (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 = 0.78, residual support = 1.56:
          HN    GLU-  79 - QG    LYS+  81   3.95 +/- 0.12  99.212% * 81.8957% (0.27   0.78   1.56) =  99.981%  kept
          HN    VAL   70 - HG2   LYS+  33  12.06 +/- 2.23   0.276% *  3.7705% (0.49   0.02   0.02) =   0.013%
          HN    THR   94 - HG2   LYS+ 106  10.54 +/- 1.04   0.367% *  0.9297% (0.12   0.02   0.02) =   0.004%
          HN    THR   94 - QG    LYS+  81  12.62 +/- 1.24   0.109% *  0.7340% (0.09   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+ 106  17.30 +/- 1.19   0.016% *  2.2867% (0.30   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+  33  20.45 +/- 1.10   0.005% *  4.3855% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  20.54 +/- 2.15   0.006% *  2.6597% (0.34   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.49 +/- 1.36   0.006% *  1.5330% (0.20   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  24.26 +/- 0.38   0.002% *  1.8052% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 135.7:
      O   HA    LYS+ 106 - HG3   LYS+ 106   3.24 +/- 0.30  99.953% * 99.8764% (0.18  10.0   5.66 135.68) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  12.99 +/- 1.60   0.040% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  18.08 +/- 1.40   0.004% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  19.23 +/- 0.58   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 = 45.5:
        T HB2   PHE   95 - HB    VAL  107   2.45 +/- 0.61 100.000% *100.0000% (0.69 10.00   4.31  45.55) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.2, residual support = 58.2:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.01  99.854% * 99.7352% (0.72  10.0 10.00   3.20  58.23) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.10 +/- 1.18   0.121% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  10.13 +/- 1.39   0.015% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    VAL  107  10.23 +/- 0.98   0.010% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.37 +/- 0.63   0.000% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.43 +/- 0.96   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 = 3.62, residual support = 58.2:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.01  99.874% * 99.7552% (0.71  10.0 10.00   3.62  58.23) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.10 +/- 1.18   0.117% *  0.0227% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  11.03 +/- 1.85   0.008% *  0.0850% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  17.37 +/- 2.49   0.000% *  0.0939% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.43 +/- 0.96   0.000% *  0.0254% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL  107  17.14 +/- 1.59   0.000% *  0.0178% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.669, support = 0.626, residual support = 5.53:
          QD2   LEU  115 - HB    VAL  107   5.22 +/- 1.96  47.550% * 51.3913% (0.67   0.75   8.50) =  64.411%  kept
          QD1   LEU   63 - HB    VAL  107   5.30 +/- 1.24  41.911% * 28.3815% (0.71   0.39   0.16) =  31.353%  kept
          QD2   LEU   63 - HB    VAL  107   6.84 +/- 1.46   9.975% * 16.0507% (0.33   0.48   0.16) =   4.220%  kept
          QD1   LEU  104 - HB    VAL  107  10.60 +/- 0.71   0.356% *  1.0198% (0.50   0.02   0.02) =   0.010%
          QD1   LEU   73 - HB    VAL  107  12.66 +/- 0.71   0.118% *  1.4552% (0.71   0.02   0.02) =   0.005%
          QD2   LEU   80 - HB    VAL  107  15.61 +/- 1.75   0.036% *  1.3314% (0.65   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB    VAL  107  15.65 +/- 2.59   0.053% *  0.3702% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.84, residual support = 45.5:
          QD    PHE   95 - HB    VAL  107   2.64 +/- 0.89  99.986% * 99.8335% (0.63   3.84  45.55) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  13.80 +/- 0.95   0.014% *  0.1665% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.326, support = 1.74, residual support = 5.68:
          QD    PHE   97 - HB    VAL  107   5.29 +/- 1.20  99.550% * 99.0454% (0.33   1.74   5.68) =  99.996%  kept
          HZ3   TRP   87 - HB    VAL  107  15.92 +/- 3.88   0.450% *  0.9546% (0.27   0.02   0.02) =   0.004%
    Distance limit 3.72 A violated in 12 structures by 1.57 A, kept.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 58.2:
      O   HN    VAL  107 - HB    VAL  107   2.37 +/- 0.16  99.999% * 99.8992% (0.72  10.0   3.33  58.23) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.74 +/- 1.21   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 = 45.5:
          HN    PHE   95 - HB    VAL  107   4.00 +/- 0.73 100.000% *100.0000% (0.47   3.24  45.55) = 100.000%  kept
    Distance limit 4.09 A violated in 2 structures by 0.24 A, kept.
 
    Peak 3177 (1.15, 1.09, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.07, residual support = 58.2:
      O   QG2   VAL  107 - QG1   VAL  107   2.07 +/- 0.04  99.033% * 99.3994% (0.99  10.0  1.00   4.07  58.23) =  99.998%  kept
        T HG13  ILE  119 - QG1   VAL  107   5.08 +/- 0.87   0.807% *  0.1985% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QG1   VAL  107   7.37 +/- 1.02   0.144% *  0.0968% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   9.15 +/- 0.57   0.014% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  15.57 +/- 0.88   0.001% *  0.1756% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.64 +/- 0.99   0.001% *  0.0649% (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 3178 (2.39, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 58.2:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.01  99.758% * 99.5757% (0.65  10.0 10.00   3.62  58.23) = 100.000%  kept
          HB2   GLN  116 - QG1   VAL  107   6.39 +/- 0.77   0.161% *  0.0270% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG1   VAL  107   7.74 +/- 1.34   0.067% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107  10.65 +/- 1.23   0.012% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  17.29 +/- 1.38   0.000% *  0.1286% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  18.54 +/- 0.63   0.000% *  0.1536% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.17 +/- 1.00   0.001% *  0.0384% (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 3179 (2.39, 1.15, 62.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.2, residual support = 58.2:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.01  99.708% * 99.2330% (0.65  10.0 10.00   3.20  58.23) =  99.999%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.99 +/- 1.80   0.166% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG2   VAL  107   6.86 +/- 0.89   0.109% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   9.42 +/- 1.03   0.017% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  16.43 +/- 0.84   0.001% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  19.11 +/- 0.80   0.000% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.67 +/- 0.70   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, 62.58 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 1.74, residual support = 5.53:
        T QB    GLU- 114 - QG2   VAL  107   3.64 +/- 1.06  83.476% * 98.5355% (0.65 10.00   1.74   5.54) =  99.957%  kept
          HB2   LYS+ 111 - QG2   VAL  107   5.79 +/- 1.89  10.841% *  0.1738% (0.99  1.00   0.02   0.02) =   0.023%
        T HB    ILE  119 - QG2   VAL  107   6.85 +/- 0.89   5.316% *  0.3071% (0.18 10.00   0.02   0.02) =   0.020%
          HB3   PRO   68 - QG2   VAL  107  15.99 +/- 1.37   0.074% *  0.1404% (0.80  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  17.49 +/- 1.09   0.044% *  0.1754% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   VAL  107  15.15 +/- 1.86   0.088% *  0.0854% (0.49  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG2   VAL  107  15.20 +/- 0.75   0.060% *  0.0993% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   VAL  107  16.95 +/- 1.05   0.032% *  0.1754% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  17.84 +/- 1.32   0.015% *  0.0721% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  16.40 +/- 0.94   0.030% *  0.0307% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  17.96 +/- 0.64   0.020% *  0.0390% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  21.69 +/- 0.96   0.005% *  0.1659% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 2 structures by 0.76 A, kept.
 
    Peak 3181 (0.59, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.939, support = 1.3, residual support = 3.38:
        T QD1   LEU   63 - QG1   VAL  107   4.57 +/- 1.05  29.112% * 63.9605% (0.98 10.00   0.68   0.16) =  57.846%  kept
          QD2   LEU  115 - QG1   VAL  107   3.73 +/- 1.25  61.043% * 20.3708% (0.92  1.00   2.31   8.50) =  38.631%  kept
        T QD2   LEU   63 - QG1   VAL  107   5.65 +/- 1.27   9.554% * 11.8303% (0.45 10.00   0.28   0.16) =   3.512%  kept
        T QD1   LEU  104 - QG1   VAL  107   8.76 +/- 0.81   0.227% *  1.3143% (0.69 10.00   0.02   0.02) =   0.009%
        T QD1   LEU   73 - QG1   VAL  107  11.57 +/- 0.53   0.035% *  1.8754% (0.98 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   83 - QG1   VAL  107  14.24 +/- 2.46   0.017% *  0.4771% (0.25 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL  107  14.26 +/- 1.63   0.012% *  0.1716% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.29 A, kept.
 
    Peak 3182 (0.46, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 1.31, residual support = 8.49:
          QD1   LEU  115 - QG2   VAL  107   4.18 +/- 1.32  98.318% * 97.7551% (0.38   1.31   8.50) =  99.961%  kept
          QG1   VAL   75 - QG2   VAL  107  10.29 +/- 0.73   1.682% *  2.2449% (0.57   0.02   0.02) =   0.039%
    Distance limit 3.57 A violated in 6 structures by 0.77 A, kept.
 
    Peak 3183 (0.70, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.877, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.45 +/- 0.94  89.520% * 58.0948% (0.90   0.02   0.02) =  92.213%  kept
          QG2   ILE   19 - QG2   VAL  107  13.86 +/- 0.78  10.480% * 41.9052% (0.65   0.02   0.02) =   7.787%  kept
    Distance limit 3.25 A violated in 20 structures by 6.01 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 62.58 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.63, residual support = 58.2:
      O T HA    VAL  107 - QG2   VAL  107   2.58 +/- 0.22  98.762% * 99.4123% (0.45  10.0 10.00   3.63  58.23) =  99.999%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.94 +/- 1.67   1.173% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QG2   VAL  107  10.12 +/- 1.62   0.041% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL  107  11.49 +/- 0.99   0.022% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  16.18 +/- 0.69   0.002% *  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, 63.87 ppm):
    10 chemical-shift based assignments, quality = 0.334, support = 0.02, residual support = 1.09:
        T HB    ILE  119 - QG1   VAL  107   5.56 +/- 0.94  50.987% * 33.0939% (0.25 10.00   0.02   0.02) =  80.411%  kept
          HB2   PRO   93 - QG1   VAL  107   7.58 +/- 2.20  22.335% * 11.0857% (0.84  1.00   0.02   0.02) =  11.799%  kept
          HB    VAL  108 - QG1   VAL  107   5.91 +/- 0.40  24.559% *  5.9502% (0.45  1.00   0.02  15.34) =   6.964%  kept
          HG2   PRO   58 - QG1   VAL  107   9.70 +/- 1.04   1.499% *  8.5857% (0.65  1.00   0.02   0.02) =   0.613%  kept
          HG3   PRO   52 - QG1   VAL  107  12.38 +/- 1.65   0.341% *  8.5857% (0.65  1.00   0.02   0.02) =   0.139%
          HB2   ARG+  54 - QG1   VAL  107  13.62 +/- 1.00   0.153% *  6.9827% (0.53  1.00   0.02   0.02) =   0.051%
          HB2   GLN   30 - QG1   VAL  107  16.10 +/- 0.78   0.058% *  3.3094% (0.25  1.00   0.02   0.02) =   0.009%
          HB3   GLU- 100 - QG1   VAL  107  16.50 +/- 0.92   0.055% *  2.6265% (0.20  1.00   0.02   0.02) =   0.007%
          HB2   GLU-  14 - QG1   VAL  107  22.05 +/- 1.92   0.012% *  9.6374% (0.73  1.00   0.02   0.02) =   0.005%
          HG2   MET   11 - QG1   VAL  107  28.83 +/- 2.48   0.002% * 10.1428% (0.76  1.00   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 16 structures by 1.31 A, eliminated.
    Peak unassigned.
 
    Peak 3186 (4.14, 1.09, 63.87 ppm):
    8 chemical-shift based assignments, quality = 0.898, support = 1.23, residual support = 8.39:
          HA    LEU  115 - QG1   VAL  107   2.25 +/- 1.14  95.932% * 48.2344% (0.90   1.24   8.50) =  96.262%  kept
          HA    GLU- 114 - QG1   VAL  107   4.37 +/- 1.01   3.721% * 48.2534% (0.92   1.20   5.54) =   3.736%  kept
          HA    ALA  124 - QG1   VAL  107  13.21 +/- 0.86   0.206% *  0.2170% (0.25   0.02   0.02) =   0.001%
          HA    ARG+  54 - QG1   VAL  107  12.30 +/- 1.14   0.107% *  0.2968% (0.34   0.02   0.02) =   0.001%
          HA1   GLY  101 - QG1   VAL  107  15.28 +/- 1.17   0.011% *  0.8626% (0.99   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  16.44 +/- 0.52   0.010% *  0.8530% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  17.00 +/- 0.81   0.008% *  0.7549% (0.87   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  20.09 +/- 0.74   0.004% *  0.5278% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 1 structures by 0.18 A, kept.
 
    Peak 3187 (4.50, 1.09, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 4.31, residual support = 58.2:
      O T HA    VAL  107 - QG1   VAL  107   2.32 +/- 0.33  99.826% * 99.4123% (0.45  10.0 10.00   4.31  58.23) = 100.000%  kept
          HA    LYS+ 111 - QG1   VAL  107   7.22 +/- 0.80   0.148% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG1   VAL  107  11.85 +/- 1.12   0.016% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  13.16 +/- 1.28   0.009% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  16.23 +/- 0.77   0.002% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3188 (7.17, 1.09, 63.87 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 0.518, residual support = 2.15:
          QD    PHE   59 - QG1   VAL  107   4.27 +/- 0.81  99.765% * 84.6352% (0.49   0.52   2.15) =  99.986%  kept
          HH2   TRP   49 - QG1   VAL  107  15.84 +/- 1.64   0.090% *  6.4834% (0.97   0.02   0.02) =   0.007%
          HE21  GLN   30 - QG1   VAL  107  15.80 +/- 1.09   0.062% *  5.6114% (0.84   0.02   0.02) =   0.004%
          HD1   TRP   27 - QG1   VAL  107  15.59 +/- 1.19   0.083% *  3.2700% (0.49   0.02   0.02) =   0.003%
    Distance limit 3.10 A violated in 12 structures by 1.18 A, kept.
 
    Peak 3189 (7.02, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.85, residual support = 45.5:
          QD    PHE   95 - QG2   VAL  107   2.68 +/- 0.72  99.779% * 99.4871% (0.95   3.85  45.55) = 100.000%  kept
          QE    PHE   72 - QG2   VAL  107   9.35 +/- 1.48   0.181% *  0.0956% (0.18   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL  107  11.08 +/- 0.78   0.040% *  0.4173% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3190 (8.40, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.894, support = 1.83, residual support = 8.42:
          HN    LEU  115 - QG2   VAL  107   3.65 +/- 1.62  91.459% * 71.7967% (0.90   1.85   8.50) =  98.263%  kept
          HN    PHE   97 - QG2   VAL  107   7.68 +/- 0.64   6.256% * 13.0099% (0.90   0.34   5.68) =   1.218%  kept
          HN    ASP- 113 - QG2   VAL  107   6.55 +/- 1.54   2.285% * 15.1934% (0.28   1.26   0.02) =   0.519%  kept
    Distance limit 3.78 A violated in 2 structures by 0.20 A, kept.
 
    Peak 3191 (9.15, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 15.3:
          HN    VAL  108 - QG2   VAL  107   3.34 +/- 0.21  99.485% * 99.3374% (0.57   3.64  15.34) =  99.997%  kept
          HN    VAL   43 - QG2   VAL  107   8.64 +/- 0.74   0.515% *  0.6626% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.35 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3192 (9.57, 1.09, 63.87 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.84, residual support = 58.2:
          HN    VAL  107 - QG1   VAL  107   3.01 +/- 0.41  99.990% * 99.4776% (0.99   3.84  58.23) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.70 +/- 1.19   0.010% *  0.5224% (1.00   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, 63.87 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   8.24 +/- 0.65 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.41 A violated in 20 structures by 4.83 A, eliminated.
    Peak unassigned.
 
    Peak 3194 (8.75, 3.67, 43.34 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 2.2, residual support = 6.4:
      O   HN    ALA  110 - HA2   GLY  109   3.00 +/- 0.33  99.942% * 99.9027% (0.99  10.0   2.20   6.40) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109  11.14 +/- 1.45   0.058% *  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 = 9.19:
      O   HN    GLY  109 - HA2   GLY  109   2.55 +/- 0.21  99.984% * 99.5895% (0.53  10.0   2.20   9.19) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109  12.43 +/- 2.46   0.015% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  18.94 +/- 0.78   0.001% *  0.1893% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  21.03 +/- 2.83   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 = 4.08, residual support = 62.1:
      O   HN    VAL  108 - HB    VAL  108   2.90 +/- 0.47  99.908% * 99.8788% (0.57  10.0   4.08  62.13) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  10.81 +/- 1.17   0.092% *  0.1212% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.64:
          HN    GLY  109 - QG1   VAL  108   2.58 +/- 0.32  99.923% * 89.7984% (0.14   3.09   7.64) =  99.997%  kept
          HN    GLN   90 - QG1   VAL  108   9.47 +/- 1.93   0.066% *  3.7235% (0.87   0.02   0.02) =   0.003%
          HN    ILE  103 - QG1   VAL  108  12.86 +/- 0.68   0.008% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  15.90 +/- 2.69   0.003% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  21.40 +/- 1.29   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 = 62.1:
          HN    VAL  108 - QG1   VAL  108   3.61 +/- 0.05  99.812% * 99.4664% (0.57   4.52  62.13) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  10.51 +/- 0.86   0.188% *  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 = 62.1:
          HN    VAL  108 - QG2   VAL  108   2.70 +/- 0.62  99.740% * 99.4087% (0.57   4.08  62.13) =  99.998%  kept
          HN    VAL   43 - QG2   VAL  108   8.64 +/- 0.90   0.260% *  0.5913% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.794, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108   9.78 +/- 0.86  89.031% * 32.6470% (0.80   0.02   0.02) =  89.969%  kept
          HN    SER   82 - QG2   VAL  108  15.98 +/- 2.50   9.482% * 28.0060% (0.69   0.02   0.02) =   8.219%  kept
          HN    GLY   16 - QG2   VAL  108  19.75 +/- 0.96   1.487% * 39.3470% (0.97   0.02   0.02) =   1.811%  kept
    Distance limit 4.22 A violated in 20 structures by 5.35 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  15.50 +/- 1.17 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.79 A violated in 20 structures by 11.71 A, eliminated.
    Peak unassigned.
 
    Peak 3202 (5.60, 1.03, 20.80 ppm):
    1 chemical-shift based assignment, quality = 0.278, support = 1.42, residual support = 5.46:
          HA    LYS+ 106 - QG2   VAL  108   4.71 +/- 0.12 100.000% *100.0000% (0.28   1.42   5.46) = 100.000%  kept
    Distance limit 3.94 A violated in 4 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 = 315.3:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.39 +/- 0.21  99.238% * 98.2964% (0.69  10.0  1.00   6.56 315.30) = 100.000%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   6.32 +/- 0.76   0.720% *  0.0251% (0.18   1.0  1.00   0.02  28.08) =   0.000%
          HB3   PRO   93 - HB3   LYS+ 111   9.53 +/- 1.31   0.029% *  0.1146% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  12.81 +/- 2.59   0.006% *  0.3568% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  14.24 +/- 2.20   0.003% *  0.1381% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  14.71 +/- 2.09   0.002% *  0.1428% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  17.13 +/- 1.95   0.001% *  0.1195% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  18.15 +/- 1.09   0.001% *  0.1403% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  18.72 +/- 2.73   0.001% *  0.1321% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  23.27 +/- 2.88   0.000% *  0.1937% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  23.51 +/- 3.01   0.000% *  0.1283% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  23.39 +/- 2.67   0.000% *  0.0588% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  25.91 +/- 2.48   0.000% *  0.1094% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  30.17 +/- 2.37   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 = 0.327, support = 3.27, residual support = 27.0:
          HB3   LYS+ 112 - HB3   LYS+ 111   6.28 +/- 1.40  26.034% * 87.4933% (0.31  1.00   3.40  28.08) =  96.024%  kept
          QG2   VAL  107 - HB3   LYS+ 111   4.95 +/- 2.54  73.514% *  1.2745% (0.76  1.00   0.02   0.02) =   3.950%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  14.05 +/- 1.44   0.047% *  8.7744% (0.53 10.00   0.02   0.02) =   0.017%
          QG2   THR   94 - HB3   LYS+ 111   9.85 +/- 1.86   0.390% *  0.4637% (0.28  1.00   0.02   0.02) =   0.008%
          HG13  ILE  103 - HB3   LYS+ 111  16.82 +/- 2.21   0.012% *  1.6640% (1.00  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB3   LYS+ 111  21.10 +/- 1.32   0.003% *  0.3300% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 2 structures by 0.59 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.96, residual support = 315.3:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.93 +/- 0.16  98.916% * 99.9336% (0.97  10.0   6.96 315.30) = 100.000%  kept
          HA    VAL  108 - HB3   LYS+ 111   7.38 +/- 2.02   1.038% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   LYS+ 111  11.28 +/- 1.96   0.046% *  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 = 315.3:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.64 +/- 0.51  99.961% * 99.6823% (0.73  10.0   5.50 315.30) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111  10.72 +/- 1.40   0.034% *  0.0468% (0.34   1.0   0.02   2.19) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  14.76 +/- 1.79   0.004% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  22.02 +/- 2.69   0.000% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  33.36 +/- 2.37   0.000% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.3:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.17 +/- 0.52  99.275% * 99.5678% (1.00  10.0   7.06 315.30) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  11.13 +/- 1.64   0.109% *  0.0834% (0.84   1.0   0.02   2.19) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.60 +/- 1.08   0.123% *  0.0146% (0.15   1.0   0.02   1.58) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   8.49 +/- 0.85   0.467% *  0.0031% (0.03   1.0   0.02   8.21) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  15.45 +/- 1.56   0.012% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  22.84 +/- 2.23   0.001% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  17.42 +/- 2.74   0.006% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  17.73 +/- 1.56   0.005% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  22.55 +/- 1.77   0.001% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  25.51 +/- 1.76   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  26.62 +/- 1.88   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  34.37 +/- 1.60   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 = 315.3:
          HN    LYS+ 111 - HG2   LYS+ 111   3.81 +/- 0.44  99.769% * 94.2716% (0.18   6.51 315.30) =  99.998%  kept
          HN    ILE   56 - HG2   LYS+ 111  11.85 +/- 1.42   0.157% *  0.8047% (0.49   0.02   2.19) =   0.001%
          HN    LEU   63 - HG2   LYS+ 111  16.48 +/- 1.91   0.032% *  1.0027% (0.61   0.02   0.02) =   0.000%
          QE    PHE   60 - HG2   LYS+ 111  16.37 +/- 2.11   0.032% *  0.5103% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  21.53 +/- 4.19   0.005% *  1.4826% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  26.43 +/- 2.21   0.001% *  1.6386% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  22.28 +/- 2.72   0.003% *  0.2895% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 315.3:
          HN    LYS+ 111 - HG3   LYS+ 111   3.34 +/- 0.65  99.327% * 98.0218% (0.65   6.55 315.30) =  99.999%  kept
          HN    ILE   56 - HG3   LYS+ 111  10.93 +/- 2.05   0.166% *  0.4465% (0.97   0.02   2.19) =   0.001%
          HN    LEU   63 - HG3   LYS+ 111  16.18 +/- 2.17   0.026% *  0.4616% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+  74  11.24 +/- 1.57   0.193% *  0.0493% (0.11   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  11.67 +/- 1.10   0.132% *  0.0477% (0.10   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  13.27 +/- 1.63   0.043% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  13.11 +/- 0.82   0.046% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  13.93 +/- 2.94   0.044% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  16.93 +/- 2.29   0.016% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  22.18 +/- 2.94   0.002% *  0.2993% (0.65   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  21.79 +/- 4.16   0.002% *  0.1736% (0.38   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  26.58 +/- 2.13   0.001% *  0.2619% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  21.30 +/- 0.77   0.003% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  34.73 +/- 1.80   0.000% *  0.1154% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.67, residual support = 31.9:
          HN    VAL   75 - HG2   LYS+  74   3.06 +/- 0.66  99.833% * 92.7457% (0.09   5.67  31.88) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.08 +/- 1.37   0.162% *  0.4049% (0.11   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  19.11 +/- 1.63   0.003% *  3.0608% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  21.20 +/- 2.26   0.002% *  3.7886% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.76, support = 0.795, residual support = 2.38:
        T HB2   LEU  115 - HA    LYS+ 112   2.75 +/- 0.50  95.025% * 68.4103% (0.76 10.00   0.75   2.24) =  98.867%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.42 +/- 0.38   2.557% * 15.3999% (0.18  1.00   7.37  28.08) =   0.599%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.61 +/- 0.52   2.296% * 15.2732% (0.73  1.00   1.76   0.02) =   0.533%  kept
          HG3   PRO   58 - HA    LYS+ 112   9.38 +/- 2.00   0.113% *  0.1911% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LYS+ 112  17.70 +/- 2.37   0.003% *  0.0896% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 112  20.24 +/- 2.86   0.001% *  0.2071% (0.87  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  22.10 +/- 1.65   0.001% *  0.1911% (0.80  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  18.21 +/- 1.87   0.003% *  0.0418% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  22.45 +/- 2.22   0.001% *  0.0531% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  23.60 +/- 1.79   0.000% *  0.0531% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  30.86 +/- 1.78   0.000% *  0.0896% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.82, residual support = 8.53:
        T QD1   ILE   56 - HA    LYS+ 112   4.67 +/- 2.13  96.928% * 99.7136% (0.84 10.00   1.82   8.53) =  99.998%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.15 +/- 0.99   1.365% *  0.1214% (0.92  1.00   0.02   0.02) =   0.002%
          QD2   LEU  123 - HA    LYS+ 112  12.07 +/- 1.37   1.493% *  0.0366% (0.28  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HA    LYS+ 112  17.44 +/- 1.44   0.180% *  0.0744% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  23.96 +/- 2.27   0.035% *  0.0540% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 8 structures by 1.53 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.944, support = 1.3, residual support = 2.17:
          QD    PHE   55 - HA    LYS+ 112   5.70 +/- 1.90  78.031% * 96.0399% (0.95   1.31   2.18) =  99.744%  kept
          QE    PHE   95 - HA    LYS+ 112   7.70 +/- 1.95  21.767% *  0.8798% (0.57   0.02   0.02) =   0.255%
          HN    LEU   67 - HA    LYS+ 112  16.68 +/- 2.02   0.147% *  0.3075% (0.20   0.02   0.02) =   0.001%
          HE3   TRP   27 - HA    LYS+ 112  22.47 +/- 1.88   0.027% *  1.5232% (0.98   0.02   0.02) =   0.001%
          HN    THR   23 - HA    LYS+ 112  25.59 +/- 1.39   0.012% *  0.8176% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+ 112  25.11 +/- 1.72   0.016% *  0.4321% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 15 structures by 2.08 A, eliminated.
    Peak unassigned.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 231.9:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.79 +/- 0.04  99.986% * 99.7200% (0.92  10.0   5.74 231.94) = 100.000%  kept
          HN    MET   92 - HA    LYS+ 112  14.30 +/- 1.82   0.010% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HA    LYS+ 112  15.96 +/- 1.01   0.003% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  19.74 +/- 1.52   0.001% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  39.51 +/- 2.51   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 = 231.9:
          HN    LYS+ 112 - HG2   LYS+ 112   3.68 +/- 0.44  99.987% * 98.9762% (0.41   6.22 231.94) = 100.000%  kept
          HN    VAL   75 - HG2   LYS+ 112  18.55 +/- 2.28   0.010% *  0.2390% (0.31   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG2   LYS+ 112  21.47 +/- 1.97   0.004% *  0.5918% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  40.39 +/- 3.14   0.000% *  0.1931% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.74, support = 0.02, residual support = 0.02:
          QE    PHE   59 - HG2   LYS+ 112   8.31 +/- 2.01  44.056% * 30.2011% (0.90   0.02   0.02) =  57.402%  kept
          HN    PHE   59 - HG2   LYS+ 112   8.27 +/- 2.69  50.732% * 17.7173% (0.53   0.02   0.02) =  38.777%  kept
          QD    PHE   60 - HG2   LYS+ 112  12.22 +/- 2.22   4.408% * 15.0977% (0.45   0.02   0.02) =   2.871%  kept
          HN    LYS+  66 - HG2   LYS+ 112  16.44 +/- 2.70   0.686% * 31.0863% (0.92   0.02   0.02) =   0.920%  kept
          HN    LYS+  81 - HG2   LYS+ 112  26.06 +/- 2.18   0.117% *  5.8976% (0.18   0.02   0.02) =   0.030%
    Distance limit 4.01 A violated in 18 structures by 3.02 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 = 231.9:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.39 +/- 0.26  99.973% * 93.9398% (0.20  10.0 10.00   4.59 231.94) =  99.999%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.13 +/- 2.73   0.025% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HG2   LYS+ 112  18.95 +/- 1.84   0.001% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  16.84 +/- 2.17   0.001% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  26.14 +/- 2.57   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  32.86 +/- 2.58   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  33.59 +/- 2.99   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 = 231.9:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.91 +/- 0.37  99.941% * 93.9398% (0.20  10.0 10.00   4.65 231.94) =  99.998%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.60 +/- 2.32   0.049% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - HG3   LYS+ 112  16.91 +/- 2.02   0.008% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   LYS+ 112  19.05 +/- 1.60   0.002% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  26.03 +/- 2.77   0.001% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  33.10 +/- 2.25   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  33.94 +/- 2.39   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 = 0.364, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG3   LYS+ 112   9.56 +/- 2.36  93.582% *  6.9459% (0.28   0.02   0.02) =  83.764%  kept
          HN    LEU   67 - HG3   LYS+ 112  18.32 +/- 2.19   3.434% * 17.1603% (0.69   0.02   0.02) =   7.594%  kept
          HD1   TRP   49 - HG3   LYS+ 112  20.04 +/- 1.87   2.020% * 24.1093% (0.97   0.02   0.02) =   6.275%  kept
          HD2   HIS   22 - HG3   LYS+ 112  24.84 +/- 2.35   0.562% * 24.9820% (1.00   0.02   0.02) =   1.809%  kept
          HN    THR   23 - HG3   LYS+ 112  26.98 +/- 2.09   0.294% *  7.7106% (0.31   0.02   0.02) =   0.292%
          HD21  ASN   35 - HG3   LYS+ 112  31.78 +/- 2.94   0.109% * 19.0919% (0.76   0.02   0.02) =   0.267%
    Distance limit 4.14 A violated in 20 structures by 5.29 A, eliminated.
    Peak unassigned.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.94, residual support = 231.9:
          HN    LYS+ 112 - HG3   LYS+ 112   3.21 +/- 0.61  99.993% * 98.9284% (0.41   5.94 231.94) = 100.000%  kept
          HN    VAL   75 - HG3   LYS+ 112  18.77 +/- 2.03   0.005% *  0.2502% (0.31   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 112  21.53 +/- 1.90   0.002% *  0.6194% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  40.87 +/- 2.95   0.000% *  0.2021% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.76, residual support = 231.9:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.41 +/- 0.15  99.979% * 95.1769% (0.20  10.0  1.00   3.76 231.94) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  11.37 +/- 2.90   0.019% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  19.38 +/- 1.78   0.000% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  17.32 +/- 2.07   0.001% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  26.41 +/- 3.07   0.000% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  33.29 +/- 2.37   0.000% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  33.97 +/- 2.79   0.000% *  0.2156% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.53, residual support = 231.9:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.65 +/- 0.21  99.988% * 99.7845% (0.85  10.0   5.53 231.94) = 100.000%  kept
          QG1   VAL   42 - HD3   LYS+ 112  14.34 +/- 2.13   0.006% *  0.1103% (0.94   1.0   0.02   0.02) =   0.000%
          QB    ALA   47 - HD3   LYS+ 112  14.52 +/- 1.78   0.006% *  0.1053% (0.89   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 = 231.9:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.34 +/- 0.13  99.980% * 98.0934% (0.19  10.0   2.96 231.94) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  11.03 +/- 2.80   0.019% *  0.4913% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  19.12 +/- 2.01   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  17.27 +/- 2.20   0.001% *  0.0981% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  26.47 +/- 3.06   0.000% *  0.4140% (0.79   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  33.08 +/- 2.48   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  33.61 +/- 3.08   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 = 231.9:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.39 +/- 0.26  99.902% * 99.5374% (0.75  10.0 10.00   4.59 231.94) = 100.000%  kept
        T HG2   LYS+ 112 - HB3   ASP-  62  11.13 +/- 2.73   0.025% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - QE    LYS+ 112  12.30 +/- 2.47   0.011% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   8.97 +/- 0.86   0.051% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  12.37 +/- 1.49   0.009% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  15.16 +/- 0.78   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 = 0.437, support = 1.44, residual support = 8.47:
          QD1   ILE   56 - QE    LYS+ 112   4.75 +/- 2.19  73.989% * 84.2262% (0.44   1.45   8.53) =  99.279%  kept
          QG2   VAL   18 - HB3   ASP-  62   8.01 +/- 0.99   7.631% *  5.2758% (0.07   0.57   0.02) =   0.641%  kept
          QD1   ILE   56 - HB3   ASP-  62   6.82 +/- 0.70  15.209% *  0.2378% (0.09   0.02   0.02) =   0.058%
          QG2   THR   46 - QE    LYS+ 112  11.24 +/- 2.46   0.628% *  0.6818% (0.26   0.02   0.02) =   0.007%
          QG2   VAL   18 - QE    LYS+ 112  12.98 +/- 2.92   0.231% *  0.9081% (0.34   0.02   0.02) =   0.003%
          QG2   THR   46 - HB3   ASP-  62  11.00 +/- 1.48   1.409% *  0.1395% (0.05   0.02   0.02) =   0.003%
          QD2   LEU   73 - HB3   ASP-  62  12.78 +/- 1.05   0.391% *  0.3619% (0.14   0.02   0.02) =   0.002%
          QG1   VAL   43 - QE    LYS+ 112  14.94 +/- 2.15   0.094% *  1.4290% (0.54   0.02   0.02) =   0.002%
          QD2   LEU   73 - QE    LYS+ 112  16.16 +/- 2.06   0.050% *  1.7688% (0.67   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB3   ASP-  62  13.63 +/- 0.68   0.228% *  0.2924% (0.11   0.02   0.02) =   0.001%
          QG1   VAL   41 - QE    LYS+ 112  18.13 +/- 2.15   0.028% *  1.8450% (0.70   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB3   ASP-  62  15.83 +/- 0.77   0.088% *  0.3775% (0.14   0.02   0.02) =   0.001%
          HG    LEU   31 - QE    LYS+ 112  22.72 +/- 2.74   0.008% *  2.0391% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  20.69 +/- 1.21   0.018% *  0.4172% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 10 structures by 1.05 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 231.9:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.91 +/- 0.37  90.004% * 99.5398% (0.81  10.0 10.00   4.65 231.94) =  99.998%  kept
          HG    LEU   63 - HB3   ASP-  62   4.85 +/- 0.94   9.718% *  0.0189% (0.15   1.0  1.00   0.02  42.46) =   0.002%
          HG    LEU   63 - QE    LYS+ 112  10.55 +/- 3.13   0.169% *  0.0925% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB3   ASP-  62  11.60 +/- 2.32   0.043% *  0.2037% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  10.83 +/- 0.95   0.046% *  0.0257% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QE    LYS+ 112  21.03 +/- 2.14   0.001% *  0.0788% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  13.82 +/- 1.22   0.012% *  0.0053% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.77 +/- 2.04   0.002% *  0.0159% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  20.97 +/- 1.45   0.001% *  0.0161% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  16.40 +/- 1.53   0.004% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.493, support = 0.0199, residual support = 0.0199:
        T QG2   VAL  107 - QE    LYS+ 112   6.99 +/- 1.80  28.224% * 59.7816% (0.51 10.00   0.02   0.02) =  89.679%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.09 +/- 2.44  19.380% *  6.3761% (0.54  1.00   0.02   0.02) =   6.568%  kept
          HG13  ILE  119 - HB3   ASP-  62   6.10 +/- 1.41  47.196% *  1.3045% (0.11  1.00   0.02   0.02) =   3.272%  kept
          QG2   VAL  107 - HB3   ASP-  62   9.21 +/- 1.33   4.270% *  1.2231% (0.10  1.00   0.02   0.02) =   0.278%
          HG2   LYS+ 121 - QE    LYS+ 112  14.80 +/- 1.27   0.181% *  8.2327% (0.70  1.00   0.02   0.02) =   0.079%
          QB    ALA   20 - QE    LYS+ 112  17.32 +/- 2.45   0.117% *  9.8344% (0.83  1.00   0.02   0.02) =   0.061%
          QB    ALA   20 - HB3   ASP-  62  14.29 +/- 1.33   0.300% *  2.0121% (0.17  1.00   0.02   0.02) =   0.032%
          HG2   LYS+ 121 - HB3   ASP-  62  14.82 +/- 1.86   0.197% *  1.6844% (0.14  1.00   0.02   0.02) =   0.018%
          HG13  ILE  103 - QE    LYS+ 112  18.52 +/- 1.66   0.056% *  1.9506% (0.17  1.00   0.02   0.02) =   0.006%
          HB3   LEU   31 - QE    LYS+ 112  23.87 +/- 2.62   0.014% *  5.9782% (0.51  1.00   0.02   0.02) =   0.004%
          HB3   LEU   31 - HB3   ASP-  62  21.71 +/- 1.08   0.019% *  1.2231% (0.10  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB3   ASP-  62  18.71 +/- 1.15   0.045% *  0.3991% (0.03  1.00   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 18 structures by 1.98 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.718, support = 0.746, residual support = 2.16:
          QD    PHE   55 - QE    LYS+ 112   4.64 +/- 1.79  74.132% * 83.9668% (0.72   0.75   2.18) =  99.005%  kept
          QE    PHE   95 - HB3   ASP-  62   7.74 +/- 1.15   9.154% *  4.0015% (0.17   0.16   0.02) =   0.583%  kept
          QE    PHE   95 - QE    LYS+ 112   8.13 +/- 2.36   9.117% *  2.5231% (0.82   0.02   0.02) =   0.366%
          HN    LEU   67 - HB3   ASP-  62   7.79 +/- 0.49   6.154% *  0.3407% (0.11   0.02   0.02) =   0.033%
          QD    PHE   55 - HB3   ASP-  62  10.23 +/- 1.04   1.178% *  0.4568% (0.15   0.02   0.02) =   0.009%
          HN    LEU   67 - QE    LYS+ 112  15.14 +/- 3.10   0.098% *  1.6652% (0.54   0.02   0.02) =   0.003%
          HD1   TRP   49 - QE    LYS+ 112  17.62 +/- 1.73   0.034% *  0.7945% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   27 - QE    LYS+ 112  21.00 +/- 2.57   0.011% *  2.0612% (0.67   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  23.30 +/- 2.42   0.006% *  2.4842% (0.81   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  19.37 +/- 1.12   0.027% *  0.4217% (0.14   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  21.65 +/- 1.20   0.015% *  0.5083% (0.16   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  21.24 +/- 2.89   0.010% *  0.5094% (0.17   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  18.92 +/- 1.70   0.043% *  0.1042% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  21.49 +/- 1.61   0.020% *  0.1626% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 7 structures by 0.93 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 21.8:
          HN    GLU- 114 - QB    ASP- 113   2.56 +/- 0.16  98.221% * 98.0117% (0.84   3.30  21.79) =  99.988%  kept
          HN    GLN  116 - QB    ASP- 113   5.21 +/- 0.14   1.476% *  0.6972% (0.98   0.02   1.50) =   0.011%
          HN    THR  118 - QB    ASP- 113   7.06 +/- 0.57   0.296% *  0.5695% (0.80   0.02   0.02) =   0.002%
          HN    PHE   60 - QB    ASP- 113  12.93 +/- 0.83   0.007% *  0.4027% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  21.05 +/- 1.27   0.000% *  0.3189% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 14.3:
      O   HN    ASP- 113 - QB    ASP- 113   2.11 +/- 0.08  99.999% * 99.9821% (0.98  10.0   3.42  14.27) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  15.36 +/- 1.52   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 = 0.412, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   9.25 +/- 1.22  96.860% * 39.4133% (0.41 10.00   0.02   0.02) =  98.651%  kept
        T HB3   LYS+  99 - HA    ASP- 113  21.76 +/- 1.73   0.873% * 50.4393% (0.53 10.00   0.02   0.02) =   1.138%  kept
          HB    ILE   89 - HA    ASP- 113  21.93 +/- 2.49   0.691% *  8.8499% (0.92  1.00   0.02   0.02) =   0.158%
          HB    VAL   43 - HA    ASP- 113  19.50 +/- 1.23   1.576% *  1.2975% (0.14  1.00   0.02   0.02) =   0.053%
    Distance limit 3.60 A violated in 20 structures by 5.64 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.794, support = 4.02, residual support = 49.7:
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.04  59.980% * 54.6259% (0.84  10.0   3.64  44.48) =  88.263%  kept
      O   HN    GLN  116 - HA    LEU  115   3.62 +/- 0.03  13.065% * 29.5014% (0.45  10.0   7.44 100.94) =  10.383%  kept
          HN    GLN  116 - HA    GLU- 114   4.53 +/- 0.40   3.995% *  9.8501% (0.98   1.0   3.07   0.27) =   1.060%  kept
          HN    GLU- 114 - HA    LEU  115   5.07 +/- 0.09   1.738% *  5.8492% (0.38   1.0   4.65  16.14) =   0.274%
          HN    THR  118 - HA    GLU- 114   4.14 +/- 0.56   8.415% *  0.0524% (0.80   1.0   0.02   0.02) =   0.012%
          HN    THR  118 - HA    LEU  115   3.68 +/- 0.19  12.677% *  0.0241% (0.37   1.0   0.02   0.02) =   0.008%
          HN    PHE   60 - HA    LEU  115   8.30 +/- 0.89   0.119% *  0.0170% (0.26   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.84 +/- 0.73   0.007% *  0.0370% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.42 +/- 1.57   0.002% *  0.0135% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.89 +/- 1.26   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 = 0.571, support = 6.83, residual support = 158.8:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.04  79.642% * 31.4756% (0.41  10.0   7.74 227.98) =  67.330%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.57 +/- 0.04  17.784% * 68.3936% (0.90  10.0   4.95  16.14) =  32.668%  kept
          HN    ASP- 113 - HA    GLU- 114   5.11 +/- 0.12   2.081% *  0.0212% (0.28   1.0   0.02  21.79) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.61 +/- 0.25   0.448% *  0.0098% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.57 +/- 1.75   0.035% *  0.0315% (0.41   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.75 +/- 1.29   0.010% *  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 = 3.91, residual support = 44.5:
      O   HN    GLU- 114 - QB    GLU- 114   2.18 +/- 0.14  98.346% * 99.6664% (0.81  10.0   3.91  44.48) =  99.998%  kept
          HN    THR  118 - QB    GLU- 114   4.88 +/- 0.46   1.060% *  0.0955% (0.77   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - QB    GLU- 114   5.22 +/- 0.31   0.587% *  0.1170% (0.95   1.0   0.02   0.27) =   0.001%
          HN    PHE   60 - QB    GLU- 114  11.36 +/- 0.95   0.006% *  0.0676% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  17.97 +/- 1.15   0.000% *  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 = 0.843, support = 4.81, residual support = 16.4:
          HN    LEU  115 - QB    GLU- 114   3.27 +/- 0.35  83.873% * 82.7024% (0.87   4.87  16.14) =  96.222%  kept
          HN    ASP- 113 - QB    GLU- 114   4.42 +/- 0.19  16.058% * 16.9582% (0.27   3.22  21.79) =   3.777%  kept
          HN    PHE   97 - QB    GLU- 114  10.91 +/- 1.24   0.069% *  0.3394% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.839, support = 4.4, residual support = 42.5:
          HN    GLU- 114 - QG    GLU- 114   2.80 +/- 0.29  88.619% * 51.7150% (0.83   4.45  44.48) =  95.592%  kept
          HN    GLN  116 - QG    GLU- 114   4.92 +/- 0.68   4.391% * 47.7794% (0.98   3.50   0.27) =   4.376%  kept
          HN    THR  118 - QG    GLU- 114   4.63 +/- 0.68   6.936% *  0.2230% (0.80   0.02   0.02) =   0.032%
          HN    PHE   60 - QG    GLU- 114  10.35 +/- 1.54   0.052% *  0.1577% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  17.14 +/- 1.52   0.002% *  0.1249% (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 = 5.44, residual support = 16.1:
          HN    LEU  115 - QG    GLU- 114   2.76 +/- 0.91  99.880% * 98.4500% (0.45   5.44  16.14) = 100.000%  kept
          HN    PHE   97 - QG    GLU- 114  10.30 +/- 1.59   0.119% *  0.3619% (0.45   0.02   0.02) =   0.000%
          HN    ASN   35 - QG    GLU- 114  22.78 +/- 1.72   0.001% *  0.4246% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  32.64 +/- 2.32   0.000% *  0.7635% (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 = 0.975, support = 0.692, residual support = 5.42:
          QG1   VAL  107 - QG    GLU- 114   2.94 +/- 1.39  92.645% * 74.9779% (0.98   0.70   5.54) =  97.914%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.48 +/- 1.47   6.841% * 21.5981% (0.83   0.24   0.02) =   2.083%  kept
          HG13  ILE  119 - QG    GLU- 114   7.73 +/- 1.46   0.508% *  0.4855% (0.22   0.02   0.02) =   0.003%
          QG1   VAL   24 - QG    GLU- 114  18.69 +/- 2.35   0.002% *  2.0130% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  18.55 +/- 1.83   0.003% *  0.3819% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  19.97 +/- 1.80   0.001% *  0.5437% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 1.74, residual support = 5.54:
        T QG2   VAL  107 - QB    GLU- 114   3.64 +/- 1.06  95.440% * 99.3804% (0.59 10.00   1.74   5.54) =  99.993%  kept
          HG2   LYS+ 121 - QB    GLU- 114   9.85 +/- 1.41   3.563% *  0.1576% (0.81  1.00   0.02   0.02) =   0.006%
          HG13  ILE  119 - QB    GLU- 114   8.44 +/- 0.93   0.922% *  0.1220% (0.62  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - QB    GLU- 114  12.98 +/- 1.02   0.061% *  0.0373% (0.19  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    GLU- 114  18.83 +/- 0.85   0.010% *  0.1882% (0.96  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  20.74 +/- 1.14   0.004% *  0.1144% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 2 structures by 0.69 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.35, residual support = 228.0:
      O T HA    LEU  115 - HB3   LEU  115   2.37 +/- 0.29  99.254% * 97.8960% (0.92  10.0 10.00   6.35 227.98) =  99.997%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.24 +/- 0.30   0.514% *  0.4755% (0.45   1.0 10.00   0.02  16.14) =   0.003%
        T HA    ARG+  54 - HB3   LEU  115  11.46 +/- 1.20   0.013% *  0.8858% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   7.43 +/- 0.42   0.163% *  0.0100% (0.09   1.0  1.00   0.02   0.12) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  15.65 +/- 1.72   0.002% *  0.1149% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  13.39 +/- 2.36   0.020% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  10.36 +/- 1.52   0.023% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.46 +/- 0.69   0.001% *  0.0770% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  18.47 +/- 1.44   0.001% *  0.0558% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.45 +/- 0.65   0.003% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  22.92 +/- 1.20   0.000% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.51 +/- 0.59   0.001% *  0.0218% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  22.94 +/- 1.72   0.000% *  0.1003% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  22.53 +/- 1.90   0.000% *  0.0849% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  22.50 +/- 2.49   0.000% *  0.0643% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.14 +/- 0.19   0.005% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  21.78 +/- 1.47   0.000% *  0.0327% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.70 +/- 1.38   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  28.89 +/- 1.94   0.000% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  24.99 +/- 1.55   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 = 6.15, residual support = 228.0:
      O T QD1   LEU  115 - HB3   LEU  115   2.58 +/- 0.40  99.982% * 99.7570% (0.87  10.0 10.00   6.15 227.98) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  13.94 +/- 1.20   0.009% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  14.95 +/- 1.47   0.005% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  14.64 +/- 0.56   0.005% *  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 = 7.34, residual support = 228.0:
      O T QD2   LEU  115 - HB3   LEU  115   2.72 +/- 0.37  92.739% * 98.9032% (0.45  10.0 10.00   7.34 227.98) =  99.994%  kept
          QD1   LEU   63 - HB3   LEU  115   5.99 +/- 1.57   2.181% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB3   LEU  115   7.66 +/- 1.58   0.747% *  0.2036% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB3   LEU   40   5.63 +/- 1.11   2.675% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   40   6.34 +/- 0.35   0.814% *  0.0097% (0.04   1.0  1.00   0.02  19.67) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   7.75 +/- 1.28   0.280% *  0.0239% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   8.69 +/- 1.01   0.131% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   8.83 +/- 0.71   0.114% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.56 +/- 0.66   0.279% *  0.0058% (0.03   1.0  1.00   0.02  10.42) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  13.50 +/- 2.01   0.011% *  0.1160% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  15.52 +/- 1.10   0.003% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  13.99 +/- 1.83   0.008% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  14.35 +/- 2.08   0.007% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  15.09 +/- 1.64   0.004% *  0.0828% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  18.00 +/- 1.60   0.001% *  0.0907% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  18.48 +/- 1.86   0.001% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  16.64 +/- 2.28   0.003% *  0.0106% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  17.97 +/- 2.41   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 = 0.951, support = 7.87, residual support = 95.4:
          HN    GLN  116 - HB3   LEU  115   3.78 +/- 0.64  39.142% * 69.0707% (0.98   8.19 100.94) =  93.860%  kept
          HN    GLU- 114 - HB3   LEU  115   5.44 +/- 0.47   4.054% * 25.4128% (0.84   3.54  16.14) =   3.576%  kept
          HN    LEU   71 - HB3   LEU   40   3.59 +/- 1.14  51.280% *  1.1660% (0.05   2.58   1.78) =   2.076%  kept
          HN    THR  118 - HB3   LEU  115   5.72 +/- 0.24   3.365% *  4.1118% (0.80   0.60   0.02) =   0.480%
          HN    PHE   60 - HB3   LEU  115   7.13 +/- 1.40   2.122% *  0.0974% (0.57   0.02   0.02) =   0.007%
          HN    LEU   71 - HB3   LEU  115  17.22 +/- 1.76   0.006% *  0.0771% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  14.73 +/- 1.34   0.014% *  0.0162% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  14.99 +/- 0.94   0.009% *  0.0114% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  17.73 +/- 1.72   0.005% *  0.0198% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  20.17 +/- 1.51   0.002% *  0.0169% (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 = 228.0:
      O   HN    LEU  115 - HB3   LEU  115   3.01 +/- 0.41  98.372% * 99.8421% (0.90  10.0   7.49 227.98) =  99.999%  kept
          HN    ASP- 113 - HB3   LEU  115   6.13 +/- 0.75   1.427% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU  115  12.17 +/- 1.98   0.042% *  0.0998% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.32 +/- 0.68   0.155% *  0.0117% (0.11   1.0   0.02   1.59) =   0.000%
          HN    LEU  115 - HB3   LEU   40  18.26 +/- 1.63   0.003% *  0.0117% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  21.92 +/- 1.60   0.001% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.07 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   2.75 +/- 0.50  99.963% * 99.6055% (0.69 10.00   0.75   2.24) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  13.03 +/- 1.26   0.019% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  13.26 +/- 1.42   0.018% *  0.0765% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  24.43 +/- 1.68   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 = 0.933, support = 1.79, residual support = 5.74:
          QE    PHE   95 - HB2   LEU  115   5.70 +/- 1.85  63.486% * 43.0116% (0.98   1.50   6.26) =  57.816%  kept
          QD    PHE   55 - HB2   LEU  115   6.67 +/- 1.69  36.037% * 55.2804% (0.87   2.18   5.02) =  42.180%  kept
          HN    LEU   67 - HB2   LEU  115  14.84 +/- 1.70   0.358% *  0.3785% (0.65   0.02   0.02) =   0.003%
          HE3   TRP   27 - HB2   LEU  115  20.42 +/- 1.78   0.036% *  0.4685% (0.80   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU  115  19.70 +/- 1.71   0.046% *  0.1806% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  23.82 +/- 1.49   0.013% *  0.5646% (0.97   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  22.09 +/- 1.87   0.024% *  0.1158% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 12 structures by 1.32 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.783, support = 7.28, residual support = 97.8:
          HN    GLN  116 - HB2   LEU  115   3.21 +/- 0.35  83.261% * 80.3461% (0.80   7.41 100.94) =  96.245%  kept
          HN    GLU- 114 - HB2   LEU  115   4.52 +/- 0.48  13.679% * 19.0212% (0.34   4.12  16.14) =   3.743%  kept
          HN    THR  118 - HB2   LEU  115   5.83 +/- 0.22   2.535% *  0.2655% (0.98   0.02   0.02) =   0.010%
          HN    PHE   60 - HB2   LEU  115   8.13 +/- 1.24   0.525% *  0.2655% (0.98   0.02   0.02) =   0.002%
          HN    GLU-  15 - HB2   LEU  115  25.27 +/- 1.96   0.000% *  0.1017% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 7.38, residual support = 228.0:
      O   HN    LEU  115 - HB2   LEU  115   2.21 +/- 0.39  99.173% * 99.8692% (0.90  10.0   7.38 227.98) = 100.000%  kept
          HN    ASP- 113 - HB2   LEU  115   5.07 +/- 0.60   0.820% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   LEU  115  12.92 +/- 1.87   0.007% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.495, support = 5.45, residual support = 70.6:
      O   HN    GLU- 114 - HA    GLU- 114   2.81 +/- 0.04  59.926% * 15.7759% (0.19  10.0   3.64  44.48) =  50.715%  kept
      O   HN    GLN  116 - HA    LEU  115   3.62 +/- 0.03  13.053% * 67.6637% (0.82  10.0   7.44 100.94) =  47.381%  kept
          HN    GLU- 114 - HA    LEU  115   5.07 +/- 0.09   1.737% * 13.4157% (0.70   1.0   4.65  16.14) =   1.250%  kept
          HN    GLN  116 - HA    GLU- 114   4.53 +/- 0.40   3.992% *  2.8447% (0.22   1.0   3.07   0.27) =   0.609%  kept
          HN    THR  118 - HA    LEU  115   3.68 +/- 0.19  12.665% *  0.0553% (0.67   1.0   0.02   0.02) =   0.038%
          HN    THR  118 - HA    GLU- 114   4.14 +/- 0.56   8.408% *  0.0151% (0.18   1.0   0.02   0.02) =   0.007%
          HN    PHE   60 - HA    LEU  115   8.30 +/- 0.89   0.119% *  0.0391% (0.47   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    ARG+  54   8.70 +/- 0.84   0.081% *  0.0219% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  14.33 +/- 1.50   0.004% *  0.0379% (0.46   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  15.05 +/- 1.11   0.003% *  0.0323% (0.39   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.84 +/- 0.73   0.007% *  0.0107% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  16.65 +/- 1.71   0.002% *  0.0310% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.42 +/- 1.57   0.002% *  0.0309% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  21.57 +/- 1.11   0.000% *  0.0174% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.89 +/- 1.26   0.001% *  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 = 0.718, support = 7.58, residual support = 215.8:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.04  79.632% * 78.3350% (0.75  10.0   7.74 227.98) =  94.242%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.57 +/- 0.04  17.781% * 21.4329% (0.20  10.0   4.95  16.14) =   5.758%  kept
          HN    ASP- 113 - HA    GLU- 114   5.11 +/- 0.12   2.081% *  0.0066% (0.06   1.0   0.02  21.79) =   0.000%
          HN    ASP- 113 - HA    LEU  115   6.61 +/- 0.25   0.448% *  0.0243% (0.23   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.57 +/- 1.75   0.035% *  0.0783% (0.75   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  13.49 +/- 1.14   0.007% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.75 +/- 1.29   0.010% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  14.52 +/- 1.09   0.004% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.05 +/- 1.06   0.001% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 228.0:
          HN    LEU  115 - HG    LEU  115   3.88 +/- 0.68  91.229% * 99.4440% (0.78   7.49 227.98) =  99.992%  kept
          HN    ASP- 113 - HG    LEU  115   6.35 +/- 0.99   5.017% *  0.0823% (0.24   0.02   0.02) =   0.005%
          HN    PHE   97 - HG    LEU   40   7.32 +/- 0.94   3.615% *  0.0901% (0.26   0.02   1.59) =   0.004%
          HN    PHE   97 - HG    LEU  115  13.20 +/- 2.11   0.113% *  0.2654% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  16.76 +/- 1.69   0.019% *  0.0901% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  20.45 +/- 1.60   0.006% *  0.0279% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.39 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  10.39 +/- 0.94 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.76 A violated in 20 structures by 6.63 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.833, support = 1.79, residual support = 5.39:
          QD    PHE   55 - QD1   LEU  115   4.74 +/- 1.60  52.415% * 67.1031% (0.95   1.92   5.02) =  70.382%  kept
          QE    PHE   95 - QD1   LEU  115   4.81 +/- 1.92  47.089% * 31.4296% (0.57   1.50   6.26) =  29.616%  kept
          HN    LEU   67 - QD1   LEU  115  11.61 +/- 0.91   0.450% *  0.1465% (0.20   0.02   0.02) =   0.001%
          HE3   TRP   27 - QD1   LEU  115  16.96 +/- 1.86   0.026% *  0.7255% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  19.46 +/- 1.91   0.011% *  0.3894% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  19.85 +/- 1.86   0.010% *  0.2058% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 9 structures by 0.85 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.5, residual support = 30.1:
          QD    PHE   59 - QD1   LEU  115   3.10 +/- 0.60  99.970% * 98.7272% (0.95   4.50  30.07) = 100.000%  kept
          HH2   TRP   49 - QD1   LEU  115  14.99 +/- 2.23   0.021% *  0.3871% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - QD1   LEU  115  17.64 +/- 1.98   0.006% *  0.4473% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  18.24 +/- 2.02   0.004% *  0.4384% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.08, residual support = 6.26:
          QD    PHE   95 - QD2   LEU  115   5.06 +/- 2.01  98.197% * 99.4125% (0.84   1.08   6.26) =  99.989%  kept
          HN    ALA   47 - QD2   LEU  115  12.57 +/- 1.46   1.803% *  0.5875% (0.27   0.02   0.02) =   0.011%
    Distance limit 3.37 A violated in 12 structures by 1.86 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.893, support = 2.81, residual support = 30.1:
          QE    PHE   59 - QD2   LEU  115   2.91 +/- 1.04  80.431% * 83.0045% (0.89   2.92  30.07) =  95.601%  kept
          HN    PHE   59 - QD2   LEU  115   5.01 +/- 1.09  18.940% * 16.2117% (0.93   0.55  30.07) =   4.397%  kept
          HN    HIS  122 - QD2   LEU  115   7.67 +/- 0.58   0.468% *  0.2763% (0.43   0.02   0.02) =   0.002%
          HN    LYS+  66 - QD2   LEU  115   9.69 +/- 1.10   0.158% *  0.2763% (0.43   0.02   0.02) =   0.001%
          HH2   TRP   87 - QD2   LEU  115  18.21 +/- 3.10   0.003% *  0.2313% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 3 structures by 0.33 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 3.96, residual support = 14.6:
        T QD1   ILE  119 - HA    GLN  116   3.46 +/- 0.78  99.073% * 99.5742% (0.61 10.00   3.96  14.58) = 100.000%  kept
          QD1   LEU   67 - HA    GLN  116  11.26 +/- 2.46   0.511% *  0.0560% (0.34  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  12.50 +/- 1.73   0.113% *  0.0616% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  11.09 +/- 0.54   0.164% *  0.0325% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  14.01 +/- 1.93   0.064% *  0.0507% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  13.37 +/- 1.08   0.060% *  0.0409% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  18.90 +/- 1.30   0.007% *  0.1553% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  17.99 +/- 1.54   0.008% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 3 structures by 0.47 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 100.9:
          QD2   LEU  115 - HA    GLN  116   2.51 +/- 0.83  86.781% * 98.5626% (0.92   6.30 100.94) =  99.956%  kept
          QD1   LEU   63 - HA    GLN  116   6.28 +/- 1.56   9.866% *  0.3322% (0.98   0.02   0.02) =   0.038%
          QD2   LEU   63 - HA    GLN  116   6.76 +/- 1.53   3.342% *  0.1519% (0.45   0.02   0.02) =   0.006%
          QD1   LEU  104 - HA    GLN  116  12.98 +/- 1.72   0.009% *  0.2328% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  17.04 +/- 1.17   0.001% *  0.3322% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  20.94 +/- 1.58   0.000% *  0.3039% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  21.48 +/- 2.58   0.000% *  0.0845% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 1 structures by 0.11 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.47, residual support = 14.6:
          HN    ILE  119 - HA    GLN  116   3.19 +/- 0.18  99.997% * 97.1249% (0.57   2.47  14.58) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  21.58 +/- 1.49   0.001% *  1.3403% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  22.70 +/- 2.15   0.001% *  0.4737% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  25.72 +/- 1.75   0.000% *  0.7863% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  25.66 +/- 1.92   0.000% *  0.2748% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 6.98, residual support = 122.7:
      O   HN    GLN  116 - HA    GLN  116   2.77 +/- 0.04  93.723% * 89.8160% (0.98  10.0   7.01 123.52) =  99.313%  kept
          HN    THR  118 - HA    GLN  116   4.46 +/- 0.28   5.811% * 10.0145% (0.80   1.0   2.73   0.02) =   0.687%  kept
          HN    GLU- 114 - HA    GLN  116   7.00 +/- 0.23   0.371% *  0.0765% (0.84   1.0   0.02   0.27) =   0.000%
          HN    PHE   60 - HA    GLN  116   9.21 +/- 1.03   0.093% *  0.0519% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  17.01 +/- 1.88   0.002% *  0.0411% (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   3.46 +/- 0.38  99.515% * 66.5564% (0.49  1.00   0.75   1.50) =  99.963%  kept
          HA    ILE   56 - HB2   GLN  116   9.82 +/- 1.42   0.327% *  3.5189% (0.97  1.00   0.02   0.02) =   0.017%
        T HA    PRO   58 - HB2   GLN  116  12.18 +/- 1.18   0.063% * 14.9903% (0.41 10.00   0.02   0.02) =   0.014%
          HA    LEU  123 - HB2   GLN  116  11.87 +/- 0.77   0.087% *  3.6382% (1.00  1.00   0.02   0.02) =   0.005%
          HA    LYS+  99 - HB2   GLN  116  20.75 +/- 1.87   0.003% *  3.0456% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  20.47 +/- 1.70   0.003% *  2.0644% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  27.63 +/- 1.81   0.000% *  3.4492% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  24.97 +/- 1.69   0.001% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  31.32 +/- 2.04   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 = 7.02, residual support = 100.9:
          QD2   LEU  115 - HB2   GLN  116   3.75 +/- 0.99  87.265% * 97.5348% (0.45   7.02 100.94) =  99.922%  kept
          QD1   LEU   63 - HB2   GLN  116   8.28 +/- 1.71   7.520% *  0.4961% (0.80   0.02   0.02) =   0.044%
          QD2   LEU   63 - HB2   GLN  116   8.86 +/- 1.80   5.137% *  0.5719% (0.92   0.02   0.02) =   0.034%
          QD1   LEU  104 - HB2   GLN  116  14.76 +/- 1.55   0.036% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  19.00 +/- 1.07   0.008% *  0.4961% (0.80   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  18.02 +/- 1.23   0.011% *  0.2325% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  17.20 +/- 1.78   0.018% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  22.32 +/- 1.48   0.003% *  0.2547% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  22.86 +/- 1.80   0.002% *  0.1379% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 3 structures by 0.33 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.99, residual support = 100.9:
          QD2   LEU  115 - HG2   GLN  116   3.19 +/- 1.21  84.584% * 98.7958% (1.00   6.99 100.94) =  99.968%  kept
          QD1   LEU   63 - HG2   GLN  116   7.30 +/- 2.12   9.607% *  0.2359% (0.84   0.02   0.02) =   0.027%
          QD2   LEU   63 - HG2   GLN  116   7.76 +/- 2.19   5.793% *  0.0704% (0.25   0.02   0.02) =   0.005%
          QD1   LEU  104 - HG2   GLN  116  14.51 +/- 2.00   0.012% *  0.2533% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  18.20 +/- 1.42   0.002% *  0.2359% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  21.89 +/- 1.59   0.001% *  0.2819% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  22.51 +/- 2.48   0.001% *  0.1266% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 3 structures by 0.32 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.37, residual support = 123.5:
      O   HE21  GLN  116 - HG2   GLN  116   2.98 +/- 0.69  91.695% * 99.6673% (0.65  10.0   4.37 123.52) =  99.996%  kept
          HN    ALA  120 - HG2   GLN  116   5.54 +/- 0.98   8.234% *  0.0428% (0.28   1.0   0.02   0.30) =   0.004%
          HN    ALA   57 - HG2   GLN  116  10.70 +/- 1.93   0.071% *  0.1119% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  26.87 +/- 2.25   0.000% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  28.49 +/- 2.74   0.000% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 7.4, residual support = 123.5:
          HN    GLN  116 - HG2   GLN  116   3.41 +/- 0.43  95.687% * 99.1050% (0.80   7.40 123.52) =  99.987%  kept
          HN    THR  118 - HG2   GLN  116   6.32 +/- 0.41   3.059% *  0.3277% (0.98   0.02   0.02) =   0.011%
          HN    PHE   60 - HG2   GLN  116   9.72 +/- 1.40   0.332% *  0.3277% (0.98   0.02   0.02) =   0.001%
          HN    GLU- 114 - HG2   GLN  116   7.49 +/- 0.81   0.921% *  0.1141% (0.34   0.02   0.27) =   0.001%
          HN    GLU-  15 - HG2   GLN  116  24.74 +/- 1.97   0.001% *  0.1255% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.65, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HB2   GLN  116   9.25 +/- 1.18  47.879% * 15.3326% (0.76   0.02   0.02) =  64.625%  kept
          QD    PHE   55 - HB2   GLN  116   9.37 +/- 1.74  48.379% *  6.8436% (0.34   0.02   0.02) =  29.146%  kept
          HN    LEU   67 - HB2   GLN  116  15.05 +/- 1.44   3.229% * 20.0629% (1.00   0.02   0.02) =   5.703%  kept
          HD1   TRP   49 - HB2   GLN  116  24.26 +/- 1.77   0.145% * 16.7579% (0.84   0.02   0.02) =   0.215%
          HD2   HIS   22 - HB2   GLN  116  25.88 +/- 1.82   0.102% * 13.7814% (0.69   0.02   0.02) =   0.124%
          HN    THR   23 - HB2   GLN  116  27.75 +/- 1.46   0.063% * 16.0651% (0.80   0.02   0.02) =   0.089%
          HE3   TRP   27 - HB2   GLN  116  24.13 +/- 1.47   0.149% *  5.5782% (0.28   0.02   0.02) =   0.073%
          HD21  ASN   35 - HB2   GLN  116  29.13 +/- 2.36   0.053% *  5.5782% (0.28   0.02   0.02) =   0.026%
    Distance limit 3.71 A violated in 20 structures by 4.27 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.62, residual support = 123.5:
      O   HN    GLN  116 - HB2   GLN  116   2.08 +/- 0.09  99.340% * 99.7303% (0.98  10.0   7.62 123.52) =  99.999%  kept
          HN    GLU- 114 - HB2   GLN  116   5.46 +/- 0.36   0.358% *  0.0850% (0.84   1.0   0.02   0.27) =   0.000%
          HN    THR  118 - HB2   GLN  116   5.56 +/- 0.25   0.295% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   GLN  116  10.95 +/- 1.02   0.006% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  19.70 +/- 1.77   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 = 4.9, residual support = 28.3:
          HN    SER  117 - HB2   GLN  116   3.20 +/- 0.20  99.999% * 99.5610% (0.98   4.90  28.25) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  22.80 +/- 1.75   0.001% *  0.3466% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  29.49 +/- 1.64   0.000% *  0.0924% (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 = 4.9, residual support = 28.3:
      O   HN    SER  117 - HA    GLN  116   3.58 +/- 0.04  99.996% * 99.8922% (0.98  10.0   4.90  28.25) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  20.16 +/- 1.62   0.004% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  28.29 +/- 1.73   0.000% *  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 = 0.922, support = 2.18, residual support = 5.94:
        T QB    ALA  120 - HA    SER  117   3.02 +/- 0.30  91.515% * 98.3273% (0.92 10.00   2.18   5.95) =  99.916%  kept
          HD2   LYS+ 121 - HA    SER  117   5.42 +/- 1.81   7.827% *  0.9602% (0.18  1.00   1.03   0.02) =   0.083%
          HG    LEU  115 - HA    SER  117   8.14 +/- 0.81   0.332% *  0.0983% (0.92  1.00   0.02   1.83) =   0.000%
          HB3   LEU  115 - HA    SER  117   8.13 +/- 0.35   0.300% *  0.0400% (0.38  1.00   0.02   1.83) =   0.000%
          HG    LEU   67 - HA    SER  117  15.65 +/- 3.50   0.012% *  0.0518% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  16.62 +/- 1.34   0.004% *  0.1065% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  15.40 +/- 1.27   0.007% *  0.0400% (0.38  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  23.37 +/- 0.90   0.000% *  0.2962% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  18.20 +/- 0.94   0.002% *  0.0237% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  21.53 +/- 1.04   0.001% *  0.0560% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.438, support = 1.34, residual support = 15.6:
          HN    ALA  120 - HA    SER  117   3.62 +/- 0.17  89.415% * 13.0003% (0.28   0.75   5.95) =  56.519%  kept
          HE21  GLN  116 - HA    SER  117   5.98 +/- 1.27  10.564% * 84.6538% (0.65   2.10  28.25) =  43.480%  kept
          HN    ALA   57 - HA    SER  117  14.93 +/- 1.23   0.020% *  0.9054% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  27.62 +/- 1.86   0.001% *  1.2222% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  26.84 +/- 1.87   0.001% *  0.2184% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.57, residual support = 16.1:
      O   HN    SER  117 - HA    SER  117   2.73 +/- 0.03 100.000% * 99.9049% (0.57  10.0   3.57  16.07) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  22.79 +/- 1.37   0.000% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  25.67 +/- 1.07   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 = 0.198, support = 0.0198, residual support = 0.0198:
          HN    LYS+  81 - QB    SER   85   7.01 +/- 0.51  52.126% *  3.4992% (0.12   0.02   0.02) =  40.102%  kept
          HN    LYS+  81 - QB    SER   48   9.42 +/- 1.35  13.799% *  5.8981% (0.20   0.02   0.02) =  17.893%  kept
          QE    PHE   95 - QB    SER  117   8.59 +/- 0.84  16.517% *  4.5788% (0.15   0.02   0.02) =  16.627%  kept
          QD    PHE   55 - QB    SER  117  11.06 +/- 1.37   3.914% * 14.4446% (0.49   0.02   0.02) =  12.431%  kept
          QD    PHE   60 - QB    SER  117  12.23 +/- 0.93   1.990% * 12.2000% (0.41   0.02   0.02) =   5.338%  kept
          QD    PHE   60 - QB    SER   48  11.45 +/- 1.66   4.659% *  3.1728% (0.11   0.02   0.02) =   3.250%  kept
          QD    PHE   55 - QB    SER   48  12.75 +/- 1.64   2.042% *  3.7566% (0.13   0.02   0.02) =   1.687%  kept
          HE3   TRP   27 - QB    SER   85  13.54 +/- 3.39   1.753% *  2.5923% (0.09   0.02   0.02) =   0.999%  kept
          HE3   TRP   27 - QB    SER   48  14.74 +/- 1.17   0.637% *  4.3694% (0.15   0.02   0.02) =   0.612%  kept
          QE    PHE   95 - QB    SER   48  12.86 +/- 1.98   1.789% *  1.1908% (0.04   0.02   0.02) =   0.468%
          HE3   TRP   27 - QB    SER  117  20.68 +/- 0.71   0.075% * 16.8009% (0.57   0.02   0.02) =   0.278%
          HN    LYS+  81 - QB    SER  117  25.23 +/- 1.51   0.023% * 22.6789% (0.76   0.02   0.02) =   0.116%
          QD    PHE   60 - QB    SER   85  17.33 +/- 0.91   0.226% *  1.8824% (0.06   0.02   0.02) =   0.093%
          QE    PHE   95 - QB    SER   85  16.32 +/- 1.18   0.342% *  0.7065% (0.02   0.02   0.02) =   0.053%
          QD    PHE   55 - QB    SER   85  19.66 +/- 1.45   0.106% *  2.2287% (0.08   0.02   0.02) =   0.052%
    Distance limit 3.77 A violated in 20 structures by 2.46 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.64, residual support = 36.8:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   3.64  36.83) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.97, support = 1.54, residual support = 6.34:
          QG1   VAL  107 - HB    THR  118   1.98 +/- 0.61  98.026% * 58.4554% (0.98   1.50   5.93) =  98.663%  kept
          HG13  ILE  119 - HB    THR  118   5.45 +/- 0.51   1.951% * 39.8089% (0.22   4.50  36.84) =   1.337%  kept
          HD3   LYS+ 112 - HB    THR  118  10.64 +/- 1.84   0.022% *  0.6642% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    THR  118  19.88 +/- 2.35   0.000% *  0.7340% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  19.63 +/- 1.73   0.001% *  0.1393% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  19.37 +/- 1.52   0.000% *  0.1983% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3282 (7.24, 3.88, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.492, support = 1.68, residual support = 9.76:
          QE    PHE   59 - HB    THR  118   3.62 +/- 1.37  93.573% * 38.1326% (0.45   1.72  10.48) =  90.715%  kept
          HN    HIS  122 - HB    THR  118   7.06 +/- 0.23   6.063% * 60.1810% (0.92   1.32   2.80) =   9.277%  kept
          HN    PHE   59 - HB    THR  118   9.93 +/- 1.62   0.343% *  0.8273% (0.84   0.02  10.48) =   0.007%
          HH2   TRP   87 - HB    THR  118  19.27 +/- 4.45   0.021% *  0.8591% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 4 structures by 0.39 A, kept.
 
    Peak 3283 (8.18, 3.88, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.68, residual support = 36.8:
      O   HN    THR  118 - HB    THR  118   2.09 +/- 0.13  99.554% * 99.7459% (0.98  10.0   3.68  36.83) = 100.000%  kept
          HN    GLN  116 - HB    THR  118   5.50 +/- 0.39   0.343% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB    THR  118   6.92 +/- 0.76   0.084% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB    THR  118   9.79 +/- 1.38   0.019% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  23.88 +/- 1.62   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, 26.01 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 3.64, residual support = 36.8:
      O T QG2   THR  118 - HA    THR  118   2.74 +/- 0.18 100.000% *100.0000% (0.14  10.0 10.00   3.64  36.83) = 100.000%  kept
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3285 (0.95, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.86, support = 0.0199, residual support = 36.6:
        T QG2   ILE  119 - HA    THR  118   6.05 +/- 0.03  84.107% * 82.9340% (0.87 10.00   0.02  36.84) =  99.353%  kept
          QD1   ILE  103 - HA    THR  118  10.66 +/- 1.22   3.520% *  7.1780% (0.75  1.00   0.02   0.02) =   0.360%
          QG2   ILE  103 - HA    THR  118   8.62 +/- 1.01  11.956% *  1.5050% (0.16  1.00   0.02   0.02) =   0.256%
          QD2   LEU   71 - HA    THR  118  15.55 +/- 0.71   0.307% *  6.2402% (0.65  1.00   0.02   0.02) =   0.027%
          HG3   LYS+  74 - HA    THR  118  18.90 +/- 1.55   0.109% *  2.1428% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.12 A violated in 20 structures by 2.93 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.787, support = 1.91, residual support = 10.1:
          QG1   VAL  107 - HA    THR  118   3.88 +/- 0.53  94.956% * 24.6419% (0.88  1.00   1.50   5.93) =  86.515%  kept
        T HG13  ILE  119 - HA    THR  118   6.59 +/- 0.28   4.887% * 74.6264% (0.20 10.00   4.51  36.84) =  13.484%  kept
          HD3   LYS+ 112 - HA    THR  118  12.61 +/- 1.73   0.136% *  0.2800% (0.75  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    THR  118  21.00 +/- 2.42   0.006% *  0.3094% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    THR  118  19.48 +/- 1.15   0.008% *  0.0836% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    THR  118  20.64 +/- 1.74   0.008% *  0.0587% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 2 structures by 0.52 A, kept.
 
    Peak 3287 (1.50, 3.69, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.523, support = 2.54, residual support = 8.23:
        T HB3   LYS+ 121 - HA    THR  118   3.48 +/- 0.42  36.983% * 66.6843% (0.22 10.00   2.64   8.23) =  54.962%  kept
          HD2   LYS+ 121 - HA    THR  118   3.00 +/- 1.26  62.854% * 32.1513% (0.89  1.00   2.43   8.23) =  45.037%  kept
          QD    LYS+  66 - HA    THR  118  11.72 +/- 1.91   0.022% *  0.1942% (0.65  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118  10.48 +/- 1.66   0.059% *  0.0667% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118  10.34 +/- 1.12   0.060% *  0.0468% (0.16  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  12.71 +/- 1.28   0.016% *  0.0595% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.86 +/- 1.72   0.002% *  0.2674% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  18.64 +/- 1.19   0.001% *  0.2234% (0.75  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  20.22 +/- 0.82   0.001% *  0.2651% (0.89  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  17.62 +/- 1.73   0.002% *  0.0413% (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, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.683, support = 0.0199, residual support = 36.5:
        T HB    ILE  119 - HA    THR  118   5.67 +/- 0.09  91.573% * 57.0728% (0.69 10.00   0.02  36.84) =  98.972%  kept
          HB2   PRO   93 - HA    THR  118  13.46 +/- 2.96   3.842% *  7.0645% (0.85  1.00   0.02   0.02) =   0.514%  kept
          HB    VAL  108 - HA    THR  118  10.51 +/- 1.36   3.521% *  7.0645% (0.85  1.00   0.02   0.02) =   0.471%
          HG2   PRO   58 - HA    THR  118  13.92 +/- 1.68   0.528% *  1.3079% (0.16  1.00   0.02   0.02) =   0.013%
          HB3   GLU- 100 - HA    THR  118  18.23 +/- 1.86   0.098% *  5.1298% (0.62  1.00   0.02   0.02) =   0.010%
          HB2   ARG+  54 - HA    THR  118  20.10 +/- 1.82   0.052% *  7.3202% (0.88  1.00   0.02   0.02) =   0.007%
          HB3   PRO   68 - HA    THR  118  16.15 +/- 1.83   0.233% *  1.1523% (0.14  1.00   0.02   0.02) =   0.005%
          HB2   GLN   30 - HA    THR  118  20.63 +/- 1.06   0.042% *  5.7073% (0.69  1.00   0.02   0.02) =   0.005%
          HG3   PRO   52 - HA    THR  118  19.15 +/- 2.07   0.073% *  1.3079% (0.16  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    THR  118  22.50 +/- 1.44   0.025% *  3.3482% (0.40  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HA    THR  118  26.89 +/- 2.16   0.010% *  1.6626% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    THR  118  34.39 +/- 2.78   0.002% *  1.8622% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 20 structures by 1.85 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 26.01 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 0.02, residual support = 36.8:
        T HG12  ILE  119 - HA    THR  118   5.31 +/- 0.18  99.315% * 44.9828% (0.40 10.00   0.02  36.84) =  99.860%  kept
          HB2   ASP-  44 - HA    THR  118  13.64 +/- 1.17   0.387% *  9.4912% (0.85  1.00   0.02   0.02) =   0.082%
          HB3   PHE   72 - HA    THR  118  15.15 +/- 1.07   0.195% *  8.7032% (0.78  1.00   0.02   0.02) =   0.038%
          QG    GLU-  15 - HA    THR  118  19.12 +/- 1.53   0.052% *  9.9446% (0.89  1.00   0.02   0.02) =   0.012%
          QG    GLN   90 - HA    THR  118  21.33 +/- 1.56   0.026% *  8.0341% (0.72  1.00   0.02   0.02) =   0.005%
          QG    GLU-  14 - HA    THR  118  24.01 +/- 2.05   0.013% *  9.2620% (0.83  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - HA    THR  118  30.68 +/- 1.99   0.003% *  8.0341% (0.72  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    THR  118  25.99 +/- 0.78   0.007% *  1.5481% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 20 structures by 1.53 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.0, residual support = 36.8:
      O T HB    THR  118 - HA    THR  118   2.97 +/- 0.08  99.938% * 99.8099% (0.72  10.0 10.00   3.00  36.83) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  10.94 +/- 1.27   0.057% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  20.10 +/- 2.33   0.002% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  17.93 +/- 1.21   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  21.69 +/- 1.21   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  25.62 +/- 1.48   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 0.09 A, kept.
 
    Peak 3291 (7.19, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.842, support = 0.0198, residual support = 10.4:
          QD    PHE   59 - HA    THR  118   7.35 +/- 1.25  99.216% * 25.6201% (0.85   0.02  10.48) =  99.223%  kept
          HD1   TRP   27 - HA    THR  118  20.82 +/- 1.65   0.340% * 25.6201% (0.85   0.02   0.02) =   0.340%
          HE21  GLN   30 - HA    THR  118  20.22 +/- 1.33   0.325% * 26.1376% (0.87   0.02   0.02) =   0.331%
          HH2   TRP   49 - HA    THR  118  23.48 +/- 2.17   0.119% * 22.6222% (0.75   0.02   0.02) =   0.105%
    Distance limit 3.42 A violated in 20 structures by 3.93 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 26.01 ppm):
    3 chemical-shift based assignments, quality = 0.471, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.87 +/- 0.22  99.840% * 43.4534% (0.47   0.02   0.02) =  99.899%  kept
          HZ2   TRP   49 - HA    THR  118  23.88 +/- 2.05   0.074% * 40.2018% (0.44   0.02   0.02) =   0.069%
          HE21  GLN   17 - HA    THR  118  23.15 +/- 2.37   0.086% * 16.3448% (0.18   0.02   0.02) =   0.032%
    Distance limit 3.80 A violated in 20 structures by 3.07 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.29, residual support = 36.8:
      O   HN    ILE  119 - HA    THR  118   3.52 +/- 0.03  99.992% * 99.6357% (0.51  10.0   5.29  36.84) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  21.16 +/- 1.06   0.002% *  0.1698% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  21.12 +/- 2.68   0.003% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  22.65 +/- 0.93   0.001% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  22.19 +/- 1.16   0.002% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3294 (8.20, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.7, residual support = 36.8:
      O   HN    THR  118 - HA    THR  118   2.83 +/- 0.03  99.566% * 99.6520% (0.51  10.0   3.70  36.83) = 100.000%  kept
          HN    GLN  116 - HA    THR  118   7.09 +/- 0.16   0.411% *  0.0543% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    THR  118  11.92 +/- 1.26   0.022% *  0.1409% (0.72   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  24.17 +/- 1.72   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, 26.66 ppm):
    7 chemical-shift based assignments, quality = 0.378, support = 3.04, residual support = 36.8:
      O T HA    THR  118 - HB    THR  118   2.97 +/- 0.08  94.350% * 73.6595% (0.38  10.0 10.00   3.00  36.83) =  98.211%  kept
          HA    ILE  119 - HB    THR  118   4.96 +/- 0.29   4.882% * 25.9221% (0.53   1.0  1.00   5.02  36.84) =   1.788%  kept
          HA2   GLY  109 - HB    THR  118  10.54 +/- 1.74   0.719% *  0.0303% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HB    THR  118  11.66 +/- 1.75   0.046% *  0.0955% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  18.34 +/- 0.85   0.002% *  0.1500% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  19.87 +/- 2.18   0.001% *  0.0546% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  23.25 +/- 1.67   0.000% *  0.0880% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3296 (1.11, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.511, support = 3.16, residual support = 6.82:
          QG1   VAL  107 - QG2   THR  118   2.07 +/- 0.45  98.616% * 31.2646% (0.51   3.09   5.93) =  97.100%  kept
          HG13  ILE  119 - QG2   THR  118   4.48 +/- 0.49   1.360% * 67.7298% (0.62   5.51  36.84) =   2.900%  kept
          HD3   LYS+ 112 - QG2   THR  118  10.09 +/- 1.62   0.018% *  0.3453% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  14.36 +/- 1.23   0.002% *  0.2598% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  15.47 +/- 2.05   0.001% *  0.3209% (0.80   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  14.12 +/- 0.92   0.002% *  0.0797% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3297 (1.88, 0.24, 62.25 ppm):
    13 chemical-shift based assignments, quality = 0.253, support = 1.59, residual support = 4.77:
        T HB3   ASP- 105 - QG2   THR  118   3.47 +/- 1.80  86.092% * 81.3253% (0.25 10.00   1.59   4.80) =  98.359%  kept
          QB    LYS+ 106 - QG2   THR  118   5.20 +/- 0.99   7.033% * 16.2882% (0.51  1.00   1.56   2.85) =   1.609%  kept
          HB    ILE   56 - QG2   THR  118   8.65 +/- 1.50   5.836% *  0.3482% (0.85  1.00   0.02   0.02) =   0.029%
          HB3   PRO   58 - QG2   THR  118  11.16 +/- 1.34   0.464% *  0.2529% (0.62  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - QG2   THR  118  12.02 +/- 1.09   0.163% *  0.3193% (0.78  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QG2   THR  118   9.86 +/- 1.35   0.138% *  0.0820% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   THR  118  11.61 +/- 1.90   0.155% *  0.0729% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   THR  118  15.18 +/- 0.90   0.019% *  0.3553% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  15.78 +/- 1.39   0.014% *  0.3673% (0.89  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  15.02 +/- 1.55   0.045% *  0.0918% (0.22  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  15.36 +/- 0.81   0.021% *  0.1382% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  17.78 +/- 1.13   0.012% *  0.1650% (0.40  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  18.56 +/- 1.13   0.007% *  0.1937% (0.47  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 2 structures by 0.35 A, kept.
 
    Peak 3298 (2.25, 0.24, 62.25 ppm):
    11 chemical-shift based assignments, quality = 0.607, support = 2.8, residual support = 15.5:
        T HB2   ASP- 105 - QG2   THR  118   3.48 +/- 1.55  50.894% * 65.2974% (0.51 10.00   1.59   4.80) =  66.655%  kept
          HG12  ILE  119 - QG2   THR  118   3.18 +/- 0.55  48.854% * 34.0291% (0.80  1.00   5.23  36.84) =  33.345%  kept
          HB2   ASP-  44 - QG2   THR  118   8.67 +/- 0.85   0.161% *  0.0545% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   THR  118  10.26 +/- 0.83   0.056% *  0.0707% (0.44  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  12.96 +/- 1.33   0.015% *  0.1340% (0.83  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  16.04 +/- 0.97   0.003% *  0.0822% (0.51  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  14.39 +/- 1.24   0.006% *  0.0404% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  14.80 +/- 1.49   0.005% *  0.0404% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  19.35 +/- 0.75   0.001% *  0.1423% (0.88  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  18.16 +/- 1.71   0.002% *  0.0597% (0.37  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  16.95 +/- 0.90   0.002% *  0.0495% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3299 (3.70, 0.24, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.382, support = 4.07, residual support = 36.8:
      O T HA    THR  118 - QG2   THR  118   2.74 +/- 0.18  73.469% * 41.5367% (0.34  10.0 10.00   3.64  36.83) =  66.634%  kept
        T HA    ILE  119 - QG2   THR  118   3.34 +/- 0.25  26.243% * 58.2274% (0.47   1.0 10.00   4.94  36.84) =  33.366%  kept
          HA2   GLY  109 - QG2   THR  118   9.77 +/- 1.41   0.225% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG2   THR  118   9.93 +/- 1.31   0.057% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  14.12 +/- 0.66   0.004% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  16.00 +/- 1.77   0.002% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  19.46 +/- 1.38   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, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.64, residual support = 36.8:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  99.767% * 99.8099% (0.72  10.0 10.00   3.64  36.83) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   6.71 +/- 1.13   0.229% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  13.43 +/- 1.14   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  14.80 +/- 1.59   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  16.60 +/- 1.13   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  19.79 +/- 1.23   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, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 0.984, residual support = 2.8:
          HD2   HIS  122 - QG2   THR  118   3.25 +/- 0.17  98.952% * 96.4998% (0.90   0.98   2.80) =  99.981%  kept
          HE22  GLN  116 - QG2   THR  118   8.07 +/- 1.18   0.816% *  1.9574% (0.89   0.02   0.02) =   0.017%
          QD    PHE   45 - QG2   THR  118   9.35 +/- 0.73   0.226% *  0.7363% (0.34   0.02   0.02) =   0.002%
          HE22  GLN   17 - QG2   THR  118  17.84 +/- 2.09   0.006% *  0.8065% (0.37   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.28 A, kept.
 
    Peak 3302 (7.19, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 3.28, residual support = 10.5:
          QD    PHE   59 - QG2   THR  118   4.42 +/- 1.09  99.642% * 98.2581% (0.85   3.28  10.48) =  99.998%  kept
          HD1   TRP   27 - QG2   THR  118  15.00 +/- 1.44   0.179% *  0.6000% (0.85   0.02   0.02) =   0.001%
          HE21  GLN   30 - QG2   THR  118  14.54 +/- 1.08   0.139% *  0.6121% (0.87   0.02   0.02) =   0.001%
          HH2   TRP   49 - QG2   THR  118  17.63 +/- 1.67   0.039% *  0.5298% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 11 structures by 1.12 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.94, residual support = 36.8:
        T QG2   THR  118 - HA    ILE  119   3.34 +/- 0.25 100.000% *100.0000% (0.57 10.00   4.94  36.84) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 4.49, residual support = 43.2:
          QB    ALA  120 - HA    ILE  119   5.01 +/- 0.02  54.834% * 57.8139% (0.45   5.08  55.94) =  75.834%  kept
          HD2   LYS+ 121 - HA    ILE  119   6.04 +/- 1.00  25.004% * 40.2583% (0.61   2.62   3.18) =  24.080%  kept
          HG    LEU  115 - HA    ILE  119   7.48 +/- 1.17   8.215% *  0.2274% (0.45   0.02   9.06) =   0.045%
          QD    LYS+  66 - HA    ILE  119   7.87 +/- 1.84  10.991% *  0.1265% (0.25   0.02   0.02) =   0.033%
          HB3   LEU   40 - HA    ILE  119  11.43 +/- 1.75   0.623% *  0.3484% (0.69   0.02   0.02) =   0.005%
          HG2   LYS+  65 - HA    ILE  119  12.63 +/- 1.46   0.263% *  0.3484% (0.69   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    ILE  119  16.33 +/- 1.07   0.050% *  0.4895% (0.97   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    ILE  119  18.85 +/- 1.25   0.022% *  0.3876% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 15 structures by 0.92 A, eliminated.
    Peak unassigned.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 0.0199, residual support = 19.0:
          QD    PHE   59 - HA    ILE  119   5.29 +/- 1.17  99.745% * 25.6201% (0.95   0.02  19.08) =  99.744%  kept
          HE21  GLN   30 - HA    ILE  119  18.30 +/- 1.88   0.134% * 26.1376% (0.97   0.02   0.02) =   0.136%
          HD1   TRP   27 - HA    ILE  119  20.32 +/- 2.44   0.103% * 25.6201% (0.95   0.02   0.02) =   0.103%
          HH2   TRP   49 - HA    ILE  119  23.78 +/- 1.71   0.019% * 22.6222% (0.84   0.02   0.02) =   0.017%
    Distance limit 3.21 A violated in 17 structures by 2.08 A, eliminated.
    Peak unassigned.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.8, residual support = 256.4:
      O   HN    ILE  119 - HA    ILE  119   2.83 +/- 0.03  99.997% * 99.7485% (0.98  10.0   8.80 256.40) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  19.19 +/- 1.24   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  21.10 +/- 1.78   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  22.31 +/- 2.02   0.000% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  21.59 +/- 1.58   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 = 0.207, support = 5.92, residual support = 53.1:
      O   HN    ALA  120 - HA    ILE  119   3.62 +/- 0.01  87.034% * 72.4742% (0.18  10.0   6.15  55.94) =  94.940%  kept
          HN    LEU  123 - HA    ILE  119   5.05 +/- 0.28  12.582% * 26.7063% (0.80   1.0   1.61   0.02) =   5.057%  kept
          HN    ALA  124 - HA    ILE  119   9.01 +/- 0.37   0.379% *  0.4056% (0.98   1.0   0.02   0.02) =   0.002%
          HE21  GLN   17 - HA    ILE  119  19.23 +/- 2.32   0.005% *  0.4138% (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 = 2.77, residual support = 14.6:
          HA    GLN  116 - HB    ILE  119   2.34 +/- 0.70  99.989% * 96.8488% (0.84   2.77  14.58) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  14.68 +/- 1.88   0.005% *  0.7004% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  16.28 +/- 1.35   0.003% *  0.3819% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  17.26 +/- 1.60   0.002% *  0.2240% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  22.43 +/- 1.85   0.000% *  0.4695% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  25.44 +/- 1.75   0.000% *  0.5270% (0.63   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  22.40 +/- 1.96   0.001% *  0.1120% (0.13   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  27.20 +/- 1.68   0.000% *  0.4109% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  29.85 +/- 1.88   0.000% *  0.3254% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.522, support = 4.98, residual support = 55.4:
          HN    ALA  120 - HB    ILE  119   2.62 +/- 0.09  80.621% * 93.1407% (0.53   5.04  55.94) =  98.602%  kept
          HE21  GLN  116 - HB    ILE  119   4.57 +/- 1.69  18.841% *  5.6432% (0.22   0.74  14.58) =   1.396%  kept
          HN    LEU  123 - HB    ILE  119   6.16 +/- 0.24   0.492% *  0.1882% (0.27   0.02   0.02) =   0.001%
          HN    ALA  124 - HB    ILE  119   9.69 +/- 0.43   0.033% *  0.4883% (0.69   0.02   0.02) =   0.000%
          HN    ALA   57 - HB    ILE  119  11.61 +/- 1.12   0.012% *  0.1207% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  20.59 +/- 2.41   0.000% *  0.4189% (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 = 7.55, residual support = 256.4:
      O   HN    ILE  119 - HB    ILE  119   2.29 +/- 0.12 100.000% * 99.7485% (0.85  10.0   7.55 256.40) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  20.97 +/- 1.33   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  23.22 +/- 1.97   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  23.94 +/- 1.90   0.000% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  24.32 +/- 1.68   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 = 55.9:
          HA    ALA  120 - QG2   ILE  119   3.36 +/- 0.19  97.879% * 94.9061% (0.57   3.85  55.94) =  99.994%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.55 +/- 0.22   1.800% *  0.1724% (0.20   0.02   3.18) =   0.003%
          HA    LYS+  65 - QG2   ILE  119   9.40 +/- 0.74   0.241% *  0.8241% (0.95   0.02   0.02) =   0.002%
          HA2   GLY   16 - QG2   ILE  119  13.79 +/- 1.54   0.027% *  0.7813% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   ILE  119  16.64 +/- 1.14   0.008% *  0.6657% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  13.76 +/- 0.72   0.023% *  0.2172% (0.25   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  18.24 +/- 1.61   0.006% *  0.2972% (0.34   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  18.83 +/- 1.70   0.005% *  0.2689% (0.31   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  22.20 +/- 1.03   0.001% *  0.7813% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  20.76 +/- 1.69   0.002% *  0.4932% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  17.33 +/- 1.34   0.007% *  0.1344% (0.15   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  22.66 +/- 1.14   0.001% *  0.4583% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.593, support = 5.5, residual support = 53.6:
          HN    ALA  120 - QG2   ILE  119   3.18 +/- 0.24  61.446% * 79.1317% (0.61   5.63  55.94) =  95.853%  kept
          HN    LEU  123 - QG2   ILE  119   4.38 +/- 0.38   9.708% * 19.2639% (0.31   2.70   0.02) =   3.687%  kept
          HE21  GLN  116 - QG2   ILE  119   4.31 +/- 1.45  27.999% *  0.8238% (0.25   0.14  14.58) =   0.455%
          HN    ALA  124 - QG2   ILE  119   6.77 +/- 0.48   0.737% *  0.3708% (0.80   0.02   0.02) =   0.005%
          HN    ALA   57 - QG2   ILE  119   9.78 +/- 1.10   0.104% *  0.0916% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   17 - QG2   ILE  119  15.62 +/- 2.17   0.006% *  0.3181% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.89, residual support = 256.4:
          HN    ILE  119 - QG2   ILE  119   3.66 +/- 0.05  99.978% * 99.2756% (0.80   7.89 256.40) = 100.000%  kept
          HN    SER   37 - QG2   ILE  119  19.03 +/- 1.87   0.006% *  0.3137% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  16.91 +/- 1.37   0.012% *  0.1073% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - QG2   ILE  119  20.26 +/- 1.46   0.004% *  0.3034% (0.97   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 = 0.867, support = 2.0, residual support = 8.28:
          QD2   LEU  115 - HG12  ILE  119   3.03 +/- 0.74  72.091% * 77.4721% (0.90   2.11   9.06) =  91.024%  kept
          QD1   LEU   63 - HG12  ILE  119   3.95 +/- 0.95  27.848% * 19.7752% (0.57   0.86   0.39) =   8.975%  kept
          QD1   LEU  104 - HG12  ILE  119  11.00 +/- 1.67   0.037% *  0.8169% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG12  ILE  119  14.34 +/- 0.96   0.008% *  0.4625% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  15.00 +/- 1.94   0.013% *  0.1260% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  18.64 +/- 1.69   0.002% *  0.7541% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  19.27 +/- 2.48   0.002% *  0.5932% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.858, support = 2.01, residual support = 8.03:
          QD2   LEU  115 - HG13  ILE  119   2.92 +/- 1.32  63.101% * 79.0888% (0.90   2.17   9.06) =  88.168%  kept
          QD1   LEU   63 - HG13  ILE  119   4.12 +/- 1.45  36.855% * 18.1719% (0.57   0.79   0.39) =  11.832%  kept
          QD1   LEU  104 - HG13  ILE  119  11.86 +/- 1.58   0.018% *  0.8129% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG13  ILE  119  14.83 +/- 1.44   0.009% *  0.4602% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  19.15 +/- 1.72   0.002% *  0.7504% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  19.93 +/- 2.38   0.003% *  0.5903% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  15.59 +/- 1.86   0.013% *  0.1254% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3316 (0.17, 1.12, 30.83 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - HG13  ILE  119   9.37 +/- 1.84 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.55 A violated in 20 structures by 5.82 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.93, residual support = 19.1:
          QD    PHE   59 - HG13  ILE  119   3.21 +/- 0.62  99.989% * 98.0545% (0.95   2.93  19.08) = 100.000%  kept
          HE21  GLN   30 - HG13  ILE  119  19.03 +/- 2.39   0.007% *  0.6837% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  20.94 +/- 2.53   0.003% *  0.6701% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG13  ILE  119  21.92 +/- 1.61   0.002% *  0.5917% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.97, residual support = 256.4:
          HN    ILE  119 - HG13  ILE  119   3.43 +/- 0.39  99.990% * 99.1808% (0.80   6.97 256.40) = 100.000%  kept
          HN    ILE   89 - HG13  ILE  119  21.72 +/- 1.74   0.002% *  0.3431% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG13  ILE  119  18.93 +/- 1.66   0.006% *  0.1213% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  23.19 +/- 2.17   0.002% *  0.3548% (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 = 3.78, residual support = 19.1:
          QD    PHE   59 - HG12  ILE  119   3.17 +/- 0.93  99.980% * 98.9776% (0.84   3.78  19.08) = 100.000%  kept
          HD1   TRP   27 - HG12  ILE  119  20.23 +/- 2.23   0.009% *  0.5237% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - HG12  ILE  119  18.67 +/- 1.75   0.008% *  0.3052% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  21.61 +/- 1.60   0.003% *  0.1935% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 4 structures by 0.33 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.89, residual support = 256.4:
          HN    ILE  119 - HG12  ILE  119   2.47 +/- 0.27  99.999% * 99.2760% (0.80   7.89 256.40) = 100.000%  kept
          HN    ILE   89 - HG12  ILE  119  20.87 +/- 1.86   0.000% *  0.3033% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  22.59 +/- 1.67   0.000% *  0.3135% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE  119  18.67 +/- 1.10   0.001% *  0.1072% (0.34   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   7.37 +/- 1.94 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.03 A violated in 20 structures by 4.35 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.318, support = 3.38, residual support = 6.29:
          QD2   LEU  115 - QD1   ILE  119   2.67 +/- 0.43  61.089% * 54.0876% (0.40  1.00   4.55   9.06) =  68.078%  kept
        T QD1   LEU   63 - QD1   ILE  119   3.32 +/- 1.25  38.841% * 39.8835% (0.15 10.00   0.89   0.39) =  31.918%  kept
        T QD1   LEU  104 - QD1   ILE  119   9.87 +/- 2.02   0.051% *  3.9728% (0.66 10.00   0.02   0.02) =   0.004%
        T QD1   LEU   73 - QD1   ILE  119  11.93 +/- 1.46   0.008% *  0.8924% (0.15 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  12.92 +/- 1.38   0.007% *  0.3274% (0.55  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  16.37 +/- 1.92   0.002% *  0.5771% (0.96  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  15.63 +/- 1.43   0.002% *  0.2593% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.96, residual support = 14.6:
        T HA    GLN  116 - QD1   ILE  119   3.46 +/- 0.78  99.017% * 99.4587% (0.51 10.00   3.96  14.58) =  99.999%  kept
          HA    VAL   70 - QD1   ILE  119  11.12 +/- 2.25   0.636% *  0.0995% (0.51  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QD1   ILE  119  12.72 +/- 1.50   0.104% *  0.1514% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  11.37 +/- 1.29   0.212% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  17.57 +/- 2.13   0.018% *  0.1886% (0.96  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  19.77 +/- 2.14   0.008% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  20.98 +/- 2.02   0.005% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 4 structures by 0.49 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.838, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   7.50 +/- 2.20  54.262% * 81.6578% (0.96 10.00   0.02   0.02) =  84.081%  kept
        T QD    PHE   72 - QD1   ILE  119   7.64 +/- 1.42  45.738% * 18.3422% (0.21 10.00   0.02   0.02) =  15.919%  kept
    Distance limit 3.25 A violated in 17 structures by 3.37 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.515, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   5.53 +/- 1.16  69.902% * 23.3518% (0.47   0.02   0.02) =  64.749%  kept
          QE    PHE   72 - QD1   ILE  119   6.57 +/- 1.67  29.397% * 29.0981% (0.59   0.02   0.02) =  33.930%  kept
          HN    ALA   47 - QD1   ILE  119  13.59 +/- 1.00   0.700% * 47.5501% (0.96   0.02   0.02) =   1.321%  kept
    Distance limit 3.30 A violated in 15 structures by 1.88 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.861, support = 1.45, residual support = 14.9:
          HN    HIS  122 - QD1   ILE  119   5.59 +/- 0.89  38.503% * 98.0726% (0.87   1.46  14.91) =  99.174%  kept
          HN    PHE   59 - QD1   ILE  119   5.15 +/- 1.56  61.475% *  0.5108% (0.33   0.02  19.08) =   0.825%  kept
          HH2   TRP   87 - QD1   ILE  119  18.35 +/- 3.05   0.023% *  1.4166% (0.91   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 6 structures by 0.71 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.97, residual support = 256.4:
          HN    ILE  119 - QD1   ILE  119   3.69 +/- 0.31  99.947% * 99.2813% (0.95   6.97 256.40) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  15.19 +/- 1.30   0.027% *  0.2429% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  18.07 +/- 1.33   0.009% *  0.2429% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  18.83 +/- 2.25   0.009% *  0.1881% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  18.74 +/- 2.10   0.009% *  0.0449% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.23, residual support = 25.0:
        T QD1   LEU  123 - HA    ALA  120   2.27 +/- 0.48  99.871% * 99.1996% (0.45 10.00   5.23  24.96) = 100.000%  kept
          HB3   LEU   63 - HA    ALA  120   9.47 +/- 1.46   0.051% *  0.2169% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HA    ALA  120   9.48 +/- 1.66   0.058% *  0.1520% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  11.76 +/- 1.87   0.014% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  15.15 +/- 1.23   0.002% *  0.1164% (0.53  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  15.71 +/- 1.54   0.001% *  0.1772% (0.80  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  16.16 +/- 1.80   0.002% *  0.0992% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.488, support = 3.6, residual support = 19.6:
      O   HN    ALA  120 - HA    ALA  120   2.77 +/- 0.05  44.937% * 54.5680% (0.18  10.0   3.61  14.24) =  50.061%  kept
          HN    LEU  123 - HA    ALA  120   2.69 +/- 0.16  54.580% * 44.8150% (0.80   1.0   3.59  24.96) =  49.936%  kept
          HN    ALA  124 - HA    ALA  120   5.90 +/- 0.22   0.483% *  0.3054% (0.98   1.0   0.02   0.02) =   0.003%
          HE21  GLN   17 - HA    ALA  120  21.93 +/- 2.70   0.000% *  0.3116% (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 = 6.41, residual support = 315.7:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.76 +/- 0.02  99.996% * 99.7700% (0.45  10.0   6.41 315.73) = 100.000%  kept
          HN    LYS+ 121 - HA    LYS+  65  15.50 +/- 1.36   0.004% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+ 121  28.61 +/- 2.05   0.000% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  26.54 +/- 1.37   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 = 0.878, support = 2.67, residual support = 7.71:
          HA    THR  118 - HB2   LYS+ 121   2.64 +/- 0.83  94.314% * 33.6376% (0.87   2.48   8.23) =  89.565%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.81 +/- 0.43   5.637% * 65.5702% (0.97   4.34   3.18) =  10.435%  kept
          HA2   GLY  109 - HB2   LYS+ 121  15.23 +/- 2.72   0.048% *  0.1771% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  23.48 +/- 2.48   0.001% *  0.2391% (0.76   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  21.11 +/- 1.01   0.001% *  0.0870% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  28.02 +/- 1.90   0.000% *  0.2888% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.66, residual support = 8.15:
        T HA    THR  118 - HB3   LYS+ 121   3.48 +/- 0.42  93.294% * 81.4622% (0.72 10.00   2.64   8.23) =  98.455%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.54 +/- 0.54   6.515% * 18.3001% (0.81  1.00   4.04   3.18) =   1.544%  kept
          HA2   GLY  109 - HB3   LYS+ 121  15.86 +/- 2.46   0.187% *  0.0532% (0.47  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  23.74 +/- 2.66   0.002% *  0.0718% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  21.32 +/- 1.17   0.002% *  0.0261% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  28.65 +/- 1.78   0.000% *  0.0867% (0.77  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.42, residual support = 315.7:
      O   HN    LYS+ 121 - HB3   LYS+ 121   3.05 +/- 0.46 100.000% * 99.9582% (0.75  10.0   6.42 315.73) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  26.51 +/- 1.99   0.000% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.41, residual support = 50.0:
          HN    HIS  122 - HB3   LYS+ 121   3.69 +/- 0.28  99.958% * 99.5544% (0.75   6.41  50.01) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  14.29 +/- 1.49   0.036% *  0.1181% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  21.15 +/- 5.11   0.006% *  0.3275% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.28, residual support = 50.0:
          HN    HIS  122 - HB2   LYS+ 121   3.45 +/- 0.26  99.321% * 99.2246% (0.41   7.28  50.01) =  99.998%  kept
          QD    PHE   59 - HB2   LYS+ 121   8.76 +/- 1.58   0.673% *  0.2263% (0.34   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB2   LYS+ 121  21.20 +/- 4.94   0.004% *  0.3229% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 121  21.14 +/- 2.04   0.002% *  0.2263% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.91, residual support = 315.7:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.29 +/- 0.47 100.000% * 99.9061% (0.92  10.0   6.91 315.73) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  25.96 +/- 2.21   0.000% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.418, support = 0.999, residual support = 6.67:
          QG2   ILE  119 - HB2   HIS  122   5.18 +/- 0.78  15.481% * 66.9356% (0.53   1.50  14.91) =  42.814%  kept
          QD2   LEU   67 - HB2   HIS  122   5.87 +/- 3.17  46.671% * 19.4740% (0.41   0.56   0.43) =  37.552%  kept
          QD1   LEU   40 - HB2   HIS  122   5.59 +/- 2.25  37.745% * 12.5888% (0.20   0.75   0.63) =  19.632%  kept
          QD2   LEU   71 - HB2   HIS  122  11.46 +/- 1.35   0.066% *  0.4230% (0.25   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   HIS  122  12.72 +/- 1.88   0.037% *  0.5786% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.547, support = 0.0199, residual support = 0.0199:
          QD1   LEU  104 - HB2   HIS  122   7.19 +/- 1.80  38.816% * 20.0916% (0.69   0.02   0.02) =  69.409%  kept
          QD1   LEU   63 - HB2   HIS  122   6.52 +/- 1.16  51.840% *  4.5130% (0.15   0.02   0.02) =  20.822%  kept
          QD2   LEU  115 - HB2   HIS  122   8.98 +/- 1.20   8.578% * 12.0248% (0.41   0.02   0.02) =   9.180%  kept
          QD1   LEU   73 - HB2   HIS  122  13.44 +/- 1.58   0.544% *  4.5130% (0.15   0.02   0.02) =   0.219%
          QG2   ILE   89 - HB2   HIS  122  18.70 +/- 2.15   0.107% * 16.5597% (0.57   0.02   0.02) =   0.158%
          QG1   VAL   83 - HB2   HIS  122  20.81 +/- 2.77   0.055% * 29.1845% (1.00   0.02   0.02) =   0.142%
          QD2   LEU   80 - HB2   HIS  122  20.04 +/- 2.13   0.061% * 13.1134% (0.45   0.02   0.02) =   0.071%
    Distance limit 4.01 A violated in 13 structures by 1.53 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.78, residual support = 74.1:
      O   HD2   HIS  122 - HB2   HIS  122   3.74 +/- 0.32  99.706% * 99.8219% (1.00  10.0   3.78  74.05) = 100.000%  kept
          HE22  GLN  116 - HB2   HIS  122  11.05 +/- 2.08   0.261% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB2   HIS  122  15.62 +/- 1.65   0.024% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  19.21 +/- 2.48   0.009% *  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 = 5.94, residual support = 74.1:
      O   HN    HIS  122 - HB2   HIS  122   3.49 +/- 0.44  99.557% * 99.7165% (0.41  10.0   5.94  74.05) = 100.000%  kept
          QD    PHE   59 - HB2   HIS  122   9.28 +/- 1.07   0.434% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  19.93 +/- 3.26   0.007% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   HIS  122  22.37 +/- 4.43   0.003% *  0.1181% (0.49   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 = 3.91, residual support = 74.1:
      O   HD2   HIS  122 - HB3   HIS  122   2.90 +/- 0.34  99.863% * 99.8219% (1.00  10.0   3.91  74.05) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  10.05 +/- 2.16   0.128% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.15 +/- 1.65   0.007% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.48 +/- 2.50   0.002% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.09, residual support = 74.1:
      O   HN    HIS  122 - HB3   HIS  122   2.71 +/- 0.36  99.980% * 99.8567% (0.90  10.0   6.09  74.05) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  12.22 +/- 1.28   0.019% *  0.0380% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  22.07 +/- 4.33   0.001% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.387, support = 0.955, residual support = 7.57:
          QG2   ILE  119 - HB3   HIS  122   4.40 +/- 0.88  43.248% * 36.9256% (0.53  1.00   1.39  14.91) =  48.748%  kept
        T QD1   LEU   40 - HB3   HIS  122   6.00 +/- 2.07  25.677% * 48.2042% (0.20 10.00   0.48   0.63) =  37.783%  kept
          QD2   LEU   67 - HB3   HIS  122   6.49 +/- 2.94  30.905% * 14.2757% (0.41  1.00   0.69   0.43) =  13.468%  kept
          QD1   ILE  103 - HB3   HIS  122  12.50 +/- 2.09   0.085% *  0.3435% (0.34  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB3   HIS  122  11.98 +/- 1.27   0.085% *  0.2511% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.13, residual support = 25.0:
          HA    ALA  120 - HG    LEU  123   2.49 +/- 0.80  99.287% * 94.8737% (0.68  1.00   3.13  24.96) =  99.997%  kept
          HA    LYS+ 121 - HG    LEU  123   6.77 +/- 0.46   0.605% *  0.4198% (0.47  1.00   0.02   2.30) =   0.003%
          QB    SER  117 - HG    LEU  123   9.13 +/- 0.88   0.072% *  0.2085% (0.23  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG    LEU  123  13.26 +/- 1.51   0.028% *  0.5104% (0.57  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  17.85 +/- 2.56   0.006% *  0.5481% (0.62  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  24.21 +/- 1.51   0.000% *  1.5238% (0.17 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  20.15 +/- 1.24   0.001% *  0.4670% (0.52  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  25.74 +/- 2.03   0.000% *  0.5301% (0.60  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  25.08 +/- 1.60   0.000% *  0.3707% (0.42  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  29.87 +/- 1.69   0.000% *  0.5481% (0.62  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.82, residual support = 202.5:
          HN    LEU  123 - HG    LEU  123   3.56 +/- 0.25  99.996% * 99.5549% (0.36   5.82 202.47) = 100.000%  kept
          HE21  GLN   17 - HG    LEU  123  20.93 +/- 3.00   0.004% *  0.1286% (0.14   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HG    LEU  123  29.23 +/- 1.71   0.000% *  0.3164% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.13, residual support = 25.0:
          HA    ALA  120 - HB3   LEU  123   3.15 +/- 0.68  98.093% * 96.1929% (0.99   3.13  24.96) =  99.992%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.34 +/- 0.64   1.738% *  0.4256% (0.69   0.02   2.30) =   0.008%
          QB    SER  117 - HB3   LEU  123   9.85 +/- 0.65   0.136% *  0.2114% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  14.16 +/- 1.52   0.024% *  0.5175% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  18.32 +/- 2.55   0.007% *  0.5557% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  21.29 +/- 1.37   0.002% *  0.4735% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  27.09 +/- 2.01   0.000% *  0.5375% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  26.77 +/- 1.56   0.000% *  0.3758% (0.61   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  30.82 +/- 1.74   0.000% *  0.5557% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  25.84 +/- 1.46   0.000% *  0.1545% (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 = 0.921, support = 5.64, residual support = 175.3:
      O   HN    LEU  123 - HB3   LEU  123   3.20 +/- 0.57  44.027% * 88.3643% (0.98  10.0   5.82 202.47) =  85.725%  kept
          HN    ALA  124 - HB3   LEU  123   3.30 +/- 0.54  55.972% * 11.5737% (0.57   1.0   4.54  12.29) =  14.275%  kept
          HE21  GLN   17 - HB3   LEU  123  21.82 +/- 3.10   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 = 24.9:
          HA    ALA  120 - HB2   LEU  123   2.30 +/- 0.63  99.097% * 88.6870% (0.99  1.00   3.14  24.96) =  99.962%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.35 +/- 0.65   0.845% *  3.9160% (0.69 10.00   0.02   2.30) =   0.038%
        T HA    LYS+  65 - HB2   LEU  123  14.37 +/- 1.38   0.008% *  4.7618% (0.84 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU  123   9.00 +/- 0.68   0.048% *  0.1945% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  18.58 +/- 2.19   0.001% *  0.5113% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  20.46 +/- 1.40   0.000% *  0.4357% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  26.67 +/- 2.15   0.000% *  0.4945% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  26.27 +/- 1.56   0.000% *  0.3458% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  30.12 +/- 1.63   0.000% *  0.5113% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  25.23 +/- 1.37   0.000% *  0.1422% (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 = 0.974, support = 6.15, residual support = 199.5:
      O   HN    LEU  123 - HB2   LEU  123   2.43 +/- 0.45  88.415% * 89.1484% (0.98  10.0   6.18 202.47) =  98.439%  kept
          HN    ALA  124 - HB2   LEU  123   4.03 +/- 0.36  11.585% * 10.7892% (0.57   1.0   4.19  12.29) =   1.561%  kept
          HE21  GLN   17 - HB2   LEU  123  21.99 +/- 2.81   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 = 0.566, support = 5.23, residual support = 25.0:
        T HA    ALA  120 - QD1   LEU  123   2.27 +/- 0.48  99.019% * 98.4994% (0.57 10.00   5.23  24.96) = 100.000%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.51 +/- 0.24   0.940% *  0.0344% (0.20  1.00   0.02   2.30) =   0.000%
          HA    LYS+  65 - QD1   LEU  123  10.06 +/- 1.11   0.032% *  0.1646% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  123  13.93 +/- 1.95   0.006% *  0.1560% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  21.56 +/- 1.80   0.000% *  0.5370% (0.31 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  16.04 +/- 0.94   0.002% *  0.0434% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  19.50 +/- 1.04   0.000% *  0.1330% (0.76  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  21.20 +/- 1.92   0.000% *  0.0985% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  24.16 +/- 1.30   0.000% *  0.1560% (0.90  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  20.65 +/- 1.70   0.000% *  0.0593% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  24.95 +/- 1.45   0.000% *  0.0915% (0.53  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  20.23 +/- 1.23   0.000% *  0.0268% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3354 (7.46, 1.35, 61.60 ppm):
    3 chemical-shift based assignments, quality = 0.563, support = 1.8, residual support = 9.19:
      O   HN    ALA  124 - QB    ALA  124   2.39 +/- 0.33  98.166% * 79.3120% (0.57  10.0   1.81   9.23) =  99.518%  kept
          HN    LEU  123 - QB    ALA  124   5.39 +/- 0.51   1.833% * 20.5818% (0.98   1.0   2.72  12.29) =   0.482%
          HE21  GLN   17 - QB    ALA  124  18.78 +/- 2.65   0.001% *  0.1062% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 1.81, residual support = 9.23:
      O   HN    ALA  124 - HA    ALA  124   2.71 +/- 0.26  98.382% * 99.7396% (0.98  10.0   1.81   9.23) =  99.999%  kept
          HN    LEU  123 - HA    ALA  124   5.64 +/- 0.31   1.562% *  0.0900% (0.80   1.0   0.02  12.29) =   0.001%
          HN    ALA  120 - HA    ALA  124   9.82 +/- 0.36   0.051% *  0.0197% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  22.74 +/- 2.93   0.000% *  0.1123% (1.00   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  16.99 +/- 1.49   0.002% *  0.0130% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  19.95 +/- 3.14   0.001% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  18.83 +/- 2.19   0.001% *  0.0104% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  21.13 +/- 1.66   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 = 0.948, support = 4.48, residual support = 46.5:
      O   HN    ALA  124 - HA    LEU  123   2.28 +/- 0.01  78.730% * 55.0021% (0.98  10.0   4.09  12.29) =  82.006%  kept
      O   HN    LEU  123 - HA    LEU  123   2.85 +/- 0.05  21.147% * 44.9320% (0.80  10.0   6.26 202.47) =  17.994%  kept
          HN    ALA  120 - HA    LEU  123   6.73 +/- 0.21   0.123% *  0.0098% (0.18   1.0   0.02  24.96) =   0.000%
          HE21  GLN   17 - HA    LEU  123  20.04 +/- 2.74   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  15.01 +/- 2.63 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.23 A violated in 20 structures by 11.79 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   2.29 +/- 0.11  99.999% * 99.7350% (0.69  10.0   5.97  22.40) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  23.52 +/- 1.97   0.000% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  24.23 +/- 3.21   0.000% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.35 +/- 0.60   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  21.33 +/- 1.39   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 = 14.5:
      O   HN    PHE   95 - HA    THR   94   2.20 +/- 0.08 100.000% *100.0000% (0.73  10.0   3.16  14.54) = 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 = 5.94, residual support = 81.6:
      O   HN    LEU   80 - HB2   LEU   80   2.41 +/- 0.38  99.995% * 99.7811% (1.00  10.0   5.94  81.59) = 100.000%  kept
          HN    CYS   53 - HB2   LEU   80  16.14 +/- 1.47   0.001% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   LEU   80  17.83 +/- 2.85   0.001% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  15.61 +/- 2.99   0.002% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.27, residual support = 81.6:
      O   HN    LEU   80 - HB3   LEU   80   3.41 +/- 0.17  99.967% * 99.7811% (1.00  10.0   6.27  81.59) = 100.000%  kept
          HN    CYS   53 - HB3   LEU   80  16.87 +/- 1.57   0.008% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   LEU   80  18.04 +/- 3.05   0.007% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  15.62 +/- 3.25   0.019% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.02, residual support = 81.6:
      O   HA    LEU   80 - HB3   LEU   80   2.61 +/- 0.19  97.513% * 99.6901% (0.98  10.0   5.02  81.59) =  99.998%  kept
          HA    THR   23 - HB3   LEU   80   6.25 +/- 2.34   2.018% *  0.0912% (0.90   1.0   0.02   4.10) =   0.002%
          HB    THR   23 - HB3   LEU   80   8.19 +/- 2.39   0.265% *  0.0912% (0.90   1.0   0.02   4.10) =   0.000%
          HA    ASP-  78 - HB3   LEU   80   7.76 +/- 0.57   0.205% *  0.0617% (0.61   1.0   0.02   3.69) =   0.000%
          HA    ASP- 105 - HB3   LEU   80  22.00 +/- 2.78   0.000% *  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 = 0.521, support = 3.94, residual support = 81.6:
      O   QD2   LEU   80 - HB3   LEU   80   2.56 +/- 0.37  66.900% * 77.3053% (0.57  10.0  1.00   3.80  81.59) =  89.434%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.96 +/- 0.32  33.064% * 18.4793% (0.14  10.0  1.00   5.06  81.59) =  10.566%  kept
        T QD1   LEU   73 - HB3   LEU   80  10.08 +/- 2.19   0.023% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   80  16.43 +/- 2.28   0.001% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  18.19 +/- 2.30   0.001% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  12.73 +/- 2.55   0.006% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  20.12 +/- 2.56   0.000% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  13.03 +/- 2.69   0.005% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  19.13 +/- 2.10   0.000% *  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 = 0.634, support = 4.38, residual support = 80.8:
      O   HA    LEU   80 - HG    LEU   80   3.40 +/- 0.46  76.338% * 95.7832% (0.63  10.0   4.42  81.59) =  99.027%  kept
          HA    THR   23 - HG    LEU   80   5.11 +/- 2.54  20.954% *  3.4205% (0.58   1.0   0.78   4.10) =   0.971%  kept
          HB    THR   23 - HG    LEU   80   7.08 +/- 2.48   1.604% *  0.0876% (0.58   1.0   0.02   4.10) =   0.002%
          HA    ASP-  78 - HG    LEU   80   8.58 +/- 0.84   0.599% *  0.0593% (0.39   1.0   0.02   3.69) =   0.000%
          HA    ASP- 105 - HG    LEU   40   9.79 +/- 0.72   0.190% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   73  11.56 +/- 1.58   0.134% *  0.0348% (0.23   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  12.19 +/- 1.33   0.076% *  0.0348% (0.23   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  13.36 +/- 0.44   0.027% *  0.0298% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  13.53 +/- 0.71   0.025% *  0.0298% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  14.59 +/- 1.70   0.018% *  0.0380% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.91 +/- 1.18   0.010% *  0.0251% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  17.37 +/- 1.70   0.006% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  20.34 +/- 1.55   0.003% *  0.0659% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.28 +/- 0.70   0.007% *  0.0235% (0.16   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  21.01 +/- 1.19   0.002% *  0.0659% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  22.07 +/- 3.01   0.002% *  0.0632% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  22.40 +/- 2.20   0.001% *  0.0721% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.11 +/- 1.33   0.003% *  0.0215% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  19.72 +/- 0.80   0.003% *  0.0202% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  24.50 +/- 0.96   0.001% *  0.0446% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.181, support = 5.55, residual support = 163.0:
          HN    LEU   73 - HG    LEU   73   3.17 +/- 0.74  48.410% * 46.2859% (0.20   5.68 170.80) =  82.922%  kept
          HN    ILE   19 - HG12  ILE   19   3.22 +/- 0.71  36.970% *  8.8846% (0.03   6.30 175.14) =  12.155%  kept
          HN    VAL   42 - HG    LEU   40   5.31 +/- 0.93   1.965% * 36.0565% (0.37   2.33   1.25) =   2.622%  kept
          HN    VAL   42 - HG    LEU   73   4.34 +/- 1.24  10.212% *  6.0676% (0.20   0.74   1.54) =   2.293%  kept
          HN    LEU   73 - HG12  ILE   19   6.30 +/- 1.21   0.732% *  0.1397% (0.17   0.02   4.00) =   0.004%
          HN    ILE   19 - HG    LEU   73   5.33 +/- 0.52   1.499% *  0.0329% (0.04   0.02   4.00) =   0.002%
          HN    LEU   73 - HG    LEU   40   9.05 +/- 0.69   0.052% *  0.3090% (0.37   0.02   0.02) =   0.001%
          HN    VAL   42 - HG12  ILE   19   8.35 +/- 1.37   0.111% *  0.1397% (0.17   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  10.70 +/- 0.67   0.019% *  0.3377% (0.41   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  12.99 +/- 2.63   0.010% *  0.4106% (0.49   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  15.06 +/- 3.00   0.004% *  0.4106% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.95 +/- 0.49   0.009% *  0.0624% (0.08   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.58 +/- 1.10   0.002% *  0.1781% (0.21   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  14.48 +/- 2.45   0.004% *  0.0829% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  20.88 +/- 2.98   0.000% *  0.4488% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  19.87 +/- 1.34   0.000% *  0.1527% (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 = 5.81, residual support = 171.2:
      O T HA    LYS+  99 - HB3   LYS+  99   2.80 +/- 0.29  95.500% * 97.7927% (0.76  10.0 10.00   5.81 171.16) =  99.996%  kept
          HA    LEU   40 - HB3   LYS+  99   4.77 +/- 0.62   4.410% *  0.0828% (0.65   1.0  1.00   0.02  12.50) =   0.004%
          HA    ASN   35 - HB3   LYS+  99   9.80 +/- 0.73   0.073% *  0.1148% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  13.92 +/- 2.38   0.013% *  0.1254% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  22.17 +/- 1.22   0.000% *  1.1812% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  21.76 +/- 1.73   0.001% *  0.5261% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  18.32 +/- 1.36   0.001% *  0.0574% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  21.79 +/- 0.96   0.000% *  0.0623% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  23.50 +/- 2.07   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 = 3.7, residual support = 171.2:
      O   HN    LYS+  99 - HB3   LYS+  99   3.00 +/- 0.26  96.792% * 99.4797% (0.31  10.0   3.70 171.16) =  99.997%  kept
          HE1   HIS  122 - HB3   LYS+  99   9.15 +/- 4.24   3.166% *  0.0804% (0.25   1.0   0.02   0.02) =   0.003%
          HN    ASN   35 - HB3   LYS+  99  11.33 +/- 0.63   0.041% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  21.84 +/- 1.77   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  26.66 +/- 2.51   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 1.48, residual support = 16.9:
        T QD1   LEU  104 - HB3   LYS+  99   2.23 +/- 0.39  99.996% * 96.9371% (0.41 10.00   1.48  16.88) = 100.000%  kept
        T QG2   ILE   89 - HB3   LYS+  99  18.94 +/- 2.16   0.001% *  2.6537% (0.84 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LYS+  99  18.42 +/- 3.58   0.001% *  0.2756% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  15.00 +/- 2.11   0.002% *  0.0629% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  18.47 +/- 2.52   0.001% *  0.0707% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.99, residual support = 12.5:
        T QD2   LEU   40 - HB3   LYS+  99   3.10 +/- 0.78  97.905% * 99.6044% (0.76 10.00   1.99  12.50) =  99.998%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.00 +/- 0.46   1.834% *  0.0796% (0.61  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB3   LYS+  99  10.64 +/- 2.50   0.222% *  0.0953% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LYS+  99  13.19 +/- 2.55   0.033% *  0.0327% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   LYS+  99  18.23 +/- 1.14   0.004% *  0.1241% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  20.74 +/- 0.93   0.002% *  0.0639% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 1 structures by 0.08 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.43, residual support = 171.2:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.60 +/- 0.17  99.934% * 99.4593% (0.97  10.0   5.43 171.16) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99  10.01 +/- 0.83   0.037% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  13.31 +/- 1.06   0.007% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  12.68 +/- 1.99   0.015% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  14.73 +/- 1.01   0.004% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  16.53 +/- 1.01   0.002% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  18.74 +/- 1.19   0.001% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  21.84 +/- 2.51   0.000% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  22.46 +/- 2.58   0.000% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  23.35 +/- 3.02   0.000% *  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 = 171.2:
      O T HB2   LYS+  99 - HA    LYS+  99   2.69 +/- 0.27  99.970% * 99.7492% (0.99  10.0 10.00   7.00 171.16) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  10.96 +/- 0.69   0.028% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  18.70 +/- 0.97   0.001% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  24.95 +/- 1.46   0.000% *  0.0986% (0.98   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 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.565, support = 5.16, residual support = 182.4:
      O T QD    LYS+  99 - HG3   LYS+  99   2.38 +/- 0.16  53.099% * 20.0954% (0.34  10.0 10.00   5.27 171.16) =  41.234%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.96 +/- 0.19  15.282% * 58.3907% (0.99  10.0  1.00   5.01 171.16) =  34.483%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.65 +/- 0.27  31.489% * 19.9563% (0.34  10.0 10.00   5.20 217.33) =  24.283%  kept
        T QD    LYS+  99 - HG3   LYS+  38   7.91 +/- 1.33   0.086% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG12  ILE   89  12.40 +/- 3.87   0.009% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  13.10 +/- 0.57   0.002% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38   9.35 +/- 1.54   0.028% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.71 +/- 1.32   0.000% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  13.26 +/- 1.58   0.002% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  24.41 +/- 2.22   0.000% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  15.56 +/- 1.19   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  22.51 +/- 2.45   0.000% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.77 +/- 1.58   0.000% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  23.73 +/- 1.13   0.000% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  16.33 +/- 2.14   0.001% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  23.02 +/- 2.96   0.000% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  17.02 +/- 0.84   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  28.43 +/- 2.26   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 = 171.2:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.49 +/- 0.17  99.875% * 97.9462% (0.99  10.0 10.00   6.44 171.16) = 100.000%  kept
        T HB    VAL   43 - HG12  ILE   89  12.26 +/- 2.15   0.017% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG3   LYS+  38   9.62 +/- 1.36   0.048% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.40 +/- 0.64   0.005% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89   9.85 +/- 1.79   0.053% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  22.62 +/- 2.63   0.000% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  19.98 +/- 1.90   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.24 +/- 1.13   0.001% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  27.09 +/- 1.22   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  25.36 +/- 1.77   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  20.76 +/- 1.60   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  29.34 +/- 1.51   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 0.01 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 123.5:
    * O   HA    GLN  116 - HG3   GLN  116   3.33 +/- 0.39  99.988% * 99.5202% (1.00  10.0   5.51 123.52) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  19.23 +/- 2.28   0.004% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  19.47 +/- 1.98   0.003% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  20.63 +/- 2.21   0.003% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  22.68 +/- 2.38   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  27.01 +/- 2.26   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  29.86 +/- 2.21   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  31.22 +/- 2.07   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  31.87 +/- 2.05   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.07, residual support = 123.5:
      O   HB2   GLN  116 - HG3   GLN  116   2.38 +/- 0.23  99.856% * 99.6757% (0.98  10.0   6.07 123.52) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116   9.70 +/- 1.96   0.142% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  15.64 +/- 1.85   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  25.77 +/- 2.25   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  25.71 +/- 1.87   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  28.61 +/- 1.85   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.12, residual support = 100.9:
          QD2   LEU  115 - HG3   GLN  116   4.08 +/- 1.10  84.439% * 98.8218% (0.97   7.12 100.94) =  99.976%  kept
          QD1   LEU   63 - HG3   GLN  116   8.37 +/- 2.12   8.350% *  0.1976% (0.69   0.02   0.02) =   0.020%
          QD2   LEU   63 - HG3   GLN  116   8.77 +/- 2.19   7.175% *  0.0444% (0.15   0.02   0.02) =   0.004%
          QD1   LEU  104 - HG3   GLN  116  15.48 +/- 1.71   0.025% *  0.2820% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  19.33 +/- 1.53   0.006% *  0.1976% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  22.85 +/- 1.63   0.002% *  0.2820% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  23.44 +/- 2.55   0.003% *  0.1745% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 3 structures by 0.52 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.48, residual support = 123.5:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.7025% (0.98  10.0  1.00   6.48 123.52) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  12.75 +/- 1.50   0.001% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  34.12 +/- 2.14   0.000% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3385 (2.50, 2.50, 34.75 ppm):
    1 diagonal assignment:
    *     HG3   GLN  116 - HG3   GLN  116  (1.00)  kept
 
    Peak 3386 (7.40, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 4.04, residual support = 123.5:
      O   HE21  GLN  116 - HG3   GLN  116   3.58 +/- 0.42  95.702% * 99.6819% (0.69  10.0   4.04 123.52) =  99.998%  kept
          HN    ALA  120 - HG3   GLN  116   6.41 +/- 0.45   4.116% *  0.0448% (0.31   1.0   0.02   0.30) =   0.002%
          HN    ALA   57 - HG3   GLN  116  11.33 +/- 1.82   0.181% *  0.1109% (0.76   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  27.55 +/- 2.20   0.001% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  29.83 +/- 2.73   0.000% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 7.7, residual support = 123.5:
          HN    GLN  116 - HG3   GLN  116   3.84 +/- 0.16  95.283% * 99.0044% (0.69   7.70 123.52) =  99.988%  kept
          HN    THR  118 - HG3   GLN  116   7.19 +/- 0.40   2.446% *  0.3456% (0.92   0.02   0.02) =   0.009%
          HN    GLU- 114 - HG3   GLN  116   7.50 +/- 0.52   1.879% *  0.0934% (0.25   0.02   0.27) =   0.002%
          HN    PHE   60 - HG3   GLN  116  10.71 +/- 1.56   0.391% *  0.3744% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  15 - HG3   GLN  116  25.88 +/- 2.01   0.001% *  0.1822% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.916, support = 6.54, residual support = 175.6:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  48.913% * 88.2996% (1.00  10.0 10.00   6.55 171.16) =  90.832%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  48.913% *  8.9120% (0.10  10.0 10.00   6.44 219.50) =   9.168%  kept
          QB    ALA   84 - HG12  ILE   89   4.67 +/- 1.52   1.826% *  0.0063% (0.07   1.0  1.00   0.02  12.23) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.52 +/- 1.00   0.005% *  0.8540% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG12  ILE   89   4.72 +/- 0.35   0.142% *  0.0247% (0.28   1.0  1.00   0.02   8.27) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   7.23 +/- 1.35   0.024% *  0.0921% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG12  ILE   89   5.76 +/- 1.39   0.160% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.73 +/- 2.29   0.006% *  0.0261% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.53 +/- 0.97   0.006% *  0.0221% (0.25   1.0  1.00   0.02  17.41) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  16.50 +/- 4.30   0.000% *  0.3313% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  12.53 +/- 2.44   0.001% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.32 +/- 0.87   0.000% *  0.0768% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.18 +/- 2.36   0.000% *  0.8169% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.36 +/- 1.28   0.000% *  0.0537% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  11.14 +/- 1.73   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  13.06 +/- 1.49   0.000% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.67 +/- 0.89   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.45 +/- 1.01   0.000% *  0.0431% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.86 +/- 2.22   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  18.76 +/- 2.88   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  16.79 +/- 3.13   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.69 +/- 0.71   0.000% *  0.0273% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  19.51 +/- 2.08   0.000% *  0.0218% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  23.09 +/- 2.23   0.000% *  0.0608% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  24.16 +/- 2.42   0.000% *  0.0643% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  16.75 +/- 2.70   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  24.73 +/- 2.73   0.000% *  0.0358% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  22.06 +/- 1.32   0.000% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.69 +/- 1.01   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.34 +/- 1.32   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  28.58 +/- 2.62   0.000% *  0.0346% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  25.99 +/- 2.15   0.000% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.58 +/- 0.90   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  25.99 +/- 3.07   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.68 +/- 0.79   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  26.53 +/- 2.45   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.94 +/- 2.04   0.000% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  24.66 +/- 1.91   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  26.99 +/- 1.17   0.000% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2700
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    113
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1748
      with multiple volume contributions     :    483
      eliminated by violation filter         :    101
 
    Peaks:
      selected                               :   2700
      without assignment                     :    126
      with assignment                        :   2574
      with unique assignment                 :   2032
      with multiple assignment               :    542
      with reference assignment              :   1605
      with identical reference assignment    :   1273
      with compatible reference assignment   :    324
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    969
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.0
    QB    LYS+  33       2.9
    QD2   LEU   40       4.0
    QD    PHE   45       3.0
    QG2   ILE   56       3.0
    QD    PHE   59       3.8
    QD    PHE   60       2.7
    HN    LYS+  65       6.0
    HZ    PHE   72       2.8
    HA    LEU   73       3.0
    QD1   ILE   89       3.1
    HB3   MET   96       3.0
    HA    THR  118       5.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.93, residual support = 71.5:
        T HA    PHE   60 - QD    PHE   60   2.52 +/- 0.39  99.855% * 98.3426% (0.87 10.00   3.93  71.50) = 100.000%  kept
        T QB    SER   48 - QD    PHE   60  11.45 +/- 1.66   0.040% *  0.4255% (0.38 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - QD    PHE   60  12.23 +/- 0.93   0.011% *  1.0168% (0.90 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    PHE   60   9.42 +/- 0.71   0.062% *  0.0552% (0.49  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  12.60 +/- 1.46   0.021% *  0.0733% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  14.30 +/- 1.07   0.004% *  0.0642% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  13.06 +/- 1.08   0.007% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (7.19, 7.19, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   59 - QD    PHE   59  (1.00)  kept
 
    Peak 40 (6.35, 6.35, 121.95 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   27 - HZ3   TRP   27  (1.00)  kept
 
    Peak 43 (7.13, 7.13, 121.44 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   87 - HZ3   TRP   87  (1.00)  kept
 
    Peak 44 (7.70, 7.13, 121.44 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 1.06, residual support = 74.4:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.631% * 99.2835% (0.69  10.0   1.06  74.42) =  99.999%  kept
          HN    TRP   87 - HZ3   TRP   87   6.45 +/- 0.43   0.364% *  0.1658% (0.61   1.0   0.02  74.42) =   0.001%
          HN    ALA   91 - HZ3   TRP   87  13.73 +/- 1.06   0.004% *  0.0844% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  24.99 +/- 5.00   0.000% *  0.1548% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  25.05 +/- 3.75   0.000% *  0.2089% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  22.05 +/- 2.43   0.000% *  0.1026% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 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  21.80 +/- 1.98 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.22 A violated in 20 structures by 16.58 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.05, residual support = 5.26:
          QB    ALA   20 - HE1   HIS   22   3.92 +/- 0.28  99.974% * 93.0490% (0.76   1.05   5.26) = 100.000%  kept
          QG2   VAL  107 - HE1   HIS   22  18.49 +/- 1.32   0.011% *  2.1938% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  19.06 +/- 0.74   0.008% *  0.5783% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  23.59 +/- 1.49   0.002% *  1.2201% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  22.78 +/- 2.07   0.003% *  0.6448% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  29.16 +/- 1.95   0.001% *  2.3140% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.3, support = 5.16, residual support = 48.8:
          HN    ASN   28 - HD1   TRP   27   3.91 +/- 0.42  94.851% * 36.3400% (0.25   5.37  52.40) =  93.085%  kept
          HN    GLU-  25 - HD1   TRP   27   7.06 +/- 0.86   4.053% * 63.0437% (0.99   2.34   0.16) =   6.900%  kept
          HN    ASP-  44 - HD1   TRP   27   8.70 +/- 0.99   1.090% *  0.5325% (0.98   0.02   0.02) =   0.016%
          HN    ALA  110 - HD1   TRP   27  20.45 +/- 2.00   0.006% *  0.0838% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.37, residual support = 106.6:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.37 106.57) = 100.000%  kept
    Distance limit 3.98 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 = 1.53, residual support = 106.6:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.999% * 99.9797% (0.89  10.0   1.53 106.57) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  17.04 +/- 2.13   0.001% *  0.0203% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 51 (4.49, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.957, support = 4.11, residual support = 106.6:
          HA    TRP   27 - HE3   TRP   27   3.53 +/- 1.54  99.651% * 98.5216% (0.96   4.11 106.57) =  99.999%  kept
          HA    ALA   91 - HE3   TRP   27  15.63 +/- 2.46   0.136% *  0.4926% (0.98   0.02   0.02) =   0.001%
          HA    VAL  107 - HE3   TRP   27  17.54 +/- 0.89   0.038% *  0.4588% (0.91   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  15.95 +/- 1.43   0.054% *  0.0714% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  17.48 +/- 0.79   0.035% *  0.0746% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  21.15 +/- 1.76   0.014% *  0.1865% (0.37   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  19.66 +/- 2.35   0.025% *  0.0767% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  18.60 +/- 3.10   0.033% *  0.0119% (0.02   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  23.81 +/- 1.45   0.005% *  0.0767% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  21.22 +/- 1.16   0.009% *  0.0290% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.29 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.5, residual support = 106.6:
      O   HB3   TRP   27 - HE3   TRP   27   3.10 +/- 0.23  99.847% * 98.0783% (0.17  10.0   4.50 106.57) = 100.000%  kept
          QE    LYS+  99 - HN    LEU   67  10.87 +/- 1.23   0.086% *  0.0728% (0.13   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HE3   TRP   27  16.09 +/- 1.87   0.008% *  0.5405% (0.96   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HE3   TRP   27  15.85 +/- 1.38   0.007% *  0.4678% (0.83   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  18.31 +/- 1.69   0.003% *  0.5551% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  14.53 +/- 0.88   0.011% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  12.69 +/- 1.48   0.030% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  17.42 +/- 1.47   0.005% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  19.75 +/- 1.09   0.002% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  18.22 +/- 1.19   0.003% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 0.885, support = 1.47, residual support = 9.74:
          QG1   VAL   43 - HE3   TRP   27   4.78 +/- 0.72  46.259% * 71.7284% (0.99   1.50   8.31) =  84.753%  kept
          QD2   LEU   73 - HE3   TRP   27   5.46 +/- 1.32  26.141% * 19.4586% (0.28   1.46  18.63) =  12.993%  kept
          HG    LEU   31 - HE3   TRP   27   6.03 +/- 1.58  18.187% *  4.6579% (0.41   0.24  12.73) =   2.164%  kept
          QD1   ILE   19 - HE3   TRP   27   8.24 +/- 1.95   2.692% *  0.4655% (0.48   0.02   0.02) =   0.032%
          QG1   VAL   41 - HE3   TRP   27   8.97 +/- 1.27   0.915% *  0.9047% (0.94   0.02   0.02) =   0.021%
          QG2   THR   46 - HE3   TRP   27   9.41 +/- 1.08   0.744% *  0.7988% (0.83   0.02   0.02) =   0.015%
          QG2   VAL   18 - HN    LEU   67   7.13 +/- 0.70   3.609% *  0.1374% (0.14   0.02   0.02) =   0.013%
          QG2   VAL   18 - HE3   TRP   27  10.52 +/- 1.13   0.301% *  0.8828% (0.91   0.02   0.02) =   0.007%
          QD1   ILE   19 - HN    LEU   67  10.75 +/- 1.64   0.370% *  0.0724% (0.08   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    LEU   67  12.09 +/- 0.39   0.120% *  0.1408% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    LEU   67  12.32 +/- 0.42   0.104% *  0.1488% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LEU   67  10.09 +/- 0.47   0.339% *  0.0414% (0.04   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE3   TRP   27  15.13 +/- 1.32   0.034% *  0.3262% (0.34   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  13.45 +/- 0.99   0.065% *  0.1243% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  13.27 +/- 1.57   0.107% *  0.0508% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  17.42 +/- 0.94   0.014% *  0.0612% (0.06   0.02   0.02) =   0.000%
    Distance limit 5.22 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 = 0.543, support = 4.61, residual support = 15.1:
          QD1   LEU   73 - HE3   TRP   27   3.71 +/- 1.27  51.305% * 48.8121% (0.37   6.02  18.63) =  55.157%  kept
          QD2   LEU   80 - HE3   TRP   27   4.98 +/- 3.51  42.366% * 47.7979% (0.76   2.90  10.87) =  44.600%  kept
          QG1   VAL   83 - HE3   TRP   27   6.73 +/- 4.06   5.254% *  2.0921% (0.89   0.11   0.81) =   0.242%
          QD1   LEU   63 - HN    LEU   67   6.37 +/- 0.41   0.905% *  0.0252% (0.06   0.02   0.02) =   0.001%
          QG2   ILE   89 - HE3   TRP   27  10.75 +/- 2.09   0.053% *  0.1201% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  11.58 +/- 1.37   0.036% *  0.0636% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  10.49 +/- 1.12   0.040% *  0.0488% (0.11   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  12.72 +/- 1.32   0.012% *  0.1621% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  14.99 +/- 1.21   0.004% *  0.4087% (0.94   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  16.69 +/- 2.37   0.004% *  0.3137% (0.72   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  11.89 +/- 0.30   0.018% *  0.0252% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  18.43 +/- 1.62   0.001% *  0.0514% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  20.12 +/- 2.46   0.001% *  0.0603% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  18.73 +/- 1.78   0.001% *  0.0187% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (0.12, 7.32, 120.14 ppm):
    4 chemical-shift based assignments, quality = 0.72, support = 1.28, residual support = 4.02:
          QG2   VAL   75 - HE3   TRP   27   3.39 +/- 1.22  95.146% * 98.3816% (0.72   1.28   4.02) =  99.976%  kept
          QG2   VAL   42 - HE3   TRP   27   9.47 +/- 1.27   1.364% *  1.1942% (0.56   0.02   0.02) =   0.017%
          QG2   VAL   42 - HN    LEU   67   7.00 +/- 0.80   3.427% *  0.1858% (0.09   0.02   0.02) =   0.007%
          QG2   VAL   75 - HN    LEU   67  14.15 +/- 0.50   0.064% *  0.2383% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 2 structures by 0.19 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.51, residual support = 34.5:
      O T HB2   HIS   22 - HD2   HIS   22   3.61 +/- 0.30  99.992% * 99.9216% (0.92  10.0 10.00   2.51  34.50) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  18.73 +/- 1.35   0.006% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  23.66 +/- 1.81   0.002% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.12, residual support = 34.5:
      O T HB3   HIS   22 - HD2   HIS   22   3.74 +/- 0.24  99.988% * 99.8217% (0.45  10.0 10.00   3.12  34.50) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  18.41 +/- 2.66   0.012% *  0.1783% (0.80   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 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.872, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22   7.58 +/- 1.50  73.213% * 29.7119% (0.92   0.02   0.02) =  83.101%  kept
          HB3   ASP-  78 - HD2   HIS   22  10.46 +/- 2.02  16.217% * 19.5221% (0.61   0.02   0.02) =  12.095%  kept
          QB    CYS   50 - HD2   HIS   22  13.60 +/- 2.14   2.975% * 28.8658% (0.90   0.02   0.02) =   3.281%  kept
          HB2   PHE   72 - HD2   HIS   22  11.41 +/- 0.81   7.415% *  4.9662% (0.15   0.02   0.02) =   1.407%  kept
          HB3   ASN   69 - HD2   HIS   22  22.01 +/- 0.82   0.179% * 16.9340% (0.53   0.02   0.02) =   0.116%
    Distance limit 5.27 A violated in 18 structures by 1.99 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.12, residual support = 5.26:
        T QB    ALA   20 - HD2   HIS   22   3.14 +/- 0.69  99.953% * 98.9678% (0.28 10.00   2.12   5.26) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  16.96 +/- 1.36   0.009% *  0.3088% (0.87  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  13.78 +/- 1.38   0.033% *  0.0704% (0.20  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  20.17 +/- 1.43   0.004% *  0.3435% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  26.71 +/- 1.49   0.001% *  0.2303% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  25.39 +/- 2.13   0.001% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  20.09 +/- 1.96 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.21 A violated in 20 structures by 14.88 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.02, residual support = 6.54:
          HA    CYS   21 - HD2   HIS   22   3.76 +/- 0.33  99.725% * 97.2546% (0.95   3.02   6.54) =  99.999%  kept
          HA    ALA   47 - HD2   HIS   22  11.64 +/- 1.58   0.207% *  0.1892% (0.28   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   HIS   22  16.64 +/- 2.92   0.032% *  0.6438% (0.95   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   HIS   22  16.32 +/- 1.88   0.024% *  0.6806% (1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  23.03 +/- 1.81   0.003% *  0.6568% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  23.40 +/- 1.60   0.002% *  0.4403% (0.65   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  19.80 +/- 1.89   0.007% *  0.1347% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 3.22, residual support = 52.2:
          HA    ASN   28 - HD1   TRP   27   4.01 +/- 0.93  95.930% * 79.9681% (1.00   3.23  52.40) =  99.326%  kept
          HA    THR   26 - HD1   TRP   27   7.43 +/- 0.61   2.942% * 17.6129% (0.28   2.55  22.20) =   0.671%  kept
          HA    ALA   34 - HD1   TRP   27  11.83 +/- 2.39   0.185% *  0.4584% (0.92   0.02   0.02) =   0.001%
          HA    LYS+  81 - HD1   TRP   27  13.16 +/- 3.11   0.771% *  0.0983% (0.20   0.02   0.02) =   0.001%
          HA1   GLY  101 - HD1   TRP   27  14.32 +/- 4.34   0.119% *  0.3795% (0.76   0.02   0.02) =   0.001%
          HA    LEU  115 - HD1   TRP   27  20.38 +/- 1.60   0.008% *  0.4922% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  20.89 +/- 1.45   0.010% *  0.3411% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  15.74 +/- 1.97   0.030% *  0.0672% (0.14   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  23.86 +/- 1.20   0.003% *  0.3012% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  26.86 +/- 3.00   0.002% *  0.2811% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.83, residual support = 22.7:
          HA    VAL   24 - HD1   TRP   27   4.13 +/- 1.10  99.675% * 99.4939% (1.00   4.83  22.72) =  99.999%  kept
          HA    LYS+  38 - HD1   TRP   27  15.37 +/- 2.43   0.220% *  0.2836% (0.69   0.02   0.02) =   0.001%
          HD2   PRO   68 - HD1   TRP   27  19.77 +/- 2.67   0.042% *  0.1408% (0.34   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  17.29 +/- 1.66   0.063% *  0.0817% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.31 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.66, residual support = 106.6:
      O T HB2   TRP   27 - HD1   TRP   27   3.17 +/- 0.55  99.931% * 99.7544% (0.65  10.0 10.00   3.66 106.57) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27  11.12 +/- 2.18   0.066% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  18.58 +/- 0.83   0.003% *  0.0998% (0.65   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 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.09, residual support = 106.6:
      O T HB3   TRP   27 - HD1   TRP   27   3.51 +/- 0.14  99.935% * 99.6316% (0.73  10.0 10.00   4.09 106.57) = 100.000%  kept
          QE    LYS+ 106 - HD1   TRP   27  15.30 +/- 2.00   0.023% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HD1   TRP   27  14.93 +/- 2.00   0.025% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  15.52 +/- 1.47   0.017% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (1.08, 7.19, 127.61 ppm):
    6 chemical-shift based assignments, quality = 0.685, support = 2.6, residual support = 22.7:
          QG2   VAL   24 - HD1   TRP   27   4.33 +/- 1.50  65.049% * 68.2177% (0.76  1.00   2.61  22.72) =  82.688%  kept
          QG1   VAL   24 - HD1   TRP   27   5.10 +/- 1.30  34.859% * 26.6442% (0.31  1.00   2.53  22.72) =  17.307%  kept
        T QG1   VAL  107 - HD1   TRP   27  15.59 +/- 1.19   0.058% *  4.4195% (0.65 10.00   0.02   0.02) =   0.005%
          HG    LEU   63 - HD1   TRP   27  18.09 +/- 1.81   0.030% *  0.4144% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  25.78 +/- 2.09   0.003% *  0.1521% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  25.84 +/- 2.25   0.002% *  0.1521% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.05 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.622, support = 3.15, residual support = 15.1:
          QD1   LEU   73 - HD1   TRP   27   4.38 +/- 2.08  59.356% * 36.1253% (0.49   3.55  18.63) =  63.184%  kept
          QD2   LEU   80 - HD1   TRP   27   5.80 +/- 2.94  19.692% * 51.8523% (0.87   2.86  10.87) =  30.088%  kept
          QG1   VAL   83 - HD1   TRP   27   6.64 +/- 3.78  20.806% * 10.9728% (0.80   0.66   0.81) =   6.727%  kept
          QD1   LEU  104 - HD1   TRP   27  14.94 +/- 2.17   0.021% *  0.4143% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   89 - HD1   TRP   27  11.66 +/- 1.87   0.083% *  0.0827% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  17.91 +/- 2.55   0.017% *  0.3492% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  13.83 +/- 1.35   0.024% *  0.2035% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 1 structures by 0.09 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.807, support = 1.33, residual support = 9.2:
          QD2   LEU   31 - HD1   TRP   27   3.63 +/- 1.75  67.935% * 52.2202% (0.73   1.48  12.73) =  70.370%  kept
          QG2   VAL   83 - HD1   TRP   27   7.04 +/- 3.19  31.839% * 46.9083% (1.00   0.97   0.81) =  29.626%  kept
          QD1   ILE   89 - HD1   TRP   27  11.72 +/- 2.67   0.226% *  0.8714% (0.90   0.02   0.02) =   0.004%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.32, residual support = 106.6:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.996% * 99.7536% (0.28  10.0 10.00   1.32 106.57) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  14.31 +/- 1.77   0.004% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.1, residual support = 106.6:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.10 106.57) = 100.000%  kept
    Distance limit 5.26 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 = 1.53, residual support = 106.6:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.877% * 99.6479% (1.00  10.0   1.53 106.57) = 100.000%  kept
          HN    THR   23 - HZ3   TRP   27   8.41 +/- 0.96   0.084% *  0.0789% (0.61   1.0   0.02   1.56) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  11.14 +/- 1.01   0.015% *  0.0842% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  12.24 +/- 3.77   0.023% *  0.0290% (0.22   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  19.09 +/- 1.73   0.001% *  0.1275% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  17.04 +/- 2.13   0.001% *  0.0324% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 5.30 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 = 0.919, support = 1.34, residual support = 8.31:
        T QG1   VAL   43 - HH2   TRP   27   2.69 +/- 0.58  87.378% * 88.8571% (0.92 10.00   1.35   8.31) =  99.167%  kept
          HG    LEU   31 - HH2   TRP   27   5.77 +/- 2.00   7.313% *  5.8672% (0.65  1.00   1.27  12.73) =   0.548%  kept
          QD2   LEU   73 - HH2   TRP   27   6.56 +/- 1.91   4.593% *  4.8418% (0.49  1.00   1.39  18.63) =   0.284%
          QG1   VAL   41 - HH2   TRP   27   7.46 +/- 1.72   0.576% *  0.1427% (1.00  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HH2   TRP   27   9.69 +/- 1.09   0.067% *  0.0868% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   27  11.34 +/- 1.61   0.022% *  0.1039% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27  10.40 +/- 1.82   0.029% *  0.0398% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  12.39 +/- 1.47   0.015% *  0.0251% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  13.71 +/- 1.16   0.008% *  0.0357% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 0.915, support = 2.67, residual support = 8.48:
        T QG1   VAL   43 - HZ3   TRP   27   3.80 +/- 0.45  63.875% * 91.7895% (0.92 10.00   2.69   8.31) =  97.808%  kept
          QD2   LEU   73 - HZ3   TRP   27   5.76 +/- 2.27  18.804% *  3.8308% (0.49  1.00   1.58  18.63) =   1.202%  kept
          HG    LEU   31 - HZ3   TRP   27   6.19 +/- 2.29  14.504% *  4.0781% (0.65  1.00   1.27  12.73) =   0.987%  kept
          QG1   VAL   41 - HZ3   TRP   27   8.30 +/- 2.11   1.442% *  0.0992% (1.00  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HZ3   TRP   27   9.20 +/- 1.22   0.585% *  0.0603% (0.61  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HZ3   TRP   27   9.19 +/- 2.54   0.586% *  0.0276% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HZ3   TRP   27  10.60 +/- 1.70   0.143% *  0.0722% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  14.13 +/- 1.18   0.031% *  0.0248% (0.25  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  13.87 +/- 1.68   0.030% *  0.0174% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.876, support = 2.32, residual support = 18.2:
        T QD1   LEU   73 - HZ3   TRP   27   4.12 +/- 2.11  41.373% * 92.9442% (0.90 10.00   2.35  18.63) =  94.442%  kept
          QD2   LEU   80 - HZ3   TRP   27   5.96 +/- 3.94  42.223% *  5.3064% (0.53  1.00   1.95  10.87) =   5.503%  kept
          QD1   LEU   80 - HZ3   TRP   27   7.52 +/- 3.98   6.205% *  0.3101% (0.15  1.00   0.39  10.87) =   0.047%
          QG2   VAL   41 - HZ3   TRP   27   6.12 +/- 2.20   9.714% *  0.0288% (0.28  1.00   0.02   0.02) =   0.007%
        T QD1   LEU   63 - HZ3   TRP   27  11.73 +/- 1.70   0.026% *  0.9294% (0.90 10.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HZ3   TRP   27   7.22 +/- 1.71   0.433% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HZ3   TRP   27  13.79 +/- 1.70   0.008% *  0.3199% (0.31 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  12.94 +/- 1.84   0.013% *  0.0866% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  15.50 +/- 2.34   0.006% *  0.0587% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.12 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 = 0.773, support = 1.69, residual support = 12.3:
        T QD2   LEU   31 - HZ3   TRP   27   4.67 +/- 2.27  50.591% * 95.8485% (0.76 10.00   1.73  12.73) =  96.128%  kept
          QG2   VAL   83 - HZ3   TRP   27   6.42 +/- 4.61  48.492% *  4.0258% (1.00  1.00   0.56   0.81) =   3.870%  kept
          QD1   ILE   89 - HZ3   TRP   27  10.07 +/- 3.08   0.916% *  0.1257% (0.87  1.00   0.02   0.02) =   0.002%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.82, support = 1.54, residual support = 9.87:
          QD2   LEU   31 - HH2   TRP   27   4.61 +/- 1.87  52.377% * 72.1609% (0.76   1.85  12.73) =  76.018%  kept
          QG2   VAL   83 - HH2   TRP   27   6.57 +/- 4.23  44.121% * 26.9551% (1.00   0.53   0.81) =  23.920%  kept
          QD1   ILE   89 - HH2   TRP   27   9.29 +/- 2.96   3.502% *  0.8840% (0.87   0.02   0.02) =   0.062%
    Distance limit 4.63 A violated in 0 structures by 0.03 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.912, support = 2.14, residual support = 16.1:
          QD1   LEU   73 - HH2   TRP   27   4.96 +/- 1.45  33.391% * 57.2752% (1.00   2.26  18.63) =  71.700%  kept
          QD2   LEU   80 - HH2   TRP   27   7.20 +/- 3.45  17.695% * 37.8294% (0.76   1.95  10.87) =  25.096%  kept
          QG1   VAL   83 - HH2   TRP   27   7.29 +/- 4.42  25.045% *  3.3409% (0.15   0.85   0.81) =   3.137%  kept
          QG2   VAL   41 - HH2   TRP   27   5.39 +/- 1.76  23.442% *  0.0686% (0.14   0.02   0.02) =   0.060%
          QD1   LEU   63 - HH2   TRP   27  11.20 +/- 1.60   0.191% *  0.5058% (1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HH2   TRP   27  12.44 +/- 1.67   0.093% *  0.3075% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  115 - HH2   TRP   27  14.81 +/- 2.38   0.065% *  0.4059% (0.80   0.02   0.02) =   0.001%
          QD1   LEU  104 - HH2   TRP   27  12.50 +/- 1.52   0.078% *  0.2667% (0.53   0.02   0.02) =   0.001%
    Distance limit 5.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.32, residual support = 106.6:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.32 106.57) = 100.000%  kept
    Distance limit 3.98 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 = 0.869, support = 2.52, residual support = 51.7:
          HD21  ASN   28 - HZ2   TRP   27   6.05 +/- 0.71  39.147% * 98.1449% (0.87   2.55  52.40) =  98.651%  kept
          HZ2   TRP   87 - HZ2   TRP   27   6.68 +/- 4.92  59.650% *  0.8694% (0.98   0.02   0.02) =   1.332%  kept
          QE    PHE   60 - HZ2   TRP   27  10.54 +/- 1.25   1.108% *  0.6092% (0.69   0.02   0.02) =   0.017%
          HN    LEU   63 - HZ2   TRP   27  16.71 +/- 0.89   0.060% *  0.2212% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  18.54 +/- 1.13   0.035% *  0.1553% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.83, residual support = 106.6:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.83 106.57) = 100.000%  kept
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 0.02, residual support = 0.02:
          HE1   TRP   87 - HZ2   TRP   27   7.77 +/- 4.42 100.000% *100.0000% (0.92   0.02   0.02) = 100.000%  kept
    Distance limit 4.92 A violated in 16 structures by 2.98 A, eliminated.
    Peak unassigned.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.827, support = 1.67, residual support = 9.07:
        T QG2   VAL   43 - HZ2   TRP   27   2.94 +/- 0.78  81.733% * 51.9252% (0.90 10.00   1.17   8.31) =  82.856%  kept
        T QD2   LEU   31 - HZ2   TRP   27   4.07 +/- 0.64  18.267% * 48.0748% (0.49 10.00   4.08  12.73) =  17.144%  kept
    Distance limit 4.42 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 = 0.928, support = 1.25, residual support = 5.21:
        T QD1   ILE   89 - QD    PHE   45   4.74 +/- 1.81  44.550% * 72.3292% (0.90 10.00   0.72   5.27) =  69.894%  kept
          QG2   VAL   83 - QD    PHE   45   4.82 +/- 2.15  50.426% * 27.5087% (1.00  1.00   2.46   5.08) =  30.088%  kept
          QD2   LEU   31 - QD    PHE   45   8.01 +/- 0.73   5.023% *  0.1621% (0.73  1.00   0.02   0.02) =   0.018%
    Distance limit 4.27 A violated in 1 structures by 0.28 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.976, support = 2.64, residual support = 5.13:
          QG2   VAL   83 - QE    PHE   45   3.80 +/- 2.53  67.200% * 50.5888% (0.98   2.65   5.08) =  72.475%  kept
          QD1   ILE   89 - QE    PHE   45   5.12 +/- 1.88  26.224% * 49.1747% (0.97   2.61   5.27) =  27.492%  kept
          QD2   LEU   31 - QE    PHE   45   6.65 +/- 0.77   6.576% *  0.2365% (0.61   0.02   0.02) =   0.033%
    Distance limit 4.18 A violated in 1 structures by 0.32 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.1, residual support = 18.1:
        T QG1   VAL   75 - QD    PHE   45   2.62 +/- 0.50  99.904% * 99.9034% (1.00 10.00   3.10  18.09) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45  10.69 +/- 1.66   0.096% *  0.0966% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 2.13, residual support = 18.1:
        T HB    VAL   75 - QD    PHE   45   3.32 +/- 0.75  98.591% * 99.7392% (0.99 10.00   2.13  18.09) =  99.999%  kept
          HG3   LYS+  74 - QD    PHE   45   8.19 +/- 0.67   0.703% *  0.0378% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    PHE   45  10.06 +/- 0.78   0.245% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    PHE   45  11.03 +/- 0.65   0.139% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD    PHE   45  11.08 +/- 1.21   0.188% *  0.0343% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    PHE   45  12.11 +/- 1.22   0.092% *  0.0610% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  13.60 +/- 0.77   0.042% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.629, support = 2.73, residual support = 9.76:
        T QG2   THR   77 - QD    PHE   45   3.06 +/- 0.59  86.005% * 76.1631% (0.65 10.00   2.66   9.36) =  96.008%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.49 +/- 0.09  11.684% * 23.2995% (0.20 10.00   4.42  19.37) =   3.990%  kept
          HB3   LEU   80 - QD    PHE   45   7.17 +/- 2.06   1.669% *  0.0442% (0.38  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD    PHE   45   8.54 +/- 1.52   0.542% *  0.1136% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   45  12.03 +/- 0.93   0.039% *  0.0619% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    PHE   45  11.36 +/- 0.90   0.045% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD    PHE   45  14.56 +/- 1.51   0.010% *  0.0714% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  16.95 +/- 0.77   0.004% *  0.1021% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  20.21 +/- 0.33   0.001% *  0.1114% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.783, support = 0.75, residual support = 26.4:
          QG2   THR   94 - QD    PHE   45   3.62 +/- 0.77  90.962% * 67.1270% (0.80   0.75  27.21) =  96.379%  kept
          HG12  ILE   89 - QD    PHE   45   6.32 +/- 1.86   8.851% * 25.8744% (0.31   0.75   5.27) =   3.615%  kept
          HB3   LEU   71 - QD    PHE   45  12.88 +/- 0.84   0.119% *  2.2157% (0.99   0.02   0.02) =   0.004%
          HD2   LYS+ 112 - QD    PHE   45  16.06 +/- 1.83   0.019% *  2.2355% (1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD    PHE   45  14.51 +/- 1.61   0.033% *  0.8390% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD    PHE   45  16.13 +/- 1.45   0.016% *  1.7084% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.31, residual support = 18.1:
        T QG1   VAL   75 - QE    PHE   45   2.90 +/- 0.38  99.957% * 99.9191% (0.90 10.00   2.31  18.09) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  12.01 +/- 1.65   0.043% *  0.0809% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 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 = 0.586, support = 0.501, residual support = 4.82:
          HB    ILE   89 - QE    PHE   45   6.12 +/- 2.00  19.367% * 92.5252% (0.61   0.55   5.27) =  91.407%  kept
          HB    VAL   43 - QE    PHE   45   3.57 +/- 1.03  79.910% *  2.0953% (0.38   0.02   0.02) =   8.541%  kept
          QD    LYS+  81 - QE    PHE   45  10.12 +/- 1.65   0.429% *  1.7231% (0.31   0.02   0.02) =   0.038%
          QG1   ILE   56 - QE    PHE   45  10.36 +/- 0.91   0.239% *  0.8614% (0.15   0.02   0.02) =   0.011%
          HB2   LYS+  99 - QE    PHE   45  14.20 +/- 0.80   0.030% *  1.5522% (0.28   0.02   0.02) =   0.002%
          HB3   LYS+  99 - QE    PHE   45  14.55 +/- 1.19   0.026% *  1.2429% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.95 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 = 9.29:
          HB3   MET   96 - QE    PHE   45   4.31 +/- 1.31  98.867% * 93.6215% (0.45   2.00   9.29) =  99.982%  kept
          HB    VAL   18 - QE    PHE   45  12.32 +/- 0.73   0.457% *  1.4345% (0.69   0.02   0.02) =   0.007%
          HB3   ARG+  54 - QE    PHE   45  15.32 +/- 1.76   0.285% *  1.9278% (0.92   0.02   0.02) =   0.006%
          HB2   LEU   40 - QE    PHE   45  13.95 +/- 0.46   0.205% *  1.7444% (0.84   0.02   0.02) =   0.004%
          HB2   LEU   67 - QE    PHE   45  15.00 +/- 0.99   0.146% *  0.8586% (0.41   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QE    PHE   45  19.87 +/- 1.34   0.040% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.01 A violated in 1 structures by 0.28 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.227, support = 1.9, residual support = 9.19:
        T HB2   MET   96 - QE    PHE   45   4.83 +/- 1.51  83.999% * 80.4655% (0.22 10.00   1.91   9.29) =  98.854%  kept
          HB3   ASP-  76 - QE    PHE   45   9.10 +/- 0.62   4.197% * 15.8578% (0.73  1.00   1.16   0.27) =   0.973%  kept
          QG    GLN   90 - QE    PHE   45   9.22 +/- 1.48   6.485% *  1.4680% (0.22  1.00   0.35   0.02) =   0.139%
        T HB3   PHE   72 - QE    PHE   45  10.65 +/- 0.53   1.531% *  0.6618% (0.18 10.00   0.02   0.02) =   0.015%
          HG3   MET   92 - QE    PHE   45  10.94 +/- 1.45   2.248% *  0.3647% (0.97  1.00   0.02   0.02) =   0.012%
          HB2   GLU-  29 - QE    PHE   45  12.74 +/- 0.73   0.653% *  0.3389% (0.90  1.00   0.02   0.02) =   0.003%
          HB2   ASP- 105 - QE    PHE   45  12.52 +/- 0.96   0.485% *  0.3488% (0.92  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - QE    PHE   45  13.87 +/- 1.33   0.234% *  0.1988% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QE    PHE   45  16.95 +/- 1.09   0.086% *  0.2445% (0.65  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  17.94 +/- 1.44   0.082% *  0.0511% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.27 A violated in 2 structures by 0.40 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.8:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  92.200% * 99.8696% (0.53  10.0 10.00   1.00  80.77) =  99.989%  kept
          HZ3   TRP   27 - QE    PHE   45   4.67 +/- 1.74   7.800% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.011%
    Distance limit 3.99 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 = 3.6, residual support = 80.8:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.997% * 99.6976% (0.65  10.0   3.60  80.77) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  13.79 +/- 1.52   0.002% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  19.13 +/- 1.64   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  18.74 +/- 1.11   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 9.29:
          HB3   MET   96 - QD    PHE   45   5.40 +/- 0.88  95.697% * 96.5079% (0.80   2.00   9.29) =  99.972%  kept
          HB3   ARG+  54 - QD    PHE   45  13.17 +/- 1.74   2.091% *  0.7310% (0.61   0.02   0.02) =   0.017%
          HB    VAL   18 - QD    PHE   45  11.47 +/- 0.66   1.458% *  0.4111% (0.34   0.02   0.02) =   0.006%
          HB2   LEU   40 - QD    PHE   45  14.75 +/- 0.27   0.321% *  1.2053% (1.00   0.02   0.02) =   0.004%
          HB2   LEU   67 - QD    PHE   45  14.70 +/- 0.99   0.363% *  0.1860% (0.15   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QD    PHE   45  20.04 +/- 1.37   0.061% *  0.5867% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - QD    PHE   45  28.72 +/- 2.95   0.009% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.22 A violated in 4 structures by 0.48 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 1.89, residual support = 8.29:
          HB2   MET   96 - QD    PHE   45   6.08 +/- 1.19  69.025% * 63.6371% (0.87   2.00   9.29) =  88.843%  kept
          HB3   ASP-  76 - QD    PHE   45   8.04 +/- 0.63  16.163% * 33.8807% (0.92   1.00   0.27) =  11.075%  kept
          HG3   MET   92 - QD    PHE   45   9.20 +/- 1.31  11.445% *  0.2502% (0.34   0.02   0.02) =   0.058%
          HB2   ASP- 105 - QD    PHE   45  12.59 +/- 0.68   1.096% *  0.5327% (0.73   0.02   0.02) =   0.012%
          HB    VAL   70 - QD    PHE   45  13.95 +/- 0.55   0.546% *  0.3289% (0.45   0.02   0.02) =   0.004%
          QG    GLN   17 - QD    PHE   45  14.86 +/- 0.79   0.453% *  0.2753% (0.38   0.02   0.02) =   0.003%
          HB2   GLU-  25 - QD    PHE   45  13.73 +/- 1.00   0.611% *  0.2040% (0.28   0.02   0.02) =   0.003%
          HB2   GLU-  29 - QD    PHE   45  14.13 +/- 0.51   0.558% *  0.1829% (0.25   0.02   0.02) =   0.002%
          HG2   GLU- 100 - QD    PHE   45  18.41 +/- 0.97   0.103% *  0.7080% (0.97   0.02   0.02) =   0.001%
    Distance limit 5.48 A violated in 6 structures by 0.58 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.04, residual support = 80.8:
      O T HB3   PHE   45 - QD    PHE   45   2.39 +/- 0.15  99.881% * 99.5701% (0.80  10.0 10.00   5.04  80.77) = 100.000%  kept
          HB3   ASP-  86 - QD    PHE   45   8.81 +/- 2.01   0.069% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QD    PHE   45   9.07 +/- 0.98   0.041% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  13.77 +/- 1.83   0.004% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  15.34 +/- 0.57   0.002% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  14.20 +/- 0.91   0.003% *  0.0557% (0.45   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 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.32, residual support = 80.8:
      O T HB2   PHE   45 - QD    PHE   45   2.64 +/- 0.11  99.828% * 99.8423% (0.97  10.0 10.00   4.32  80.77) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   8.36 +/- 1.13   0.167% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  14.10 +/- 0.75   0.005% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.2:
          HB    THR   94 - QD    PHE   45   3.37 +/- 0.74  98.561% * 93.8952% (0.69   2.96  27.21) =  99.992%  kept
          QB    SER   85 - QD    PHE   45   9.50 +/- 1.66   0.384% *  0.8745% (0.95   0.02   0.02) =   0.004%
          QB    SER   48 - QD    PHE   45  10.13 +/- 0.64   0.298% *  0.7403% (0.80   0.02   0.02) =   0.002%
          HA    ALA   88 - QD    PHE   45   9.22 +/- 1.69   0.524% *  0.1426% (0.15   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    PHE   45  11.31 +/- 1.28   0.110% *  0.2853% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   45  13.66 +/- 1.12   0.035% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  16.44 +/- 0.69   0.014% *  0.8291% (0.90   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  14.05 +/- 0.89   0.030% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  18.08 +/- 1.04   0.008% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  18.33 +/- 0.78   0.008% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  17.59 +/- 1.13   0.009% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  15.67 +/- 0.97   0.020% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 19.3:
          HA    ASP-  44 - QD    PHE   45   3.02 +/- 0.57  93.222% * 81.7716% (0.34   4.35  19.37) =  99.084%  kept
          HB    THR   77 - QD    PHE   45   5.41 +/- 0.77   5.407% * 12.9594% (0.28   0.85   9.36) =   0.911%  kept
          HA    TRP   87 - QD    PHE   45   8.60 +/- 2.17   0.995% *  0.1699% (0.15   0.02   0.02) =   0.002%
          HA    ASP-  86 - QD    PHE   45  10.20 +/- 2.06   0.141% *  1.0796% (0.98   0.02   0.02) =   0.002%
          HA    SER   85 - QD    PHE   45   9.50 +/- 1.69   0.192% *  0.3062% (0.28   0.02   0.02) =   0.001%
          HA    LEU  104 - QD    PHE   45  14.90 +/- 0.73   0.009% *  0.9200% (0.84   0.02   0.02) =   0.000%
          HA    ILE  103 - QD    PHE   45  12.16 +/- 0.83   0.031% *  0.2180% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  20.62 +/- 1.19   0.001% *  1.0990% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  25.74 +/- 2.45   0.001% *  1.0629% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  28.23 +/- 2.83   0.000% *  0.4134% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.04, residual support = 80.8:
          HA    PHE   45 - QD    PHE   45   2.81 +/- 0.50  99.669% * 96.8376% (0.25   5.04  80.77) =  99.998%  kept
          HA    MET   92 - QD    PHE   45   7.85 +/- 0.75   0.285% *  0.3846% (0.25   0.02   0.02) =   0.001%
          HA    VAL   41 - QD    PHE   45  10.92 +/- 0.22   0.041% *  1.2352% (0.80   0.02   0.02) =   0.001%
          HA    HIS  122 - QD    PHE   45  16.73 +/- 1.40   0.004% *  1.5426% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.23 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 = 73.9:
          HN    PHE   45 - QD    PHE   45   2.34 +/- 0.56  85.689% * 56.5844% (0.45   5.73  80.77) =  88.786%  kept
          HN    ASP-  44 - QD    PHE   45   3.84 +/- 0.47  14.276% * 42.8983% (0.45   4.34  19.37) =  11.214%  kept
          HN    ALA  110 - QD    PHE   45  10.31 +/- 1.83   0.026% *  0.3028% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  11.76 +/- 1.09   0.009% *  0.2146% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.19 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 = 80.8:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.996% * 99.7606% (0.98  10.0   1.00  80.77) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  12.01 +/- 0.66   0.004% *  0.1766% (0.87   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  20.55 +/- 1.66   0.000% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.476, support = 4.71, residual support = 72.7:
          HN    TRP   49 - HD1   TRP   49   2.68 +/- 0.59  90.747% * 33.6869% (0.38   4.91  86.70) =  83.382%  kept
          HN    CYS   50 - HD1   TRP   49   4.80 +/- 1.40   9.218% * 66.0916% (0.98   3.69   2.56) =  16.617%  kept
          HN    VAL   83 - HD1   TRP   49  13.94 +/- 2.22   0.035% *  0.2215% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.27, residual support = 86.7:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.27  86.70) = 100.000%  kept
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (7.16, 7.49, 115.54 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 1.0, residual support = 86.7:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 99.8040% (0.41  10.0   1.00  86.70) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  19.65 +/- 1.01   0.000% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  23.42 +/- 2.83   0.000% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 86.7:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  86.70) = 100.000%  kept
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (7.49, 7.18, 125.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 86.7:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 99.8708% (1.00  10.0   1.00  86.70) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  26.08 +/- 2.02   0.000% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.961, support = 1.4, residual support = 5.11:
          QG2   VAL   83 - HZ    PHE   45   4.77 +/- 3.01  69.636% * 56.2364% (0.99   1.42   5.08) =  81.254%  kept
          QD1   ILE   89 - HZ    PHE   45   6.65 +/- 2.09  20.809% * 43.1259% (0.84   1.30   5.27) =  18.620%  kept
          QD2   LEU   31 - HZ    PHE   45   7.22 +/- 0.83   9.556% *  0.6377% (0.80   0.02   0.02) =   0.126%
    Distance limit 5.07 A violated in 1 structures by 0.43 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.62, residual support = 86.7:
      O T HB2   TRP   49 - HD1   TRP   49   2.86 +/- 0.27  99.742% * 99.5547% (0.65  10.0 10.00   4.62  86.70) = 100.000%  kept
          HA    ALA   84 - HD1   TRP   49  11.69 +/- 2.12   0.231% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD1   TRP   49  13.17 +/- 1.29   0.015% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD1   TRP   49  16.69 +/- 2.64   0.006% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  16.50 +/- 1.74   0.005% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  24.61 +/- 1.49   0.000% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  25.36 +/- 1.92   0.000% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.62, residual support = 86.7:
      O T HB3   TRP   49 - HD1   TRP   49   3.83 +/- 0.07  99.991% * 99.9191% (0.90  10.0 10.00   4.62  86.70) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  18.40 +/- 1.53   0.009% *  0.0809% (0.73   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 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.52, residual support = 14.7:
          QB    ALA   47 - HD1   TRP   49   3.49 +/- 1.02  99.969% * 98.5465% (0.84   2.52  14.71) = 100.000%  kept
          QG1   VAL   42 - HD1   TRP   49  17.16 +/- 1.26   0.012% *  0.6810% (0.73   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  17.75 +/- 1.04   0.011% *  0.4205% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  20.03 +/- 1.95   0.008% *  0.3520% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.543, support = 0.73, residual support = 1.12:
          HB3   GLN   90 - HZ2   TRP   49   4.81 +/- 1.68  81.706% * 28.1553% (0.45  1.00   0.75   1.06) =  77.240%  kept
          HB3   PRO   52 - HZ2   TRP   49  10.04 +/- 2.82  13.969% * 48.2755% (0.87  1.00   0.66   1.33) =  22.642%  kept
          QB    LYS+  81 - HZ2   TRP   49   9.52 +/- 2.23   2.819% *  0.6285% (0.38  1.00   0.02   0.02) =   0.059%
          HG2   ARG+  54 - HZ2   TRP   49  11.81 +/- 2.15   1.435% *  1.1503% (0.69  1.00   0.02   0.02) =   0.055%
          QB    LYS+ 106 - HZ2   TRP   49  17.16 +/- 1.02   0.038% *  0.5712% (0.34  1.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HZ2   TRP   49  29.23 +/- 1.71   0.001% * 14.5266% (0.87 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HZ2   TRP   49  23.38 +/- 1.70   0.006% *  1.0157% (0.61  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   49  24.63 +/- 1.75   0.005% *  1.2161% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   49  23.86 +/- 1.34   0.005% *  1.0834% (0.65  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  23.96 +/- 1.28   0.005% *  0.7508% (0.45  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  25.77 +/- 1.75   0.003% *  0.8811% (0.53  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  24.18 +/- 1.38   0.005% *  0.4656% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  31.16 +/- 2.10   0.001% *  1.2798% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.03, residual support = 14.7:
          QB    ALA   47 - HZ2   TRP   49   4.13 +/- 0.76  99.931% * 98.0051% (0.69   2.03  14.71) = 100.000%  kept
          QG1   VAL   42 - HZ2   TRP   49  17.10 +/- 0.94   0.026% *  0.7942% (0.57   0.02   0.02) =   0.000%
          QB    ALA   64 - HZ2   TRP   49  18.77 +/- 1.03   0.015% *  0.8509% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HZ2   TRP   49  19.19 +/- 2.61   0.028% *  0.3498% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.406, support = 0.584, residual support = 1.17:
          HG2   PRO   52 - HH2   TRP   49   7.05 +/- 2.08  34.822% * 70.5785% (0.34   0.66   1.33) =  87.495%  kept
          HG2   MET   92 - HH2   TRP   49   5.84 +/- 0.91  64.684% *  5.4009% (0.87   0.02   0.02) =  12.437%  kept
          HB2   GLU-  79 - HH2   TRP   49  14.83 +/- 2.20   0.257% *  4.5213% (0.73   0.02   0.02) =   0.041%
          QG    GLU- 114 - HH2   TRP   49  16.25 +/- 1.76   0.122% *  4.9857% (0.80   0.02   0.02) =   0.022%
          HB2   ASP-  44 - HH2   TRP   49  16.74 +/- 1.59   0.098% *  1.0904% (0.18   0.02   0.02) =   0.004%
          HG3   GLU-  25 - HH2   TRP   49  26.02 +/- 1.62   0.006% *  1.2322% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - HH2   TRP   49  27.85 +/- 1.55   0.004% *  1.5526% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  35.33 +/- 2.16   0.001% *  5.4009% (0.87   0.02   0.02) =   0.000%
          QG    GLU-  14 - HH2   TRP   49  28.85 +/- 2.22   0.003% *  0.9607% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HH2   TRP   49  37.42 +/- 3.12   0.001% *  4.2769% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.18 A violated in 0 structures by 0.06 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.637, support = 1.14, residual support = 1.18:
          HB3   GLN   90 - HH2   TRP   49   5.28 +/- 2.21  82.225% * 18.0596% (0.45   0.75   1.06) =  55.032%  kept
          HB3   PRO   52 - HH2   TRP   49   9.00 +/- 2.23  16.121% * 75.2084% (0.87   1.61   1.33) =  44.934%  kept
          HG2   ARG+  54 - HH2   TRP   49  11.65 +/- 2.03   0.685% *  0.7379% (0.69   0.02   0.02) =   0.019%
          QB    LYS+  81 - HH2   TRP   49  11.11 +/- 2.30   0.878% *  0.4032% (0.38   0.02   0.02) =   0.013%
          QB    LYS+ 106 - HH2   TRP   49  17.09 +/- 1.26   0.054% *  0.3664% (0.34   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HH2   TRP   49  23.75 +/- 1.49   0.007% *  0.6949% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  23.79 +/- 1.83   0.007% *  0.6515% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  24.87 +/- 1.85   0.005% *  0.7800% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  24.72 +/- 1.63   0.005% *  0.4816% (0.45   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  28.88 +/- 1.63   0.002% *  0.9318% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  26.89 +/- 1.80   0.003% *  0.5652% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  24.26 +/- 1.27   0.006% *  0.2987% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  31.47 +/- 2.26   0.001% *  0.8209% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.25, residual support = 20.2:
      O   QB    PHE   55 - QD    PHE   55   2.15 +/- 0.03  99.695% * 99.2903% (0.25  10.0   2.25  20.22) =  99.999%  kept
          HD2   ARG+  54 - QD    PHE   55   6.74 +/- 0.94   0.162% *  0.2415% (0.61   1.0   0.02   3.62) =   0.000%
          HD3   PRO   93 - QD    PHE   55   8.02 +/- 1.42   0.102% *  0.1358% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   55   8.01 +/- 0.44   0.040% *  0.2095% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  18.85 +/- 1.95   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.84, support = 1.98, residual support = 19.7:
          HA    PHE   55 - QD    PHE   55   2.73 +/- 0.34  96.721% * 53.7459% (0.84   1.99  20.22) =  97.266%  kept
          HA    ALA  110 - QD    PHE   55   7.09 +/- 3.70   3.239% * 45.1049% (1.00   1.40   0.20) =   2.733%  kept
          HA    VAL  107 - QD    PHE   55  11.72 +/- 1.36   0.025% *  0.2205% (0.34   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  15.63 +/- 1.84   0.003% *  0.6237% (0.97   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  13.10 +/- 1.50   0.010% *  0.1439% (0.22   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  17.05 +/- 1.23   0.002% *  0.1612% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 124 (1.43, 7.32, 132.31 ppm):
    14 chemical-shift based assignments, quality = 0.597, support = 1.24, residual support = 2.19:
          QB    ALA  110 - QD    PHE   55   5.63 +/- 3.46  67.532% * 22.3587% (0.80  1.00   0.40   0.20) =  57.934%  kept
          HB3   LEU  115 - QD    PHE   55   6.97 +/- 1.49  20.399% * 52.8612% (0.31  1.00   2.45   5.02) =  41.373%  kept
          QB    ALA   61 - QD    PHE   55   9.26 +/- 1.96  11.529% *  1.3518% (0.97  1.00   0.02   0.02) =   0.598%  kept
        T QG    LYS+  66 - QD    PHE   55  13.50 +/- 1.60   0.166% * 13.2506% (0.95 10.00   0.02   0.02) =   0.084%
        T HG    LEU   67 - QD    PHE   55  17.94 +/- 1.70   0.035% *  3.1186% (0.22 10.00   0.02   0.02) =   0.004%
          HB3   LEU   67 - QD    PHE   55  18.51 +/- 1.48   0.026% *  1.4008% (1.00  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD    PHE   55  16.46 +/- 1.98   0.105% *  0.2772% (0.20  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD    PHE   55  15.79 +/- 2.09   0.111% *  0.2453% (0.18  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   55  19.04 +/- 1.65   0.022% *  1.1216% (0.80  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD    PHE   55  20.64 +/- 2.38   0.017% *  1.0172% (0.73  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QD    PHE   55  20.55 +/- 1.77   0.013% *  1.1700% (0.84  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    PHE   55  19.76 +/- 1.17   0.020% *  0.4323% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   55  19.61 +/- 1.57   0.019% *  0.4323% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   55  26.01 +/- 1.80   0.005% *  0.9622% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 2 structures by 0.26 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.865, support = 1.9, residual support = 5.0:
          QD2   LEU  115 - QD    PHE   55   6.53 +/- 1.31  81.842% * 87.6351% (0.87  1.00   1.91   5.02) =  99.723%  kept
          QD1   LEU   63 - QD    PHE   55   9.70 +/- 0.77  11.672% *  1.0564% (1.00  1.00   0.02   0.02) =   0.171%
        T QD2   LEU   80 - QD    PHE   55  17.10 +/- 1.38   0.459% *  8.8434% (0.84 10.00   0.02   0.02) =   0.056%
          QD2   LEU   63 - QD    PHE   55  11.27 +/- 1.08   4.959% *  0.5570% (0.53  1.00   0.02   0.02) =   0.038%
          QD1   LEU   73 - QD    PHE   55  16.86 +/- 1.29   0.496% *  1.0564% (1.00  1.00   0.02   0.02) =   0.007%
          QD1   LEU  104 - QD    PHE   55  18.07 +/- 0.98   0.245% *  0.6422% (0.61  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD    PHE   55  17.84 +/- 1.71   0.327% *  0.2095% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.79 A violated in 14 structures by 1.82 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   5.03 +/- 1.69  99.760% * 72.5341% (0.99   0.02   0.02) =  99.909%  kept
          HB3   TRP   49 - QE    PHE   95  15.14 +/- 2.50   0.240% * 27.4659% (0.38   0.02   0.02) =   0.091%
    Distance limit 4.73 A violated in 6 structures by 0.83 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 = 0.321, support = 2.48, residual support = 39.2:
          HB    VAL  107 - QE    PHE   95   4.61 +/- 0.82  72.894% * 34.5899% (0.28  1.00   2.86  45.55) =  85.658%  kept
        T HB3   ASP-  62 - QE    PHE   95   7.74 +/- 1.15   7.447% * 38.1964% (0.57 10.00   0.16   0.02) =   9.664%  kept
        T QE    LYS+ 112 - QE    PHE   95   8.13 +/- 2.36  10.521% *  5.9787% (0.69 10.00   0.02   0.02) =   2.137%  kept
          HB3   PHE   45 - QE    PHE   95   7.75 +/- 1.61   7.080% *  7.0455% (0.69  1.00   0.24   1.89) =   1.695%  kept
          HG3   MET   96 - QE    PHE   95   9.29 +/- 1.32   1.989% * 12.4978% (0.20  1.00   1.45  11.99) =   0.844%  kept
          HB3   ASP-  86 - QE    PHE   95  16.23 +/- 1.73   0.054% *  0.8233% (0.95  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - QE    PHE   95  19.92 +/- 1.20   0.015% *  0.8684% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 5.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.573, support = 0.593, residual support = 0.722:
          QG1   ILE   56 - QE    PHE   95   3.67 +/- 1.88  79.681% * 36.4773% (0.53   0.61   0.81) =  88.864%  kept
          QD    LYS+ 106 - QE    PHE   95   8.72 +/- 1.07   6.596% * 52.5697% (1.00   0.46   0.02) =  10.602%  kept
          HG3   PRO   93 - QE    PHE   95   6.52 +/- 2.54   6.671% *  0.8509% (0.38   0.02   0.02) =   0.174%
          HB2   LEU   73 - QE    PHE   95  10.17 +/- 1.26   2.511% *  2.0930% (0.92   0.02   0.02) =   0.161%
          QD    LYS+  99 - QE    PHE   95  13.62 +/- 2.17   1.096% *  2.2673% (1.00   0.02   0.02) =   0.076%
          HB3   MET   92 - QE    PHE   95   8.60 +/- 2.19   0.875% *  1.8155% (0.80   0.02   0.02) =   0.049%
          HB3   LYS+  99 - QE    PHE   95  14.13 +/- 2.62   1.427% *  0.9321% (0.41   0.02   0.02) =   0.041%
          HB2   LEU  123 - QE    PHE   95  12.66 +/- 1.90   0.729% *  0.9321% (0.41   0.02   0.02) =   0.021%
          HD2   LYS+ 111 - QE    PHE   95  11.18 +/- 1.59   0.226% *  1.5574% (0.69   0.02   0.02) =   0.011%
          QD    LYS+ 102 - QE    PHE   95  15.89 +/- 1.88   0.186% *  0.5048% (0.22   0.02   0.02) =   0.003%
    Distance limit 5.14 A violated in 2 structures by 0.20 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.677, support = 2.59, residual support = 44.7:
          QG2   VAL  107 - QE    PHE   95   3.74 +/- 1.06  89.070% * 73.2066% (0.69  1.00   2.61  45.55) =  97.210%  kept
          QG2   THR   94 - QE    PHE   95   6.11 +/- 0.47   7.701% * 24.0489% (0.34  1.00   1.73  14.54) =   2.761%  kept
          HG13  ILE  103 - QE    PHE   95  11.26 +/- 1.76   1.208% *  0.8139% (1.00  1.00   0.02   0.02) =   0.015%
          HG2   LYS+ 121 - QE    PHE   95  11.78 +/- 2.29   1.196% *  0.3657% (0.45  1.00   0.02   0.02) =   0.007%
        T QB    ALA   20 - QE    PHE   95  11.46 +/- 0.95   0.257% *  1.2587% (0.15 10.00   0.02   0.02) =   0.005%
          HB3   LYS+ 112 - QE    PHE   95   9.74 +/- 1.90   0.568% *  0.3062% (0.38  1.00   0.02   0.02) =   0.003%
    Distance limit 5.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.901, support = 2.4, residual support = 5.05:
          QD2   LEU  115 - QE    PHE   95   4.79 +/- 1.83  37.007% * 68.0863% (0.87  1.00   3.13   6.26) =  68.540%  kept
          QD1   LEU   63 - QE    PHE   95   3.81 +/- 1.12  54.186% * 20.3499% (1.00  1.00   0.81   2.40) =  29.995%  kept
          QD2   LEU   63 - QE    PHE   95   5.70 +/- 1.50   8.240% *  6.4695% (0.53  1.00   0.49   2.40) =   1.450%  kept
        T QD2   LEU   80 - QE    PHE   95  11.96 +/- 1.30   0.092% *  4.1902% (0.84 10.00   0.02   0.02) =   0.010%
          QD1   LEU   73 - QE    PHE   95   9.49 +/- 1.04   0.221% *  0.5005% (1.00  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - QE    PHE   95  11.07 +/- 2.07   0.191% *  0.3043% (0.61  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QE    PHE   95  12.69 +/- 1.92   0.063% *  0.0993% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.343, support = 1.49, residual support = 6.22:
        T QD1   LEU  115 - QE    PHE   95   4.81 +/- 1.92  68.539% * 98.2388% (0.34 10.00   1.50   6.26) =  99.317%  kept
          QB    ALA   64 - QE    PHE   95   6.94 +/- 1.26  27.286% *  1.6852% (0.57  1.00   0.16   0.02) =   0.678%  kept
          QG1   VAL   75 - QE    PHE   95   8.46 +/- 0.82   4.175% *  0.0760% (0.20  1.00   0.02   0.02) =   0.005%
    Distance limit 4.77 A violated in 2 structures by 0.37 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.12, residual support = 71.5:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  99.080% * 99.6230% (0.84  10.0   1.12  71.50) = 100.000%  kept
          HN    LEU   63 - QD    PHE   60   5.00 +/- 0.43   0.917% *  0.0327% (0.15   1.0   0.02  11.61) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  14.88 +/- 2.51   0.002% *  0.1902% (0.90   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   60  14.88 +/- 1.09   0.001% *  0.1540% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 3.81, residual support = 71.5:
      O T HB3   PHE   60 - QD    PHE   60   2.61 +/- 0.17  99.773% * 99.7227% (0.73  10.0 10.00   3.81  71.50) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   7.97 +/- 0.95   0.168% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.46 +/- 1.06   0.010% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  10.56 +/- 1.10   0.030% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  11.60 +/- 1.28   0.017% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  18.36 +/- 1.28   0.001% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  16.79 +/- 1.67   0.002% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.88, support = 0.95, residual support = 2.02:
          QD2   LEU   73 - QD    PHE   60   6.91 +/- 0.97  33.011% * 77.9418% (0.84  1.00   1.26   1.90) =  69.805%  kept
          QD1   ILE   56 - QD    PHE   60   5.87 +/- 1.46  63.453% * 17.4249% (0.99  1.00   0.24   2.31) =  29.997%  kept
        T QG1   VAL   41 - QD    PHE   60  10.90 +/- 0.78   2.345% *  2.5965% (0.18 10.00   0.02   0.02) =   0.165%
          HG    LEU   31 - QD    PHE   60  13.13 +/- 0.82   0.723% *  1.0184% (0.69  1.00   0.02   0.02) =   0.020%
          HG3   LYS+ 121 - QD    PHE   60  14.24 +/- 1.22   0.467% *  1.0184% (0.69  1.00   0.02   0.02) =   0.013%
    Distance limit 4.32 A violated in 13 structures by 1.18 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.76, residual support = 2.55:
          QB    ALA   64 - QD    PHE   60   3.76 +/- 0.72 100.000% *100.0000% (0.95   1.76   2.55) = 100.000%  kept
    Distance limit 4.24 A violated in 1 structures by 0.09 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.1, residual support = 62.7:
          HN    PHE   97 - QD    PHE   97   2.84 +/- 0.68  99.832% * 99.3285% (0.97   4.10  62.66) =  99.999%  kept
          HN    LEU  115 - QD    PHE   97  10.37 +/- 1.66   0.147% *  0.4843% (0.97   0.02   0.02) =   0.001%
          HN    ASP- 113 - QD    PHE   97  13.73 +/- 1.44   0.020% *  0.0993% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  24.67 +/- 2.58   0.001% *  0.0879% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.02 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 = 0.675, support = 0.853, residual support = 1.17:
          HA    THR  118 - QD    PHE   97   6.47 +/- 0.90  54.331% * 47.7942% (0.61   0.93   1.64) =  56.135%  kept
          HA    ILE  119 - QD    PHE   97   7.04 +/- 1.86  41.920% * 48.3484% (0.76   0.75   0.56) =  43.813%  kept
          HA2   GLY  109 - QD    PHE   97  12.37 +/- 0.56   1.641% *  0.5207% (0.31   0.02   0.02) =   0.018%
          HA    VAL   75 - QD    PHE   97  13.58 +/- 0.62   0.838% *  0.8876% (0.53   0.02   0.02) =   0.016%
          HA    ALA   84 - QD    PHE   97  15.97 +/- 1.89   0.515% *  0.8212% (0.49   0.02   0.02) =   0.009%
          HD3   PRO   58 - QD    PHE   97  13.56 +/- 1.41   0.708% *  0.4691% (0.28   0.02   0.02) =   0.007%
          HB2   TRP   49 - QD    PHE   97  21.87 +/- 0.83   0.046% *  1.1588% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.61 A violated in 11 structures by 1.23 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 +/- 0.11  95.565% * 99.6874% (0.90  10.0 10.00   2.44  62.66) =  99.996%  kept
          QE    LYS+ 106 - QD    PHE   97   6.14 +/- 1.40   3.667% *  0.1051% (0.95   1.0  1.00   0.02  11.47) =   0.004%
          QE    LYS+  99 - QD    PHE   97   6.35 +/- 1.27   0.709% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    PHE   97   9.70 +/- 1.91   0.055% *  0.0890% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  13.66 +/- 1.29   0.004% *  0.0964% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.99 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   2.42 +/- 0.12  99.977% * 99.7112% (1.00  10.0 10.00   2.74  62.66) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  11.21 +/- 0.78   0.011% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  12.05 +/- 1.43   0.008% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  14.18 +/- 1.86   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  17.40 +/- 1.10   0.001% *  0.0308% (0.31   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 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.828, support = 1.73, residual support = 5.6:
          QG1   VAL  107 - QD    PHE   97   4.83 +/- 0.94  93.370% * 73.7929% (0.84   1.74   5.68) =  98.361%  kept
          HG13  ILE  119 - QD    PHE   97   8.61 +/- 2.04   4.787% * 23.7369% (0.41   1.14   0.56) =   1.622%  kept
          HB3   LEU   31 - QD    PHE   97  11.35 +/- 0.88   1.280% *  0.4560% (0.45   0.02   0.02) =   0.008%
          QG1   VAL   24 - QD    PHE   97  14.34 +/- 2.26   0.390% *  1.0171% (1.00   0.02   0.02) =   0.006%
          HD3   LYS+ 112 - QD    PHE   97  14.65 +/- 2.15   0.172% *  0.9970% (0.98   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 5 structures by 0.61 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.71, support = 3.04, residual support = 15.3:
          HB2   LEU  104 - QD    PHE   97   4.50 +/- 0.72  73.123% * 60.8289% (0.69   3.30  17.27) =  88.263%  kept
          QD1   ILE  119 - QD    PHE   97   7.13 +/- 2.23  17.297% * 28.8335% (0.95   1.14   0.56) =   9.897%  kept
          QG2   VAL  108 - QD    PHE   97   6.71 +/- 0.56   9.253% * 10.0119% (0.53   0.71   0.02) =   1.838%  kept
          HB    VAL   75 - QD    PHE   97  11.53 +/- 0.75   0.326% *  0.3257% (0.61   0.02   0.02) =   0.002%
    Distance limit 4.51 A violated in 0 structures by 0.15 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.199, support = 1.27, residual support = 1.62:
          QG2   THR  118 - QD    PHE   97   3.75 +/- 1.39  70.542% * 97.3820% (0.20   1.28   1.64) =  98.890%  kept
          QG2   VAL   70 - QD    PHE   97   4.42 +/- 1.67  29.458% *  2.6180% (0.34   0.02   0.02) =   1.110%  kept
    Distance limit 4.66 A violated in 0 structures by 0.06 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.989, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.66 +/- 1.77  92.700% * 85.0969% (1.00   0.02   0.02) =  98.640%  kept
          QB    ALA   47 - QD    PHE   97  14.12 +/- 0.47   7.300% * 14.9031% (0.18   0.02   0.02) =   1.360%  kept
    Distance limit 5.03 A violated in 19 structures by 3.49 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 = 30.1:
          HN    LEU  115 - QD    PHE   59   5.39 +/- 0.86  89.221% * 99.0824% (0.97   2.99  30.07) =  99.968%  kept
          HN    PHE   97 - QD    PHE   59  10.19 +/- 1.27   2.631% *  0.6618% (0.97   0.02   0.02) =   0.020%
          HN    ASP- 113 - QD    PHE   59   8.24 +/- 0.97   8.138% *  0.1357% (0.20   0.02   0.02) =   0.012%
          HN    ALA   12 - QD    PHE   59  26.18 +/- 1.14   0.010% *  0.1201% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.23 A violated in 4 structures by 0.43 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 2.93, residual support = 57.2:
          HA    PHE   59 - QD    PHE   59   3.04 +/- 0.45  87.002% * 77.9421% (0.61   3.01  58.51) =  96.516%  kept
          HA    ILE   56 - QD    PHE   59   4.94 +/- 1.30  12.586% * 19.4223% (0.61   0.75  20.23) =   3.479%  kept
          HA    ASP- 113 - QD    PHE   59   8.11 +/- 0.68   0.354% *  0.8520% (1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - QD    PHE   59  10.82 +/- 0.86   0.046% *  0.4156% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  15.19 +/- 1.46   0.009% *  0.6838% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  20.31 +/- 1.45   0.001% *  0.5524% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  18.09 +/- 1.99   0.003% *  0.1318% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (3.69, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 2.18, residual support = 18.2:
        T HA    ILE  119 - QD    PHE   59   5.29 +/- 1.17  82.791% * 57.7169% (1.00 10.00   2.25  19.08) =  89.790%  kept
        T HA    THR  118 - QD    PHE   59   7.35 +/- 1.25  12.894% * 42.1251% (0.95 10.00   1.54  10.48) =  10.207%  kept
          HA2   GLY  109 - QD    PHE   59  10.14 +/- 1.28   3.324% *  0.0397% (0.69  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - QD    PHE   59  16.43 +/- 1.27   0.172% *  0.0502% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD    PHE   59  16.88 +/- 0.98   0.138% *  0.0567% (0.98  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QD    PHE   59  13.09 +/- 0.79   0.681% *  0.0114% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.01 A violated in 6 structures by 0.53 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.71, residual support = 58.5:
      O   HB2   PHE   59 - QD    PHE   59   2.45 +/- 0.13  99.722% * 99.6982% (0.97  10.0   2.71  58.51) = 100.000%  kept
          QB    PHE   55 - QD    PHE   59   7.30 +/- 0.68   0.177% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59   9.48 +/- 0.89   0.035% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   59   9.45 +/- 1.56   0.041% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  11.46 +/- 1.28   0.016% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  12.14 +/- 1.19   0.008% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 58.5:
      O   HB3   PHE   59 - QD    PHE   59   2.44 +/- 0.14  99.999% * 99.9680% (0.97  10.0   3.14  58.51) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.45 +/- 1.12   0.001% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 153 (2.35, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 2.68, residual support = 27.3:
          HB2   PRO   58 - QD    PHE   59   6.25 +/- 0.65  47.040% * 67.5112% (0.99   2.94  40.17) =  67.412%  kept
          HB2   GLN  116 - QD    PHE   59   6.21 +/- 0.69  48.265% * 31.7717% (0.65   2.12   0.65) =  32.551%  kept
          HB3   PHE   97 - QD    PHE   59  10.11 +/- 1.52   4.627% *  0.3706% (0.80   0.02   0.02) =   0.036%
          HB2   GLU- 100 - QD    PHE   59  19.46 +/- 1.62   0.055% *  0.2435% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QD    PHE   59  24.16 +/- 1.16   0.013% *  0.1030% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 1 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 = 20.2:
        T QG1   ILE   56 - QD    PHE   59   2.96 +/- 0.78  99.683% * 99.7160% (0.97 10.00   1.97  20.23) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59  10.00 +/- 1.24   0.199% *  0.0357% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  15.25 +/- 1.31   0.016% *  0.1044% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  12.51 +/- 1.26   0.064% *  0.0207% (0.20  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  15.04 +/- 1.43   0.013% *  0.0838% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  14.31 +/- 1.26   0.025% *  0.0393% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 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 = 30.0:
          HB3   LEU  115 - QD    PHE   59   3.13 +/- 1.31  50.287% * 71.5730% (0.65   2.38  30.07) =  79.146%  kept
          HG    LEU  115 - QD    PHE   59   3.35 +/- 1.25  43.257% * 21.8408% (0.15   3.05  30.07) =  20.776%  kept
          QB    ALA   61 - QD    PHE   59   6.10 +/- 0.41   2.029% *  0.6383% (0.69   0.02   0.46) =   0.028%
          QG    LYS+  66 - QD    PHE   59   7.82 +/- 1.24   1.237% *  0.8968% (0.97   0.02   0.02) =   0.024%
          QB    ALA  110 - QD    PHE   59   7.24 +/- 1.63   1.977% *  0.4166% (0.45   0.02   0.02) =   0.018%
          QB    ALA  120 - QD    PHE   59   7.70 +/- 0.64   0.922% *  0.1434% (0.15   0.02   0.02) =   0.003%
          HG    LEU   67 - QD    PHE   59  10.56 +/- 1.77   0.117% *  0.4889% (0.53   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD    PHE   59  11.12 +/- 1.13   0.073% *  0.7762% (0.84   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    PHE   59  11.86 +/- 1.33   0.050% *  0.6011% (0.65   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   59  12.49 +/- 0.86   0.028% *  0.9272% (1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD    PHE   59  14.35 +/- 1.64   0.017% *  0.3487% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  19.09 +/- 1.70   0.003% *  0.8968% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  17.65 +/- 2.00   0.004% *  0.4523% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 156 (1.10, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.467, support = 2.61, residual support = 16.8:
        T HG13  ILE  119 - QD    PHE   59   3.21 +/- 0.62  75.447% * 65.2842% (0.41 10.00   2.93  19.08) =  86.777%  kept
        T QG1   VAL  107 - QD    PHE   59   4.27 +/- 0.81  21.851% * 34.3302% (0.84 10.00   0.52   2.15) =  13.216%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.33 +/- 2.00   2.691% *  0.1557% (0.98  1.00   0.02   0.02) =   0.007%
          QG1   VAL   24 - QD    PHE   59  16.51 +/- 1.82   0.007% *  0.1588% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  17.44 +/- 1.26   0.004% *  0.0712% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.893, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.69 +/- 0.77  68.928% * 60.0043% (0.98   0.02   0.02) =  86.078%  kept
          HG3   LYS+ 121 - QD    PHE   59  10.79 +/- 1.33  23.523% * 22.9752% (0.38   0.02   0.02) =  11.248%  kept
          HB3   LEU  104 - QD    PHE   59  13.00 +/- 1.50   7.549% * 17.0205% (0.28   0.02   0.02) =   2.674%  kept
    Distance limit 5.03 A violated in 20 structures by 3.09 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 4.6, residual support = 28.2:
          QD2   LEU  115 - QD    PHE   59   2.35 +/- 0.76  72.596% * 81.2718% (0.98   4.84  30.07) =  93.625%  kept
          QD1   LEU   63 - QD    PHE   59   3.02 +/- 0.69  22.829% * 17.5738% (0.92   1.11   0.24) =   6.366%  kept
          QD2   LEU   63 - QD    PHE   59   4.69 +/- 0.82   4.557% *  0.1168% (0.34   0.02   0.24) =   0.008%
          QD1   LEU   73 - QD    PHE   59  11.58 +/- 0.84   0.007% *  0.3161% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD    PHE   59  11.69 +/- 1.13   0.007% *  0.2742% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  14.44 +/- 1.34   0.003% *  0.3305% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  15.35 +/- 1.98   0.002% *  0.1168% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 4.5, residual support = 30.1:
        T QD1   LEU  115 - QD    PHE   59   3.10 +/- 0.60  98.086% * 99.9042% (0.84 10.00   4.50  30.07) = 100.000%  kept
          QB    ALA   64 - QD    PHE   59   6.76 +/- 0.71   1.831% *  0.0185% (0.15  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - QD    PHE   59  10.88 +/- 0.75   0.083% *  0.0774% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 1.5, residual support = 30.0:
        T HA    LEU  115 - QE    PHE   59   2.96 +/- 0.77  98.411% * 91.6477% (0.73 10.00   1.50  30.07) =  99.929%  kept
          HA    GLU- 114 - QE    PHE   59   6.99 +/- 0.70   0.849% *  7.4285% (1.00  1.00   0.88   0.02) =   0.070%
        T HA    ARG+  54 - QE    PHE   59  10.80 +/- 1.28   0.145% *  0.3330% (0.20 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QE    PHE   59   8.89 +/- 1.73   0.570% *  0.0295% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  16.53 +/- 2.08   0.010% *  0.1460% (0.87  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  17.25 +/- 2.78   0.006% *  0.1649% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  17.38 +/- 1.99   0.006% *  0.1156% (0.69  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  19.73 +/- 1.69   0.003% *  0.1347% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.72, residual support = 10.5:
        T HB    THR  118 - QE    PHE   59   3.62 +/- 1.37  99.733% * 99.7241% (0.95 10.00   1.72  10.48) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  14.81 +/- 2.02   0.127% *  0.0745% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  15.26 +/- 2.15   0.086% *  0.0550% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  18.61 +/- 2.04   0.025% *  0.0745% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  20.27 +/- 0.96   0.015% *  0.0505% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  20.90 +/- 2.23   0.014% *  0.0215% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 3 structures by 0.23 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.788, support = 0.719, residual support = 2.21:
          HB    VAL  107 - QE    PHE   59   4.03 +/- 1.68  77.186% * 68.6148% (0.80   0.73   2.15) =  94.776%  kept
          HB3   ASP-  62 - QE    PHE   59   6.61 +/- 0.88  11.189% * 13.1738% (0.14   0.83   6.53) =   2.638%  kept
          QE    LYS+ 112 - QE    PHE   59   7.32 +/- 2.04  11.195% * 12.8222% (1.00   0.11   0.02) =   2.569%  kept
          HB3   PHE   45 - QE    PHE   59  10.42 +/- 1.62   0.407% *  2.3359% (1.00   0.02   0.02) =   0.017%
          HB3   ASP-  86 - QE    PHE   59  18.69 +/- 2.57   0.011% *  1.0496% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   59  21.74 +/- 1.89   0.004% *  1.4199% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - QE    PHE   59  19.28 +/- 2.02   0.008% *  0.5837% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.724, support = 4.17, residual support = 19.0:
          HG12  ILE  119 - QE    PHE   59   2.78 +/- 0.51  97.414% * 87.6022% (0.73   4.18  19.08) =  99.732%  kept
          HB2   ASP-  44 - QE    PHE   59   6.73 +/- 1.68   2.409% *  9.4875% (0.99   0.33   0.02) =   0.267%
          HB3   PHE   72 - QE    PHE   59   9.26 +/- 1.34   0.123% *  0.5763% (1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QE    PHE   59  12.27 +/- 1.33   0.037% *  0.1440% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - QE    PHE   59  14.82 +/- 1.61   0.008% *  0.5464% (0.95   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   59  16.02 +/- 1.16   0.006% *  0.5662% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  18.14 +/- 1.30   0.002% *  0.5763% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  20.29 +/- 1.87   0.001% *  0.1970% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  25.01 +/- 1.20   0.000% *  0.3039% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (1.11, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.632, support = 2.87, residual support = 11.1:
          HG13  ILE  119 - QE    PHE   59   3.47 +/- 0.91  30.546% * 70.4817% (0.73   3.65  19.08) =  52.715%  kept
          QG1   VAL  107 - QE    PHE   59   2.86 +/- 1.21  68.931% * 28.0131% (0.53   2.00   2.15) =  47.279%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.46 +/- 1.85   0.500% *  0.5037% (0.95   0.02   0.02) =   0.006%
          QB    ALA   20 - QE    PHE   59  13.03 +/- 1.10   0.017% *  0.1328% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  16.21 +/- 2.15   0.003% *  0.4069% (0.76   0.02   0.02) =   0.000%
          QG1   VAL   24 - QE    PHE   59  15.98 +/- 2.02   0.003% *  0.4619% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 0.803, support = 2.47, residual support = 24.5:
        T QD2   LEU  115 - QE    PHE   59   2.91 +/- 1.04  39.763% * 85.3192% (0.87 10.00   2.92  30.07) =  81.253%  kept
        T QD1   LEU   63 - QE    PHE   59   2.64 +/- 1.08  60.204% * 13.0013% (0.53 10.00   0.50   0.24) =  18.747%  kept
        T QD1   LEU  104 - QE    PHE   59  10.32 +/- 1.76   0.012% *  0.9814% (1.00 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QE    PHE   59  10.93 +/- 1.49   0.009% *  0.5175% (0.53 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  14.13 +/- 1.95   0.002% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59  11.02 +/- 2.02   0.009% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  14.81 +/- 2.61   0.001% *  0.0752% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 2.9, residual support = 29.3:
          QD1   LEU  115 - QE    PHE   59   4.18 +/- 0.90  90.880% * 78.3127% (0.45   2.96  30.07) =  97.542%  kept
          QB    ALA   64 - QE    PHE   59   7.26 +/- 1.03   8.387% * 21.3588% (0.45   0.81   0.02) =   2.455%  kept
          QG1   VAL   75 - QE    PHE   59  10.63 +/- 1.36   0.733% *  0.3285% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.98 A violated in 0 structures by 0.03 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.76, residual support = 10.5:
          QG2   THR  118 - QE    PHE   59   2.91 +/- 0.89 100.000% *100.0000% (0.80   3.76  10.48) = 100.000%  kept
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.12, residual support = 71.5:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  99.132% * 99.6769% (0.99  10.0   1.12  71.50) = 100.000%  kept
          QE    PHE   59 - QE    PHE   60   6.77 +/- 1.81   0.833% *  0.0497% (0.28   1.0   0.02  20.26) =   0.000%
          HN    LYS+  66 - QE    PHE   60   8.63 +/- 0.64   0.033% *  0.1367% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   60  15.03 +/- 1.06   0.001% *  0.1367% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 169 (2.26, 7.63, 131.92 ppm):
    10 chemical-shift based assignments, quality = 0.842, support = 2.15, residual support = 7.0:
          HB3   PHE   72 - QE    PHE   60   3.88 +/- 1.17  43.329% * 77.0901% (0.87   2.62   8.57) =  75.277%  kept
          HB2   ASP-  44 - QE    PHE   60   3.50 +/- 0.74  56.311% * 19.4781% (0.76   0.75   2.22) =  24.719%  kept
          HG12  ILE  119 - QE    PHE   60  10.03 +/- 1.36   0.136% *  0.6662% (0.98   0.02   0.02) =   0.002%
          QG    GLU-  15 - QE    PHE   60  10.69 +/- 1.55   0.107% *  0.4397% (0.65   0.02   0.02) =   0.001%
          QG    GLU-  14 - QE    PHE   60  12.72 +/- 1.24   0.036% *  0.5442% (0.80   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   60  13.94 +/- 1.92   0.029% *  0.3848% (0.57   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   60  15.35 +/- 1.71   0.011% *  0.6274% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   60  14.81 +/- 1.18   0.010% *  0.4669% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   60  12.88 +/- 1.80   0.028% *  0.1513% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  20.34 +/- 1.60   0.002% *  0.1513% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.24 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 = 0.945, support = 1.71, residual support = 4.49:
          HB    VAL   42 - QE    PHE   60   6.11 +/- 1.45  23.673% * 55.4597% (1.00  1.00   2.00   5.68) =  72.233%  kept
          HB3   LEU   73 - QE    PHE   60   6.28 +/- 1.09  11.236% * 32.4518% (0.98  1.00   1.19   1.90) =  20.060%  kept
          HB3   LYS+  74 - QE    PHE   60   4.97 +/- 1.05  49.017% *  2.3991% (0.25  1.00   0.35   0.02) =   6.470%  kept
          HG3   LYS+  65 - QE    PHE   60   8.55 +/- 1.34   3.910% *  5.1642% (1.00  1.00   0.19   0.02) =   1.111%  kept
          HB3   PRO   93 - QE    PHE   60   8.60 +/- 2.22  10.979% *  0.1545% (0.28  1.00   0.02   0.02) =   0.093%
        T QB    ALA   84 - QE    PHE   60  12.12 +/- 1.17   0.233% *  1.3860% (0.25 10.00   0.02   0.02) =   0.018%
          QB    LEU   98 - QE    PHE   60  11.26 +/- 1.61   0.332% *  0.2706% (0.49  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  33 - QE    PHE   60  13.87 +/- 1.15   0.087% *  0.5546% (1.00  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - QE    PHE   60  13.30 +/- 1.65   0.102% *  0.4643% (0.84  1.00   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - QE    PHE   60  15.01 +/- 1.93   0.053% *  0.5131% (0.92  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QE    PHE   60  11.75 +/- 1.73   0.267% *  0.0973% (0.18  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    PHE   60  16.66 +/- 1.50   0.029% *  0.4248% (0.76  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QE    PHE   60  14.82 +/- 1.94   0.068% *  0.1237% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QE    PHE   60  18.70 +/- 1.62   0.014% *  0.5364% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 5.26 A violated in 1 structures by 0.06 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.24, support = 0.02, residual support = 2.17:
        T QD1   ILE   56 - QE    PHE   60   7.48 +/- 1.62  87.650% * 54.5438% (0.20 10.00   0.02   2.31) =  94.027%  kept
          QD2   LEU  123 - QE    PHE   60  12.64 +/- 1.83  10.411% * 25.4425% (0.92  1.00   0.02   0.02) =   5.210%  kept
          HG3   LYS+ 121 - QE    PHE   60  15.25 +/- 1.70   1.939% * 20.0137% (0.73  1.00   0.02   0.02) =   0.763%  kept
    Distance limit 5.49 A violated in 16 structures by 1.95 A, eliminated.
    Peak unassigned.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.645, support = 1.56, residual support = 3.76:
          QB    ALA   64 - QE    PHE   60   3.92 +/- 0.92  50.075% * 60.8051% (0.84   1.28   2.55) =  61.589%  kept
          QG1   VAL   42 - QE    PHE   60   3.90 +/- 1.43  49.073% * 38.6865% (0.34   2.00   5.68) =  38.402%  kept
          QB    ALA   47 - QE    PHE   60   9.60 +/- 1.11   0.852% *  0.5085% (0.45   0.02   0.02) =   0.009%
    Distance limit 5.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.841, support = 2.0, residual support = 3.86:
          HB2   ASP-  44 - QD    PHE   60   3.64 +/- 0.49  79.698% * 40.0977% (0.87   1.72   2.22) =  74.231%  kept
          HB3   PHE   72 - QD    PHE   60   4.93 +/- 0.94  19.217% * 57.7159% (0.76   2.80   8.57) =  25.763%  kept
          HG12  ILE  119 - QD    PHE   60   8.30 +/- 1.03   0.834% *  0.1839% (0.34   0.02   0.02) =   0.004%
          QG    GLU-  15 - QD    PHE   60  11.64 +/- 1.19   0.100% *  0.5099% (0.95   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   60  13.89 +/- 1.22   0.050% *  0.4502% (0.84   0.02   0.02) =   0.001%
          QG    GLN   90 - QD    PHE   60  15.33 +/- 1.12   0.024% *  0.3703% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - QD    PHE   60  13.22 +/- 1.22   0.072% *  0.0944% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   60  21.46 +/- 1.41   0.003% *  0.4834% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  19.90 +/- 1.43   0.003% *  0.0944% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.02, residual support = 90.4:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.997% * 99.8968% (0.87  10.0   3.02  90.36) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  13.99 +/- 0.51   0.002% *  0.0745% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  13.97 +/- 0.83   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.759, support = 3.19, residual support = 8.49:
          QD    PHE   60 - QD    PHE   72   3.97 +/- 0.77  91.028% * 89.5999% (0.76   3.21   8.57) =  99.026%  kept
          HN    LYS+  66 - QD    PHE   72   6.36 +/- 0.44   8.570% *  9.3495% (0.28   0.92   0.22) =   0.973%  kept
          HE3   TRP   27 - QD    PHE   72  10.85 +/- 1.00   0.307% *  0.1821% (0.25   0.02   0.02) =   0.001%
          QD    PHE   55 - QD    PHE   72  14.23 +/- 1.40   0.083% *  0.1445% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    PHE   72  18.59 +/- 0.78   0.013% *  0.7239% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.06 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.267, support = 2.18, residual support = 9.96:
          QE    PHE   60 - QD    PHE   72   3.74 +/- 1.00  85.164% * 46.8954% (0.18   2.46   8.57) =  85.376%  kept
          HN    LEU   63 - QD    PHE   72   5.98 +/- 0.85  14.629% * 46.7406% (0.80   0.54  18.05) =  14.617%  kept
          HN    ILE   56 - QD    PHE   72  13.22 +/- 0.84   0.069% *  1.4934% (0.69   0.02   0.02) =   0.002%
          HD21  ASN   28 - QD    PHE   72  14.06 +/- 1.14   0.046% *  1.9498% (0.90   0.02   0.02) =   0.002%
          HZ2   TRP   87 - QD    PHE   72  15.68 +/- 3.35   0.044% *  1.5787% (0.73   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD    PHE   72  15.69 +/- 2.02   0.034% *  0.6710% (0.31   0.02   0.02) =   0.000%
          HN    ALA   84 - QD    PHE   72  17.93 +/- 1.52   0.014% *  0.6710% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.54, residual support = 90.4:
          HN    PHE   72 - QD    PHE   72   2.76 +/- 0.38  99.977% * 99.8210% (0.98   5.54  90.36) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  11.77 +/- 0.55   0.023% *  0.1790% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 90.4:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.191% * 52.6465% (0.76  10.0 10.00   1.00  90.36) =  55.837%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.806% * 47.3200% (0.69  10.0 10.00   3.02  90.36) =  44.163%  kept
          QE    PHE   45 - QE    PHE   72  11.16 +/- 0.86   0.003% *  0.0335% (0.49   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 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.649, support = 0.983, residual support = 6.59:
          QD    PHE   60 - QE    PHE   72   4.98 +/- 1.08  51.080% * 73.3075% (0.76   1.01   8.57) =  76.278%  kept
          HN    LYS+  66 - QE    PHE   72   5.05 +/- 0.39  48.609% * 23.9536% (0.28   0.90   0.22) =  23.719%  kept
          HE3   TRP   27 - QE    PHE   72  12.69 +/- 1.02   0.202% *  0.4748% (0.25   0.02   0.02) =   0.002%
          QD    PHE   55 - QE    PHE   72  14.12 +/- 1.38   0.099% *  0.3768% (0.20   0.02   0.02) =   0.001%
          HN    LYS+  81 - QE    PHE   72  20.44 +/- 0.93   0.011% *  1.8872% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 90.4:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.999% * 99.8250% (1.00  10.0   1.00  90.36) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  18.26 +/- 1.16   0.000% *  0.1133% (0.57   1.0   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  18.50 +/- 0.75   0.000% *  0.0618% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.57, residual support = 90.4:
          HA    PHE   72 - QD    PHE   72   2.89 +/- 0.35  99.910% * 99.8336% (0.90   4.57  90.36) = 100.000%  kept
          HA    MET   96 - QD    PHE   72   9.87 +/- 0.77   0.090% *  0.1664% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.19 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 = 0.364, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72  10.30 +/- 0.72  80.337% *  9.9133% (0.22   0.02   0.02) =  65.284%  kept
          HA    THR   23 - QD    PHE   72  15.40 +/- 0.87   7.866% * 28.8048% (0.65   0.02   0.02) =  18.572%  kept
          HA    ASP-  78 - QD    PHE   72  18.25 +/- 0.44   2.650% * 41.1037% (0.92   0.02   0.02) =   8.928%  kept
          HA    LEU   80 - QD    PHE   72  17.50 +/- 1.29   3.641% * 12.3802% (0.28   0.02   0.02) =   3.695%  kept
          HB    THR   23 - QD    PHE   72  16.24 +/- 0.48   5.508% *  7.7981% (0.18   0.02   0.02) =   3.521%  kept
    Distance limit 5.16 A violated in 20 structures by 4.76 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.582, support = 3.74, residual support = 63.1:
        T HA    ALA   64 - QD    PHE   72   3.17 +/- 0.44  19.447% * 82.2895% (0.92   1.0 10.00   3.09  38.83) =  52.974%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.39 +/- 0.12  80.529% * 17.6413% (0.20  10.0 10.00   4.48  90.36) =  47.026%  kept
          QE    LYS+  66 - QD    PHE   72   9.45 +/- 0.55   0.023% *  0.0222% (0.25   1.0  1.00   0.02   0.22) =   0.000%
          HB3   ASN   35 - QD    PHE   72  14.62 +/- 0.70   0.002% *  0.0469% (0.53   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 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.67, residual support = 90.4:
      O T HB3   PHE   72 - QD    PHE   72   2.50 +/- 0.15  97.055% * 99.4111% (0.98  10.0 10.00   4.67  90.36) =  99.997%  kept
          HB2   ASP-  44 - QD    PHE   72   5.59 +/- 0.91   1.445% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QD    PHE   72   6.35 +/- 1.37   1.400% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   72  10.20 +/- 1.52   0.056% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72   9.70 +/- 0.99   0.038% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  14.15 +/- 0.85   0.003% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  18.77 +/- 1.14   0.001% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  17.09 +/- 1.60   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  17.57 +/- 1.12   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.799, support = 0.991, residual support = 5.92:
        T HB    VAL   42 - QD    PHE   72   3.77 +/- 0.55  93.368% * 65.0103% (0.80 10.00   0.94   5.46) =  98.534%  kept
          HB3   LEU   73 - QD    PHE   72   7.02 +/- 0.32   2.883% * 29.3081% (0.73  1.00   4.67  39.64) =   1.372%  kept
          HG3   LYS+  65 - QD    PHE   72   7.92 +/- 0.64   1.488% *  3.7128% (0.80  1.00   0.54   0.02) =   0.090%
          HB3   LYS+  74 - QD    PHE   72   8.15 +/- 0.47   1.307% *  0.0978% (0.57  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD    PHE   72   9.52 +/- 0.62   0.412% *  0.1442% (0.84  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD    PHE   72  10.82 +/- 1.12   0.254% *  0.1498% (0.87  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - QD    PHE   72  16.89 +/- 1.79   0.018% *  1.0475% (0.61 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    PHE   72  13.76 +/- 1.43   0.069% *  0.1712% (0.99  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  13.35 +/- 1.62   0.082% *  0.0909% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD    PHE   72  12.86 +/- 0.94   0.075% *  0.0841% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  15.49 +/- 1.95   0.029% *  0.0648% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  16.58 +/- 0.97   0.016% *  0.1186% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 1.5, residual support = 35.1:
        T QD1   LEU   67 - QD    PHE   72   3.94 +/- 1.12  84.286% * 97.5868% (0.41 10.00   1.50  35.15) =  99.874%  kept
        T QD1   ILE  119 - QD    PHE   72   7.64 +/- 1.42   5.441% *  1.6652% (0.53 10.00   0.02   0.02) =   0.110%
          QD2   LEU   40 - QD    PHE   72   7.07 +/- 0.63   6.001% *  0.1419% (0.45  1.00   0.02   0.02) =   0.010%
          HB    VAL   75 - QD    PHE   72  10.09 +/- 0.81   0.723% *  0.3102% (0.98  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  74 - QD    PHE   72   8.38 +/- 0.82   2.631% *  0.0705% (0.22  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QD    PHE   72  11.47 +/- 0.71   0.308% *  0.0977% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   72  11.13 +/- 0.60   0.333% *  0.0789% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD    PHE   72  11.89 +/- 0.96   0.278% *  0.0488% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 5.93, residual support = 39.6:
          QD2   LEU   73 - QD    PHE   72   4.92 +/- 0.20  82.867% * 99.0169% (0.95   5.93  39.64) =  99.975%  kept
          QD1   ILE   56 - QD    PHE   72   9.50 +/- 1.13   2.338% *  0.3499% (0.99   0.02   0.02) =   0.010%
          QG1   VAL   43 - QD    PHE   72   7.17 +/- 0.36   9.138% *  0.0545% (0.15   0.02   0.02) =   0.006%
          QG1   VAL   41 - QD    PHE   72   8.00 +/- 0.32   4.694% *  0.0982% (0.28   0.02   0.02) =   0.006%
          HG    LEU   31 - QD    PHE   72  11.03 +/- 0.77   0.726% *  0.2949% (0.84   0.02   0.02) =   0.003%
          HG3   LYS+ 121 - QD    PHE   72  13.48 +/- 1.24   0.238% *  0.1857% (0.53   0.02   0.02) =   0.001%
    Distance limit 5.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.99, residual support = 38.8:
        T QB    ALA   64 - QD    PHE   72   2.66 +/- 0.40  99.951% * 99.9781% (0.80 10.00   4.99  38.83) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72  10.27 +/- 1.40   0.049% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 39.3:
        T QG2   VAL   70 - QD    PHE   72   3.12 +/- 0.60 100.000% *100.0000% (0.65 10.00   1.84  39.31) = 100.000%  kept
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.05, residual support = 38.8:
        T HA    ALA   64 - QE    PHE   72   2.60 +/- 0.39  99.809% * 99.5248% (0.38 10.00   4.05  38.83) = 100.000%  kept
          QE    LYS+  66 - QE    PHE   72   7.92 +/- 0.63   0.188% *  0.2123% (0.80  1.00   0.02   0.22) =   0.000%
          HB3   ASN   35 - QE    PHE   72  15.38 +/- 0.67   0.004% *  0.2628% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.8, residual support = 39.3:
        T HB    VAL   70 - QE    PHE   72   2.75 +/- 0.66  99.084% * 98.7668% (0.99 10.00   3.80  39.31) =  99.994%  kept
        T QG    GLN   17 - QE    PHE   72   7.68 +/- 0.97   0.619% *  0.9617% (0.97 10.00   0.02   0.02) =   0.006%
          HB2   MET   96 - QE    PHE   72   9.93 +/- 0.92   0.124% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  10.73 +/- 1.64   0.130% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  13.32 +/- 1.09   0.022% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  13.49 +/- 0.91   0.015% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  18.89 +/- 0.71   0.002% *  0.0894% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  16.16 +/- 0.60   0.005% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.1, residual support = 35.1:
        T HB2   LEU   67 - QE    PHE   72   2.60 +/- 0.55  96.061% * 91.7736% (0.45 10.00   3.10  35.15) =  99.877%  kept
          HG2   PRO   68 - QE    PHE   72   6.70 +/- 1.18   1.442% *  7.4163% (0.80  1.00   0.90   0.02) =   0.121%
          HB    VAL   18 - QE    PHE   72   6.73 +/- 1.27   1.638% *  0.0456% (0.22  1.00   0.02   6.77) =   0.001%
          HB    ILE   19 - QE    PHE   72   8.40 +/- 0.68   0.197% *  0.1486% (0.73  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    PHE   72   7.62 +/- 1.50   0.417% *  0.0358% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    PHE   72   8.47 +/- 1.00   0.180% *  0.0358% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QE    PHE   72  12.25 +/- 2.01   0.037% *  0.1710% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  12.71 +/- 0.97   0.016% *  0.1776% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  13.42 +/- 1.26   0.011% *  0.1324% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  19.13 +/- 0.68   0.001% *  0.0632% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 3.08, residual support = 34.8:
          HB3   LEU   67 - QE    PHE   72   3.44 +/- 0.64  91.241% * 72.3776% (0.38   3.10  35.15) =  99.001%  kept
          QG    LYS+  66 - QE    PHE   72   6.65 +/- 0.56   3.214% * 19.3035% (0.22   1.39   0.22) =   0.930%  kept
          HG12  ILE   19 - QE    PHE   72   8.20 +/- 1.31   1.994% *  1.0394% (0.84   0.02   0.02) =   0.031%
          QB    ALA   61 - QE    PHE   72   6.87 +/- 0.63   2.873% *  0.6547% (0.53   0.02   0.02) =   0.028%
          HB3   LYS+  74 - QE    PHE   72  10.23 +/- 0.50   0.202% *  1.1160% (0.90   0.02   0.02) =   0.003%
          QB    LEU   98 - QE    PHE   72   9.75 +/- 0.71   0.251% *  0.8050% (0.65   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - QE    PHE   72  11.89 +/- 1.91   0.132% *  1.1487% (0.92   0.02   0.02) =   0.002%
          QB    ALA  110 - QE    PHE   72  13.42 +/- 1.93   0.043% *  0.9510% (0.76   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    PHE   72  14.41 +/- 1.57   0.032% *  0.4670% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    PHE   72  17.38 +/- 2.02   0.009% *  1.2334% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  17.44 +/- 2.27   0.009% *  0.9036% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 4.14, residual support = 35.1:
        T QD1   LEU   67 - QE    PHE   72   2.82 +/- 0.57  91.712% * 98.1791% (0.41 10.00   4.15  35.15) =  99.904%  kept
        T QD1   ILE  119 - QE    PHE   72   6.57 +/- 1.67   6.777% *  1.2564% (0.53 10.00   0.02   0.02) =   0.094%
          QD2   LEU   40 - QE    PHE   72   6.49 +/- 0.72   1.243% *  0.1071% (0.45  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - QE    PHE   72  11.91 +/- 0.98   0.031% *  0.2341% (0.98  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72  10.29 +/- 0.88   0.085% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    PHE   72  10.25 +/- 0.89   0.072% *  0.0595% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  11.21 +/- 1.00   0.046% *  0.0737% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    PHE   72  11.95 +/- 1.25   0.035% *  0.0368% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 0.649, support = 4.4, residual support = 21.0:
          HB3   LEU   63 - QE    PHE   72   3.21 +/- 1.52  52.661% * 81.0767% (0.73   4.44  18.05) =  86.068%  kept
          QG1   VAL   70 - QE    PHE   72   3.38 +/- 0.89  38.013% * 18.1448% (0.18   4.12  39.31) =  13.904%  kept
          QD1   LEU   40 - QE    PHE   72   4.53 +/- 0.72   8.043% *  0.1551% (0.31   0.02   0.02) =   0.025%
          QG1   VAL   18 - QE    PHE   72   6.16 +/- 0.95   1.275% *  0.1253% (0.25   0.02   6.77) =   0.003%
          QG1   VAL  108 - QE    PHE   72  13.50 +/- 1.54   0.007% *  0.4981% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (0.58, 6.99, 130.46 ppm):
    7 chemical-shift based assignments, quality = 0.817, support = 3.78, residual support = 18.1:
          QD2   LEU   63 - QE    PHE   72   3.29 +/- 0.96  64.281% * 38.9007% (0.69   3.65  18.05) =  55.584%  kept
          QD1   LEU   63 - QE    PHE   72   3.94 +/- 0.66  33.204% * 60.1629% (0.98   3.95  18.05) =  44.405%  kept
          QD2   LEU  115 - QE    PHE   72   8.78 +/- 1.65   1.430% *  0.2254% (0.73   0.02   0.02) =   0.007%
          QD1   LEU   73 - QE    PHE   72   8.15 +/- 0.17   0.410% *  0.3043% (0.98   0.02  39.64) =   0.003%
          QD1   LEU  104 - QE    PHE   72   8.98 +/- 0.87   0.229% *  0.1392% (0.45   0.02   0.02) =   0.001%
          QG2   VAL   41 - QE    PHE   72   8.06 +/- 0.38   0.425% *  0.0544% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   72  13.94 +/- 1.60   0.020% *  0.2132% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.681, support = 4.12, residual support = 37.8:
          QB    ALA   64 - QE    PHE   72   3.29 +/- 0.43  58.704% * 95.1138% (0.69   4.25  38.83) =  96.876%  kept
          QG1   VAL   42 - QE    PHE   72   3.55 +/- 0.59  41.279% *  4.3615% (0.49   0.27   5.46) =   3.124%  kept
          QB    ALA   47 - QE    PHE   72  14.66 +/- 0.93   0.007% *  0.3956% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  15.49 +/- 2.61   0.009% *  0.1291% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.98, residual support = 39.3:
        T QG2   VAL   70 - QE    PHE   72   2.59 +/- 0.61 100.000% *100.0000% (0.90 10.00   4.98  39.31) = 100.000%  kept
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 2.66, residual support = 38.8:
        T HA    ALA   64 - HZ    PHE   72   3.14 +/- 0.62  99.487% * 99.7900% (0.65 10.00   2.66  38.83) = 100.000%  kept
          QE    LYS+  66 - HZ    PHE   72   8.14 +/- 0.84   0.508% *  0.0812% (0.53  1.00   0.02   0.22) =   0.000%
          HB3   ASN   35 - HZ    PHE   72  17.87 +/- 0.77   0.005% *  0.1288% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 5.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.3, residual support = 39.3:
        T HB    VAL   70 - HZ    PHE   72   3.43 +/- 0.93  98.956% * 98.2503% (0.92 10.00   3.30  39.31) =  99.992%  kept
        T QG    GLN   17 - HZ    PHE   72   9.47 +/- 1.02   0.565% *  1.0272% (0.97 10.00   0.02   0.02) =   0.006%
        T HB2   MET   96 - HZ    PHE   72  11.90 +/- 1.30   0.411% *  0.5600% (0.53 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HZ    PHE   72  15.51 +/- 1.19   0.024% *  0.0399% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  15.17 +/- 1.26   0.041% *  0.0164% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  22.24 +/- 0.79   0.003% *  0.1062% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 4.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 2.94, residual support = 35.0:
        T HB2   LEU   67 - HZ    PHE   72   2.87 +/- 0.82  93.398% * 91.9154% (0.45 10.00   2.96  35.15) =  99.511%  kept
          HG2   PRO   68 - HZ    PHE   72   7.13 +/- 1.93   5.791% *  7.2733% (0.80  1.00   0.89   0.02) =   0.488%
          HB    VAL   18 - HZ    PHE   72   8.45 +/- 1.44   0.379% *  0.0456% (0.22  1.00   0.02   6.77) =   0.000%
          HB    ILE   19 - HZ    PHE   72  10.46 +/- 0.74   0.100% *  0.1489% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  14.19 +/- 2.58   0.043% *  0.1712% (0.84  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HZ    PHE   72   9.67 +/- 1.62   0.173% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  10.54 +/- 1.06   0.081% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  14.75 +/- 1.01   0.016% *  0.1778% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  15.30 +/- 1.80   0.018% *  0.1326% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  22.50 +/- 0.77   0.001% *  0.0633% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 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 = 2.92, residual support = 34.6:
          HB3   LEU   67 - HZ    PHE   72   3.88 +/- 0.90  88.300% * 77.0284% (0.38   2.96  35.15) =  98.314%  kept
          QG    LYS+  66 - HZ    PHE   72   6.76 +/- 0.73   8.290% * 13.6920% (0.22   0.89   0.22) =   1.641%  kept
          QB    ALA   61 - HZ    PHE   72   8.26 +/- 0.57   1.820% *  0.7303% (0.53   0.02   0.02) =   0.019%
          HG12  ILE   19 - HZ    PHE   72  10.33 +/- 1.49   0.727% *  1.1594% (0.84   0.02   0.02) =   0.012%
          HD3   LYS+ 121 - HZ    PHE   72  13.03 +/- 2.50   0.370% *  1.2814% (0.92   0.02   0.02) =   0.007%
          QB    LEU   98 - HZ    PHE   72  11.30 +/- 0.90   0.272% *  0.8980% (0.65   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HZ    PHE   72  12.58 +/- 0.54   0.128% *  1.2449% (0.90   0.02   0.02) =   0.002%
          QB    ALA  110 - HZ    PHE   72  15.68 +/- 2.21   0.051% *  1.0608% (0.76   0.02   0.02) =   0.001%
          QB    ALA   12 - HZ    PHE   72  16.93 +/- 1.78   0.028% *  0.5210% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - HZ    PHE   72  20.57 +/- 2.30   0.007% *  1.3758% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  20.62 +/- 2.58   0.007% *  1.0080% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.41, support = 3.97, residual support = 35.1:
        T QD1   LEU   67 - HZ    PHE   72   3.44 +/- 0.69  86.243% * 96.1534% (0.41 10.00   3.98  35.15) =  99.826%  kept
        T QD1   ILE  119 - HZ    PHE   72   7.50 +/- 2.20  11.504% *  1.2305% (0.53 10.00   0.02   0.02) =   0.170%
          QD2   LEU   40 - HZ    PHE   72   7.36 +/- 1.01   1.984% *  0.1049% (0.45  1.00   0.02   0.02) =   0.003%
        T HB    VAL   75 - HZ    PHE   72  14.48 +/- 1.09   0.022% *  2.2925% (0.98 10.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HZ    PHE   72  11.42 +/- 1.33   0.115% *  0.0583% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  12.77 +/- 1.38   0.051% *  0.0722% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  12.68 +/- 0.94   0.055% *  0.0521% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  13.97 +/- 1.58   0.026% *  0.0361% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.05 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.761, support = 2.93, residual support = 25.0:
        T HB3   LEU   63 - HZ    PHE   72   4.28 +/- 1.69  43.910% * 71.5017% (0.95 10.00   3.09  18.05) =  67.522%  kept
        T QG1   VAL   70 - HZ    PHE   72   3.75 +/- 0.75  53.232% * 28.3684% (0.38 10.00   2.61  39.31) =  32.477%  kept
          QG1   VAL   18 - HZ    PHE   72   7.76 +/- 1.05   1.296% *  0.0368% (0.49  1.00   0.02   6.77) =   0.001%
          QD1   LEU  123 - HZ    PHE   72   8.36 +/- 1.84   0.835% *  0.0150% (0.20  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HZ    PHE   72   8.16 +/- 0.76   0.716% *  0.0150% (0.20  1.00   0.02  20.12) =   0.000%
          QG1   VAL  108 - HZ    PHE   72  15.73 +/- 1.87   0.010% *  0.0631% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.785, support = 2.51, residual support = 18.2:
          QD2   LEU   63 - HZ    PHE   72   3.99 +/- 0.78  76.830% * 23.2910% (0.69   2.30  18.05) =  66.397%  kept
          QD1   LEU   63 - HZ    PHE   72   5.26 +/- 1.08  20.902% * 42.5612% (0.98   2.94  18.05) =  33.009%  kept
          QD1   LEU   73 - HZ    PHE   72   9.90 +/- 0.21   0.470% * 33.5463% (0.98   2.32  39.64) =   0.584%  kept
          QD2   LEU  115 - HZ    PHE   72  10.17 +/- 1.90   0.658% *  0.2145% (0.73   0.02   0.02) =   0.005%
          QD1   LEU  104 - HZ    PHE   72   9.86 +/- 1.16   0.593% *  0.1324% (0.45   0.02   0.02) =   0.003%
          QG2   VAL   41 - HZ    PHE   72   9.61 +/- 0.49   0.523% *  0.0517% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - HZ    PHE   72  16.51 +/- 1.82   0.025% *  0.2029% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 39.3:
        T QG2   VAL   70 - HZ    PHE   72   3.41 +/- 0.65 100.000% *100.0000% (0.90 10.00   4.44  39.31) = 100.000%  kept
    Distance limit 5.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.85, residual support = 74.4:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.85  74.42) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 74.4:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.998% * 99.9913% (0.98  10.0   1.00  74.42) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  17.89 +/- 1.57   0.002% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.89 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 = 1.06, residual support = 74.4:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.991% * 99.8601% (0.98  10.0 10.00   1.06  74.42) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87  13.79 +/- 3.53   0.008% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  19.01 +/- 1.76   0.001% *  0.0382% (0.38   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 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 74.4:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.789% * 99.5607% (0.99  10.0   1.00  74.42) = 100.000%  kept
          HD21  ASN   28 - HH2   TRP   87   9.72 +/- 3.79   0.207% *  0.1969% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HH2   TRP   87  15.47 +/- 2.96   0.003% *  0.0978% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  21.81 +/- 3.65   0.000% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  21.19 +/- 1.84   0.000% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 74.4:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  99.098% * 99.7330% (0.90  10.0   1.00  74.42) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.83 +/- 0.89   0.900% *  0.0027% (0.01   1.0   0.02  20.23) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  22.94 +/- 4.24   0.000% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  21.05 +/- 2.37   0.000% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  17.12 +/- 1.40   0.001% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  21.19 +/- 1.84   0.000% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.866, support = 0.02, residual support = 0.02:
          HZ2   TRP   27 - HZ2   TRP   87   6.68 +/- 4.92  92.549% * 81.3674% (0.87   0.02   0.02) =  99.858%  kept
          HZ2   TRP   27 - HN    ILE   56  18.54 +/- 1.13   1.292% *  3.5312% (0.04   0.02   0.02) =   0.060%
          HZ    PHE   72 - HN    ILE   56  16.07 +/- 1.29   5.997% *  0.6281% (0.01   0.02   0.02) =   0.050%
          HZ    PHE   72 - HZ2   TRP   87  20.00 +/- 4.13   0.162% * 14.4733% (0.15   0.02   0.02) =   0.031%
    Distance limit 4.62 A violated in 7 structures by 2.33 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.649, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HZ3   TRP   87  14.78 +/- 2.67  38.058% * 10.8062% (0.49   0.02   0.02) =  31.907%  kept
          HN    THR   23 - HZ3   TRP   87  16.37 +/- 2.47  20.097% * 11.6802% (0.53   0.02   0.02) =  18.211%  kept
          HD1   TRP   49 - HZ3   TRP   87  20.00 +/- 2.15   9.507% * 22.0041% (0.99   0.02   0.02) =  16.230%  kept
          HD21  ASN   35 - HZ3   TRP   87  17.68 +/- 4.78  17.775% * 11.6802% (0.53   0.02   0.02) =  16.107%  kept
          HD2   HIS   22 - HZ3   TRP   87  18.71 +/- 2.78   8.562% * 20.4937% (0.92   0.02   0.02) =  13.614%  kept
          HN    LEU   67 - HZ3   TRP   87  24.33 +/- 3.99   1.827% * 19.9101% (0.90   0.02   0.02) =   2.822%  kept
          QD    PHE   55 - HZ3   TRP   87  21.41 +/- 2.07   4.174% *  3.4254% (0.15   0.02   0.02) =   1.109%  kept
    Distance limit 4.03 A violated in 20 structures by 8.04 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 = 22.6:
          HN    ASP-  86 - HD1   TRP   87   4.47 +/- 0.30  99.852% * 97.7183% (0.38   3.73  22.56) =  99.999%  kept
          HN    GLU-  29 - HD1   TRP   87  16.31 +/- 2.63   0.069% *  1.1171% (0.80   0.02   0.02) =   0.001%
          HN    GLN   30 - HD1   TRP   87  16.43 +/- 2.89   0.067% *  0.4306% (0.31   0.02   0.02) =   0.000%
          HN    VAL   18 - HD1   TRP   87  21.13 +/- 2.32   0.012% *  0.7340% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 1.53:
          QD1   LEU   31 - HH2   TRP   87   7.98 +/- 4.22 100.000% *100.0000% (0.80   0.75   1.53) = 100.000%  kept
    Distance limit 5.28 A violated in 14 structures by 2.93 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.454, support = 0.89, residual support = 0.845:
          QD2   LEU   98 - HH2   TRP   87   8.63 +/- 4.71  43.928% * 27.3976% (0.53  1.00   0.64   0.60) =  52.085%  kept
          QD1   LEU   80 - HH2   TRP   87   9.57 +/- 1.45  13.212% * 50.4615% (0.53  1.00   1.17   1.12) =  28.853%  kept
          QD2   LEU   80 - HH2   TRP   87   8.36 +/- 1.51  28.289% * 15.0235% (0.15  1.00   1.19   1.12) =  18.393%  kept
          QG2   VAL   41 - HH2   TRP   87  10.04 +/- 4.36   8.175% *  1.1869% (0.73  1.00   0.02   0.02) =   0.420%
          QD1   LEU   73 - HH2   TRP   87  10.60 +/- 3.33   5.246% *  0.7328% (0.45  1.00   0.02   0.02) =   0.166%
        T QD2   LEU  115 - HH2   TRP   87  18.21 +/- 3.10   0.404% *  2.8626% (0.18 10.00   0.02   0.02) =   0.050%
          QD2   LEU   63 - HH2   TRP   87  17.03 +/- 4.07   0.267% *  1.6022% (0.98  1.00   0.02   0.02) =   0.019%
          QD1   LEU   63 - HH2   TRP   87  15.64 +/- 3.79   0.478% *  0.7328% (0.45  1.00   0.02   0.02) =   0.015%
    Distance limit 5.12 A violated in 10 structures by 1.24 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.728, support = 0.02, residual support = 0.53:
          QD1   LEU   98 - HH2   TRP   87   8.97 +/- 4.60  77.354% * 30.8031% (0.76   0.02   0.60) =  87.730%  kept
          QG2   THR   46 - HH2   TRP   87  13.40 +/- 1.76  12.965% * 10.0504% (0.25   0.02   0.02) =   4.798%  kept
          QD2   LEU  104 - HH2   TRP   87  14.83 +/- 4.30   3.262% * 29.2682% (0.73   0.02   0.02) =   3.515%  kept
          QD1   ILE   19 - HH2   TRP   87  15.97 +/- 3.18   3.944% * 22.8195% (0.57   0.02   0.02) =   3.314%  kept
          QG2   VAL   18 - HH2   TRP   87  16.83 +/- 3.07   2.475% *  7.0588% (0.18   0.02   0.02) =   0.643%  kept
    Distance limit 4.64 A violated in 16 structures by 3.45 A, eliminated.
    Peak unassigned.
 
    Peak 219 (4.35, 7.71, 120.66 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.59, residual support = 74.4:
        T HA    TRP   87 - HE3   TRP   87   3.30 +/- 0.20  99.992% * 99.8092% (0.80 10.00   3.59  74.42) = 100.000%  kept
          HA    PHE   59 - HE3   TRP   87  22.15 +/- 2.47   0.001% *  0.1203% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HE3   TRP   87  18.98 +/- 4.15   0.006% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HE3   TRP   87  23.85 +/- 3.47   0.001% *  0.0512% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.28, residual support = 74.4:
      O T HB2   TRP   87 - HE3   TRP   87   2.49 +/- 0.09  99.999% * 99.0099% (1.00  10.0 10.00   3.28  74.42) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  19.17 +/- 2.05   0.001% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 5.00 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 = 0.933, support = 0.0198, residual support = 0.0198:
        T QD1   ILE  103 - HE3   TRP   87   9.05 +/- 3.99  69.318% * 76.5748% (0.95 10.00   0.02   0.02) =  98.385%  kept
          QG2   ILE  103 - HE3   TRP   87  11.04 +/- 3.98  19.321% *  2.2507% (0.28  1.00   0.02   0.02) =   0.806%  kept
          QD2   LEU   71 - HE3   TRP   87  18.20 +/- 2.88   2.771% *  7.0218% (0.87  1.00   0.02   0.02) =   0.361%
          HG3   LYS+  74 - HE3   TRP   87  18.28 +/- 2.24   3.134% *  3.0381% (0.38  1.00   0.02   0.02) =   0.176%
          QG2   ILE  119 - HE3   TRP   87  19.97 +/- 2.56   1.001% *  8.0949% (1.00  1.00   0.02   0.02) =   0.150%
          QD2   LEU   40 - HE3   TRP   87  15.53 +/- 3.49   3.141% *  1.4177% (0.18  1.00   0.02   0.02) =   0.083%
          QD1   LEU   67 - HE3   TRP   87  19.23 +/- 3.72   1.314% *  1.6020% (0.20  1.00   0.02   0.02) =   0.039%
    Distance limit 5.20 A violated in 17 structures by 3.58 A, eliminated.
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.24, residual support = 74.4:
          HA    TRP   87 - HD1   TRP   87   4.55 +/- 0.15  99.962% * 99.1071% (0.80   4.24  74.42) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  20.37 +/- 1.86   0.014% *  0.5631% (0.97   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  23.36 +/- 2.84   0.007% *  0.2399% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  20.47 +/- 3.26   0.016% *  0.0900% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 4.0, residual support = 13.0:
        T HA    VAL   83 - HD1   TRP   87   5.08 +/- 0.86  97.638% * 95.9068% (0.41 10.00   4.00  12.99) =  99.978%  kept
        T HA    VAL   24 - HD1   TRP   87  11.25 +/- 2.25   2.280% *  0.8755% (0.38 10.00   0.02   0.02) =   0.021%
        T HA    LYS+  38 - HD1   TRP   87  24.09 +/- 3.34   0.015% *  2.0922% (0.90 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD1   TRP   87  22.02 +/- 3.36   0.024% *  1.0459% (0.45 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD1   TRP   87  20.18 +/- 1.36   0.043% *  0.0796% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 4 structures by 0.55 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.92, residual support = 74.4:
      O   HB2   TRP   87 - HD1   TRP   87   3.85 +/- 0.04  99.982% * 99.0099% (1.00  10.0  1.00   3.92  74.42) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  16.61 +/- 1.77   0.018% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 5.04 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 = 22.6:
        T HB2   ASP-  86 - HD1   TRP   87   3.72 +/- 0.41  99.788% * 98.2033% (1.00 10.00   3.60  22.56) = 100.000%  kept
        T HB2   ASN   28 - HD1   TRP   87  15.23 +/- 2.72   0.041% *  0.8221% (0.84 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  11.92 +/- 0.99   0.159% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  21.66 +/- 3.10   0.004% *  0.7881% (0.80 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  20.63 +/- 3.06   0.006% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  22.69 +/- 1.77   0.003% *  0.0931% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.79, residual support = 74.4:
      O   HB3   TRP   87 - HD1   TRP   87   2.75 +/- 0.06  99.955% * 99.2543% (0.25  10.0   3.79  74.42) = 100.000%  kept
          HG3   MET   96 - HD1   TRP   87  11.84 +/- 3.56   0.044% *  0.2254% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD1   TRP   87  25.43 +/- 3.37   0.000% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  22.02 +/- 1.94   0.000% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  24.41 +/- 2.63   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.858, support = 2.97, residual support = 14.0:
        T QG2   VAL   83 - HD1   TRP   87   3.48 +/- 0.94  42.850% * 87.7346% (0.90 10.00   2.81  12.99) =  84.585%  kept
          QD1   ILE   89 - HD1   TRP   87   3.22 +/- 0.90  56.343% * 12.1597% (0.65  1.00   3.84  19.79) =  15.415%  kept
          QG2   VAL   43 - HD1   TRP   87   7.99 +/- 2.75   0.768% *  0.0132% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HD1   TRP   87  11.91 +/- 2.69   0.040% *  0.0925% (0.95  1.00   0.02   1.53) =   0.000%
    Distance limit 3.88 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 = 0.939, support = 1.02, residual support = 19.6:
        T QG2   ILE   89 - HD1   TRP   87   3.91 +/- 0.17  78.249% * 89.7085% (0.95 10.00   1.01  19.79) =  96.926%  kept
          QG1   VAL   83 - HD1   TRP   87   5.26 +/- 0.94  21.739% * 10.2392% (0.73  1.00   1.50  12.99) =   3.074%  kept
          QD1   LEU  104 - HD1   TRP   87  18.13 +/- 3.01   0.012% *  0.0523% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 5.18 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 = 0.414, support = 1.01, residual support = 0.931:
          QD1   LEU   80 - HZ2   TRP   87   7.62 +/- 1.39  12.369% * 49.6928% (0.53   1.19   1.12) =  35.453%  kept
          QD2   LEU   98 - HZ2   TRP   87   9.19 +/- 4.38  19.184% * 31.3452% (0.53   0.75   0.60) =  34.685%  kept
          QD2   LEU   80 - HZ2   TRP   87   6.43 +/- 1.48  36.299% * 13.7647% (0.15   1.12   1.12) =  28.819%  kept
          QD2   LEU  115 - HN    ILE   56   7.45 +/- 1.14  17.486% *  0.5208% (0.01   0.86   0.02) =   0.525%  kept
          QG2   VAL   41 - HZ2   TRP   87  10.10 +/- 4.10   4.852% *  1.1537% (0.73   0.02   0.02) =   0.323%
          QD1   LEU   73 - HZ2   TRP   87   9.74 +/- 3.22   3.782% *  0.7123% (0.45   0.02   0.02) =   0.155%
          QD2   LEU   63 - HZ2   TRP   87  16.61 +/- 3.83   0.150% *  1.5573% (0.98   0.02   0.02) =   0.013%
          QD1   LEU   63 - HZ2   TRP   87  15.06 +/- 3.62   0.285% *  0.7123% (0.45   0.02   0.02) =   0.012%
          QD1   LEU   63 - HN    ILE   56   9.21 +/- 0.61   3.547% *  0.0309% (0.02   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    ILE   56  11.27 +/- 0.87   1.340% *  0.0676% (0.04   0.02   0.02) =   0.005%
          QD2   LEU  115 - HZ2   TRP   87  17.68 +/- 2.98   0.115% *  0.2782% (0.18   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ILE   56  15.99 +/- 1.78   0.132% *  0.0363% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE   56  15.85 +/- 0.66   0.137% *  0.0309% (0.02   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE   56  17.11 +/- 0.95   0.084% *  0.0501% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE   56  16.95 +/- 1.59   0.109% *  0.0363% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE   56  16.02 +/- 1.15   0.129% *  0.0106% (0.01   0.02   0.02) =   0.000%
    Distance limit 5.45 A violated in 1 structures by 0.16 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 0.644, residual support = 1.31:
          QD1   LEU   31 - HZ2   TRP   87   7.85 +/- 4.07  28.884% * 92.4210% (0.15   0.75   1.53) =  85.459%  kept
          QG2   VAL   43 - HZ2   TRP   87   6.67 +/- 3.56  63.104% *  7.1612% (0.45   0.02   0.02) =  14.467%  kept
          QG2   VAL   43 - HN    ILE   56  12.91 +/- 0.95   7.241% *  0.3108% (0.02   0.02   0.02) =   0.072%
          QD1   LEU   31 - HN    ILE   56  18.21 +/- 0.94   0.771% *  0.1070% (0.01   0.02   0.02) =   0.003%
    Distance limit 5.09 A violated in 8 structures by 1.55 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 2.39, residual support = 49.5:
          HA    TRP   49 - HE3   TRP   49   4.41 +/- 0.43  39.463% * 60.9764% (0.69   3.21  86.70) =  55.796%  kept
          HA    CYS   50 - HE3   TRP   49   4.33 +/- 1.58  57.676% * 32.8104% (0.87   1.37   2.56) =  43.879%  kept
          HA    ALA   47 - HE3   TRP   49   7.47 +/- 1.02   2.788% *  5.0143% (0.76   0.24  14.71) =   0.324%
          HA1   GLY  109 - HE3   TRP   49  15.15 +/- 2.09   0.039% *  0.4621% (0.84   0.02   0.02) =   0.000%
          HA    VAL  108 - HE3   TRP   49  15.72 +/- 1.76   0.028% *  0.3579% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HE3   TRP   49  21.00 +/- 0.92   0.005% *  0.2693% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  30.27 +/- 1.36   0.001% *  0.1095% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.58, residual support = 86.7:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.631% * 98.2305% (1.00   3.58  86.70) =  99.999%  kept
          QE    PHE   95 - HE3   TRP   49  14.50 +/- 2.60   0.284% *  0.2066% (0.38   0.02   0.02) =   0.001%
          HD2   HIS   22 - HE3   TRP   49  18.58 +/- 1.89   0.051% *  0.5396% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - HE3   TRP   49  20.23 +/- 1.02   0.027% *  0.2263% (0.41   0.02   0.02) =   0.000%
          HN    LEU   67 - HE3   TRP   49  26.24 +/- 1.17   0.006% *  0.4408% (0.80   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE3   TRP   49  32.95 +/- 2.02   0.001% *  0.3561% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.59 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.824, support = 0.0199, residual support = 84.1:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  94.904% * 16.7579% (0.84   0.02  86.70) =  96.952%  kept
          QE    PHE   95 - HH2   TRP   49  14.31 +/- 2.43   1.423% * 15.3326% (0.76   0.02   0.02) =   1.330%  kept
          QD    PHE   55 - HH2   TRP   49  12.93 +/- 1.85   3.088% *  6.8436% (0.34   0.02   0.02) =   1.288%  kept
          HD2   HIS   22 - HH2   TRP   49  19.20 +/- 2.27   0.226% * 13.7814% (0.69   0.02   0.02) =   0.190%
          HN    THR   23 - HH2   TRP   49  20.08 +/- 1.75   0.152% * 16.0651% (0.80   0.02   0.02) =   0.149%
          HE3   TRP   27 - HH2   TRP   49  19.58 +/- 1.76   0.174% *  5.5782% (0.28   0.02   0.02) =   0.059%
          HN    LEU   67 - HH2   TRP   49  26.87 +/- 1.23   0.023% * 20.0629% (1.00   0.02   0.02) =   0.028%
          HD21  ASN   35 - HH2   TRP   49  31.48 +/- 2.47   0.010% *  5.5782% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.40 A violated in 20 structures by 2.21 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.718, support = 4.17, residual support = 69.0:
          HA    TRP   49 - HD1   TRP   49   4.19 +/- 0.42  63.737% * 44.5967% (0.69   4.64  86.70) =  77.652%  kept
          HA    CYS   50 - HD1   TRP   49   6.25 +/- 1.24  11.814% * 41.2408% (0.87   3.40   2.56) =  13.310%  kept
          HA    ALA   47 - HD1   TRP   49   5.14 +/- 0.90  24.405% * 13.5564% (0.76   1.27  14.71) =   9.038%  kept
          HA1   GLY  109 - HD1   TRP   49  17.34 +/- 2.04   0.015% *  0.2336% (0.84   0.02   0.02) =   0.000%
          HA    VAL  108 - HD1   TRP   49  16.93 +/- 1.81   0.016% *  0.1809% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  17.96 +/- 1.31   0.012% *  0.1362% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  29.64 +/- 1.73   0.001% *  0.0554% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.69, 7.13, 121.44 ppm):
    2 chemical-shift based assignments, quality = 0.549, support = 0.02, residual support = 0.494:
          QD1   LEU   98 - HZ3   TRP   87   9.37 +/- 4.27  90.640% * 31.1453% (0.45   0.02   0.60) =  81.413%  kept
          QG2   ILE   19 - HZ3   TRP   87  16.23 +/- 2.76   9.360% * 68.8547% (0.99   0.02   0.02) =  18.587%  kept
    Distance limit 5.34 A violated in 16 structures by 3.81 A, eliminated.
    Peak unassigned.
 
    Peak 236 (0.98, 7.13, 121.44 ppm):
    8 chemical-shift based assignments, quality = 0.644, support = 0.189, residual support = 0.0198:
          QD1   ILE  103 - HZ3   TRP   87   8.24 +/- 4.63  65.828% * 55.6144% (0.65   0.20   0.02) =  95.224%  kept
          QG2   ILE  103 - HZ3   TRP   87  10.49 +/- 4.54  12.780% *  8.2300% (0.95   0.02   0.02) =   2.736%  kept
          HB    VAL   75 - HZ3   TRP   87  12.33 +/- 2.61  14.917% *  2.1694% (0.25   0.02   0.02) =   0.842%  kept
          QD2   LEU   71 - HZ3   TRP   87  17.29 +/- 3.28   2.063% *  6.6489% (0.76   0.02   0.02) =   0.357%
          QD2   LEU   40 - HZ3   TRP   87  14.70 +/- 4.12   1.884% *  7.2669% (0.84   0.02   0.02) =   0.356%
          HG3   LYS+  74 - HZ3   TRP   87  18.64 +/- 2.43   1.356% *  8.6231% (0.99   0.02   0.02) =   0.304%
          QD1   LEU   67 - HZ3   TRP   87  18.83 +/- 4.13   0.659% *  7.5467% (0.87   0.02   0.02) =   0.129%
          QG2   ILE  119 - HZ3   TRP   87  20.19 +/- 2.99   0.513% *  3.9005% (0.45   0.02   0.02) =   0.052%
    Distance limit 5.50 A violated in 12 structures by 2.34 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 237 (1.82, 7.13, 121.44 ppm):
    10 chemical-shift based assignments, quality = 0.788, support = 0.0199, residual support = 0.0199:
          HG12  ILE  103 - HZ3   TRP   87  11.12 +/- 5.32  59.976% * 11.3326% (0.76   0.02   0.02) =  59.104%  kept
          HB    VAL   41 - HZ3   TRP   87  13.88 +/- 4.75  14.349% * 13.2989% (0.90   0.02   0.02) =  16.594%  kept
          QB    LYS+ 102 - HZ3   TRP   87  14.41 +/- 5.03   9.770% * 11.3326% (0.76   0.02   0.02) =   9.628%  kept
          HG2   PRO   93 - HZ3   TRP   87  17.08 +/- 2.18   6.080% * 14.0274% (0.95   0.02   0.02) =   7.416%  kept
          HB2   LEU   71 - HZ3   TRP   87  17.98 +/- 4.10   4.141% *  8.9941% (0.61   0.02   0.02) =   3.239%  kept
          HB3   PRO   52 - HZ3   TRP   87  20.26 +/- 2.74   3.263% *  7.2180% (0.49   0.02   0.02) =   2.048%  kept
          QB    LYS+  66 - HZ3   TRP   87  22.77 +/- 3.70   0.825% * 14.6976% (0.99   0.02   0.02) =   1.055%  kept
          QB    LYS+  65 - HZ3   TRP   87  24.16 +/- 2.92   0.732% *  9.5928% (0.65   0.02   0.02) =   0.610%  kept
          HG    LEU  123 - HZ3   TRP   87  27.04 +/- 4.16   0.312% *  7.2180% (0.49   0.02   0.02) =   0.196%
          HB3   GLN   17 - HZ3   TRP   87  25.93 +/- 3.25   0.552% *  2.2880% (0.15   0.02   0.02) =   0.110%
    Distance limit 5.50 A violated in 17 structures by 4.24 A, eliminated.
    Peak unassigned.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   3.34 +/- 0.46 100.000% *100.0000% (0.61   3.86  73.52) = 100.000%  kept
    Distance limit 4.93 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   2.53 +/- 0.39 100.000% *100.0000% (0.98 10.00   3.44  73.52) = 100.000%  kept
    Distance limit 4.97 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 = 4.55:
          HA    ASP-  44 - QD    PHE   95   3.28 +/- 0.75  99.486% * 93.1915% (0.90   2.00   4.55) =  99.997%  kept
          HA    ILE  103 - QD    PHE   95  10.59 +/- 0.82   0.217% *  0.7546% (0.73   0.02   0.02) =   0.002%
          HB    THR   77 - QD    PHE   95  11.94 +/- 1.13   0.068% *  0.8679% (0.84   0.02   0.02) =   0.001%
          HA    LEU  104 - QD    PHE   95  11.62 +/- 0.85   0.117% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   95  16.23 +/- 1.22   0.014% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  16.55 +/- 1.86   0.013% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA    THR   39 - QD    PHE   95  14.78 +/- 0.92   0.029% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  14.12 +/- 1.24   0.034% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  19.75 +/- 1.42   0.007% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  16.46 +/- 0.98   0.011% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  25.25 +/- 2.06   0.002% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  27.92 +/- 2.23   0.001% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.5:
      O T HB2   PHE   95 - QD    PHE   95   2.39 +/- 0.12 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.52) = 100.000%  kept
    Distance limit 4.44 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   2.59 +/- 0.18  99.935% * 99.8712% (0.99  10.0 10.00   3.31  73.52) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95   9.43 +/- 1.31   0.064% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  19.83 +/- 0.88   0.001% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.84, residual support = 45.5:
        T HB    VAL  107 - QD    PHE   95   2.64 +/- 0.89  98.716% * 99.7392% (0.92 10.00   3.84  45.55) =  99.999%  kept
          HB3   PHE   45 - QD    PHE   95   7.26 +/- 1.00   0.944% *  0.0568% (0.53  1.00   0.02   1.89) =   0.001%
          QE    LYS+ 112 - QD    PHE   95   9.02 +/- 2.05   0.318% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   95  14.35 +/- 1.03   0.016% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  17.20 +/- 1.11   0.005% *  0.0902% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.769, support = 0.687, residual support = 3.65:
          HB3   ASP-  44 - QD    PHE   95   4.17 +/- 1.23  59.066% * 27.9354% (0.76   0.75   4.55) =  74.211%  kept
          HB3   PRO   93 - QD    PHE   95   5.23 +/- 1.14  22.930% * 11.5593% (1.00   0.24   0.02) =  11.921%  kept
          HB2   LEU   63 - QD    PHE   95   6.14 +/- 0.91   9.584% * 23.6468% (0.65   0.75   2.40) =  10.193%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.92 +/- 0.83   2.148% * 19.8242% (0.61   0.67   0.02) =   1.915%  kept
          HB    VAL   42 - QD    PHE   95   7.20 +/- 0.94   3.319% * 11.2822% (0.31   0.75   1.44) =   1.684%  kept
          HG    LEU   98 - QD    PHE   95   9.51 +/- 1.44   0.779% *  0.9407% (0.97   0.02   0.02) =   0.033%
          HB3   LEU   73 - QD    PHE   95   9.14 +/- 0.94   0.728% *  0.3658% (0.38   0.02   0.02) =   0.012%
          QB    ALA   84 - QD    PHE   95  11.51 +/- 1.10   0.188% *  0.9726% (1.00   0.02   0.02) =   0.008%
          HB2   LYS+ 112 - QD    PHE   95  10.56 +/- 1.70   0.370% *  0.4745% (0.49   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - QD    PHE   95   9.97 +/- 1.69   0.569% *  0.3009% (0.31   0.02   0.02) =   0.008%
          QB    ALA  124 - QD    PHE   95  13.76 +/- 1.15   0.057% *  0.8742% (0.90   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QD    PHE   95  12.30 +/- 1.10   0.113% *  0.3009% (0.31   0.02   0.02) =   0.002%
          HB3   LEU   80 - QD    PHE   95  14.20 +/- 1.84   0.059% *  0.5128% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   95  14.48 +/- 1.17   0.047% *  0.3658% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD    PHE   95  15.81 +/- 1.03   0.025% *  0.4007% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  16.62 +/- 1.00   0.018% *  0.2431% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.85, residual support = 45.5:
        T QG2   VAL  107 - QD    PHE   95   2.68 +/- 0.72  99.671% * 99.7831% (0.99 10.00   3.85  45.55) = 100.000%  kept
          HG13  ILE  103 - QD    PHE   95   9.55 +/- 0.98   0.194% *  0.0806% (0.80  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD    PHE   95  10.92 +/- 1.47   0.099% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  11.75 +/- 0.61   0.036% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.967, support = 1.3, residual support = 5.4:
        T QD2   LEU  115 - QD    PHE   95   5.06 +/- 2.01  35.667% * 82.9347% (0.99 10.00   1.08   6.26) =  77.933%  kept
          QD1   LEU   63 - QD    PHE   95   3.76 +/- 1.05  56.736% * 14.4976% (0.90  1.00   2.10   2.40) =  21.671%  kept
          QD2   LEU   63 - QD    PHE   95   5.55 +/- 1.19   7.169% *  2.0913% (0.31  1.00   0.88   2.40) =   0.395%
          QD1   LEU   73 - QD    PHE   95   8.82 +/- 0.62   0.212% *  0.1384% (0.90  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QD    PHE   95  10.04 +/- 1.04   0.097% *  0.1289% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   95  11.53 +/- 1.50   0.064% *  0.1512% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   95  12.02 +/- 2.18   0.056% *  0.0579% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.04 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 = 1.44:
        T QG1   VAL   42 - QD    PHE   95   4.23 +/- 0.81  91.209% * 94.1822% (0.65 10.00   0.75   1.44) =  99.771%  kept
          QB    ALA   64 - QD    PHE   95   7.40 +/- 1.09   5.529% *  2.7310% (0.53  1.00   0.27   0.02) =   0.175%
        T QB    ALA   47 - QD    PHE   95   9.64 +/- 0.83   1.484% *  2.9670% (0.76 10.00   0.02   0.02) =   0.051%
          HG2   LYS+ 112 - QD    PHE   95  10.20 +/- 2.19   1.778% *  0.1198% (0.31  1.00   0.02   0.02) =   0.002%
    Distance limit 4.76 A violated in 1 structures by 0.18 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.716, support = 4.02, residual support = 14.1:
          HA    ILE  119 - HD2   HIS  122   2.77 +/- 0.65  92.475% * 53.7203% (0.73   4.00  14.91) =  93.575%  kept
          HA    THR  118 - HD2   HIS  122   4.94 +/- 0.38   7.505% * 45.4483% (0.57   4.34   2.80) =   6.425%  kept
          HD3   PRO   58 - HD2   HIS  122  13.34 +/- 1.68   0.012% *  0.1141% (0.31   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  15.63 +/- 1.85   0.006% *  0.1028% (0.28   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  18.37 +/- 1.17   0.002% *  0.2094% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  22.14 +/- 2.13   0.001% *  0.1658% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  26.04 +/- 1.39   0.000% *  0.2392% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (3.47, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 3.78, residual support = 74.1:
      O T HB2   HIS  122 - HD2   HIS  122   3.74 +/- 0.32  99.888% * 99.7225% (0.49  10.0 10.00   3.78  74.05) = 100.000%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.41 +/- 0.98   0.089% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HD2   HIS  122  16.77 +/- 1.74   0.022% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  24.02 +/- 1.57   0.002% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.91, residual support = 74.1:
      O T HB3   HIS  122 - HD2   HIS  122   2.90 +/- 0.34  97.837% * 99.8473% (0.97  10.0 10.00   3.91  74.05) =  99.998%  kept
          QE    LYS+ 121 - HD2   HIS  122   6.41 +/- 1.00   2.161% *  0.0711% (0.69   1.0  1.00   0.02  50.01) =   0.002%
          HG2   GLN   30 - HD2   HIS  122  19.53 +/- 1.52   0.001% *  0.0230% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  25.33 +/- 1.29   0.000% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.535, support = 0.116, residual support = 0.0198:
          QB    LYS+ 106 - HD2   HIS  122   9.04 +/- 1.20   6.194% * 47.7874% (0.65   0.20   0.02) =  53.709%  kept
          HB3   ASP- 105 - HD2   HIS  122   5.59 +/- 1.89  80.531% *  2.5204% (0.34   0.02   0.02) =  36.831%  kept
          HB    ILE   56 - HD2   HIS  122  12.90 +/- 1.86   3.435% *  7.2425% (0.98   0.02   0.02) =   4.514%  kept
          HG3   PRO   68 - HD2   HIS  122  10.51 +/- 2.36   6.137% *  1.8424% (0.25   0.02   0.02) =   2.052%  kept
          HB3   PRO   58 - HD2   HIS  122  13.71 +/- 1.93   2.460% *  4.4815% (0.61   0.02   0.02) =   2.000%  kept
          HB2   MET   92 - HD2   HIS  122  18.10 +/- 1.26   0.228% *  5.9165% (0.80   0.02   0.02) =   0.245%
          HB3   LYS+  38 - HD2   HIS  122  16.80 +/- 1.95   0.135% *  7.3724% (1.00   0.02   0.02) =   0.180%
          HB    ILE  103 - HD2   HIS  122  13.20 +/- 1.95   0.468% *  2.0544% (0.28   0.02   0.02) =   0.175%
          HB3   GLN   30 - HD2   HIS  122  18.09 +/- 1.72   0.097% *  6.8207% (0.92   0.02   0.02) =   0.120%
          QB    LYS+  33 - HD2   HIS  122  17.38 +/- 1.18   0.140% *  3.3126% (0.45   0.02   0.02) =   0.084%
          HG2   ARG+  54 - HD2   HIS  122  20.18 +/- 1.72   0.126% *  2.2805% (0.31   0.02   0.02) =   0.052%
          QB    LYS+  81 - HD2   HIS  122  24.62 +/- 1.37   0.023% *  4.4815% (0.61   0.02   0.02) =   0.019%
          HB3   GLN   90 - HD2   HIS  122  24.77 +/- 1.30   0.026% *  3.8874% (0.53   0.02   0.02) =   0.019%
    Distance limit 5.05 A violated in 3 structures by 0.62 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 = 0.914, support = 5.58, residual support = 49.7:
          HB2   LYS+ 121 - HD2   HIS  122   4.16 +/- 0.59  94.176% * 68.0969% (0.92   5.61  50.01) =  97.710%  kept
          HB2   LEU  123 - HD2   HIS  122   7.12 +/- 0.54   4.921% * 30.5188% (0.53   4.41  38.53) =   2.288%  kept
          QD    LYS+  65 - HD2   HIS  122  12.80 +/- 1.85   0.298% *  0.2490% (0.95   0.02   0.02) =   0.001%
          HG3   PRO   93 - HD2   HIS  122  15.48 +/- 1.87   0.087% *  0.1490% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD2   HIS  122  14.91 +/- 2.04   0.064% *  0.2011% (0.76   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  12.82 +/- 1.44   0.259% *  0.0406% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  16.37 +/- 1.95   0.039% *  0.2626% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  14.99 +/- 1.66   0.085% *  0.0988% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  16.27 +/- 0.95   0.035% *  0.0732% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  22.51 +/- 2.95   0.007% *  0.2580% (0.98   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  17.29 +/- 1.33   0.030% *  0.0521% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (1.53, 6.83, 120.22 ppm):
    9 chemical-shift based assignments, quality = 0.921, support = 4.8, residual support = 50.0:
          HB3   LYS+ 121 - HD2   HIS  122   4.42 +/- 1.02  67.957% * 71.3957% (1.00   4.73  50.01) =  88.342%  kept
          HD2   LYS+ 121 - HD2   HIS  122   5.71 +/- 1.28  23.423% * 27.2510% (0.34   5.29  50.01) =  11.622%  kept
          QD    LYS+  66 - HD2   HIS  122   8.57 +/- 2.36   7.000% *  0.2195% (0.73   0.02   0.02) =   0.028%
          HG    LEU  104 - HD2   HIS  122   9.53 +/- 2.10   1.289% *  0.3016% (1.00   0.02   0.02) =   0.007%
          HB3   LYS+ 111 - HD2   HIS  122  13.65 +/- 1.36   0.079% *  0.2917% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  15.52 +/- 1.76   0.058% *  0.2860% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD2   HIS  122  13.08 +/- 2.02   0.159% *  0.0841% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  19.24 +/- 2.53   0.017% *  0.1031% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  17.86 +/- 1.17   0.019% *  0.0673% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.195, support = 3.22, residual support = 14.6:
          QG2   ILE  119 - HD2   HIS  122   4.41 +/- 0.65  57.878% * 73.8311% (0.18  1.00   3.30  14.91) =  97.561%  kept
          QD1   LEU   67 - HD2   HIS  122   7.18 +/- 3.24  26.401% *  2.5496% (1.00  1.00   0.02   0.43) =   1.537%  kept
          QD2   LEU   40 - HD2   HIS  122   6.61 +/- 1.84  14.261% *  2.5553% (1.00  1.00   0.02   0.63) =   0.832%  kept
          QG2   ILE  103 - HD2   HIS  122   9.44 +/- 1.61   0.933% *  2.4660% (0.97  1.00   0.02   0.02) =   0.053%
        T HB    VAL   75 - HD2   HIS  122  16.47 +/- 1.19   0.022% * 14.4670% (0.57 10.00   0.02   0.02) =   0.007%
          QD1   ILE  103 - HD2   HIS  122  11.16 +/- 1.86   0.336% *  0.7887% (0.31  1.00   0.02   0.02) =   0.006%
          QD2   LEU   71 - HD2   HIS  122  12.20 +/- 0.92   0.147% *  1.0505% (0.41  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HD2   HIS  122  16.54 +/- 1.65   0.022% *  2.2917% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.491, support = 4.53, residual support = 38.0:
          QD1   LEU  123 - HD2   HIS  122   5.07 +/- 0.93  63.574% * 51.5478% (0.49   4.65  38.53) =  89.465%  kept
          QD2   LEU  123 - HD2   HIS  122   7.25 +/- 0.77   7.669% * 44.2105% (0.49   3.99  38.53) =   9.257%  kept
          HB3   LEU  104 - HD2   HIS  122   8.02 +/- 2.55  11.741% *  3.8033% (0.84   0.20   0.02) =   1.219%  kept
          QG1   VAL   70 - HD2   HIS  122   6.39 +/- 0.71  16.133% *  0.1266% (0.28   0.02   0.02) =   0.056%
          QD1   LEU   71 - HD2   HIS  122  11.92 +/- 1.44   0.405% *  0.2217% (0.49   0.02   0.02) =   0.002%
          QG1   VAL   18 - HD2   HIS  122  12.07 +/- 1.59   0.479% *  0.0901% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.984, residual support = 2.8:
        T QG2   THR  118 - HD2   HIS  122   3.25 +/- 0.17 100.000% *100.0000% (0.69 10.00   0.98   2.80) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 259 (-1.01, 8.33, 138.33 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 260 (1.38, 7.32, 120.14 ppm):
    30 chemical-shift based assignments, quality = 0.881, support = 1.12, residual support = 17.7:
          HB3   LEU   73 - HE3   TRP   27   5.14 +/- 0.92  55.963% * 61.3211% (0.94   1.15  18.63) =  92.465%  kept
          HB2   LEU   80 - HE3   TRP   27   7.75 +/- 3.84  23.774% *  7.4082% (0.17   0.75  10.87) =   4.746%  kept
          HG3   LYS+  65 - HN    LEU   67   6.77 +/- 0.35   9.322% *  6.8878% (0.15   0.80   0.02) =   1.730%  kept
          HB3   LYS+  74 - HE3   TRP   27   8.47 +/- 0.83   2.510% * 14.2037% (0.31   0.82   0.02) =   0.961%  kept
          HG3   LYS+  33 - HE3   TRP   27  11.12 +/- 2.37   0.933% *  1.1255% (0.99   0.02   0.02) =   0.028%
          HB    VAL   42 - HE3   TRP   27  10.23 +/- 1.27   0.861% *  1.1057% (0.97   0.02   0.02) =   0.026%
          QB    LEU   98 - HE3   TRP   27  10.50 +/- 1.16   0.814% *  0.6386% (0.56   0.02   0.02) =   0.014%
          QB    ALA   84 - HE3   TRP   27  10.29 +/- 2.51   1.656% *  0.2232% (0.20   0.02   0.02) =   0.010%
          HB    VAL   42 - HN    LEU   67   8.72 +/- 0.39   2.099% *  0.1720% (0.15   0.02   0.02) =   0.010%
          HG    LEU   98 - HE3   TRP   27  11.19 +/- 1.97   0.835% *  0.1527% (0.13   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HE3   TRP   27  15.71 +/- 1.58   0.073% *  0.8621% (0.76   0.02   0.02) =   0.002%
          QB    ALA   12 - HE3   TRP   27  19.37 +/- 2.97   0.056% *  0.9422% (0.83   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HE3   TRP   27  18.07 +/- 2.29   0.035% *  1.0413% (0.91   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   67  13.25 +/- 0.46   0.165% *  0.1660% (0.15   0.02   0.02) =   0.001%
          HB3   PRO   93 - HE3   TRP   27  15.23 +/- 1.13   0.081% *  0.2511% (0.22   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HE3   TRP   27  19.14 +/- 1.42   0.017% *  1.1057% (0.97   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LEU   67  13.78 +/- 0.78   0.137% *  0.0994% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   67  14.13 +/- 1.97   0.215% *  0.0488% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  16.55 +/- 1.49   0.048% *  0.1751% (0.15   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   67  16.74 +/- 1.48   0.047% *  0.1466% (0.13   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  14.04 +/- 0.85   0.119% *  0.0542% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  16.79 +/- 1.31   0.045% *  0.1341% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  18.50 +/- 2.05   0.029% *  0.1523% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  24.77 +/- 1.87   0.004% *  0.9785% (0.86   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  21.46 +/- 1.49   0.011% *  0.3136% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  20.86 +/- 1.37   0.012% *  0.1620% (0.14   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  15.17 +/- 0.92   0.078% *  0.0238% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  16.46 +/- 0.88   0.045% *  0.0391% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  21.13 +/- 0.99   0.010% *  0.0347% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  22.78 +/- 2.12   0.007% *  0.0307% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.24 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :    244
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    184
      with given assignment possibilities    :      0
      with unique volume contribution        :    108
      with multiple volume contributions     :     96
      eliminated by violation filter         :     14
 
    Peaks:
      selected                               :    244
      without assignment                     :     29
      with assignment                        :    215
      with unique assignment                 :    134
      with multiple assignment               :     81
      with reference assignment              :     32
      with identical reference assignment    :     31
      with compatible reference assignment   :      1
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    183
 
    Atoms with eliminated volume contribution > 2.5:
    HZ3   TRP   87       4.0